data_26791 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26791 _Entry.Title ; Backbone 1H, 13C, and 15 N Chemical Shift Assignment for human Langerin CRD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-09 _Entry.Accession_date 2016-05-09 _Entry.Last_release_date 2016-08-30 _Entry.Original_release_date 2016-08-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jonas Hanske . . . . 26791 2 Christoph Rademacher . . . . 26791 3 Peter Schmieder . . . . 26791 4 Marcel Jurk . . . . 26791 5 Martin Ballaschk . . . . 26791 6 Monika Beerbaum . . . . 26791 7 Stevan Aleksic . . . . 26791 8 Bettina Keller . G. . . 26791 9 Elena Shanina . . . . 26791 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Glycobiology Group; Max Planck Institute of Colloids and Interfaces' . 26791 2 . 'NMR Facility; Leibniz Institut fuer molekulare Pharmakolgie' . 26791 3 . 'Freie Universitaet Berlin' . 26791 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26791 coupling_constants 2 26791 heteronucl_NOEs 4 26791 heteronucl_T1_relaxation 4 26791 heteronucl_T2_relaxation 4 26791 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 463 26791 '15N chemical shifts' 150 26791 '1H chemical shifts' 247 26791 'T1 relaxation values' 354 26791 'T2 relaxation values' 354 26791 'coupling constants' 152 26791 'heteronuclear NOE values' 353 26791 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-26 2016-05-09 update BMRB 'update entry citation' 26791 1 . . 2016-08-30 2016-05-09 original author 'original release' 26791 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26791 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27560542 _Citation.Full_citation . _Citation.Title ; An intra-domain allosteric network modulates the Ca2+ affinity in C-type lectin receptor Langerin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 138 _Citation.Journal_issue 37 _Citation.Journal_ASTM JACSAT _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12176 _Citation.Page_last 12186 _Citation.Year 2016 _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 Jonas Hanske . . . . 26791 1 2 Stevan Aleksic . . . . 26791 1 3 Martin Ballaschk . . . . 26791 1 4 Marcel Jurk . . . . 26791 1 5 Elena Shanina . . . . 26791 1 6 Monika Beerbaum . . . . 26791 1 7 Peter Schmieder . . . . 26791 1 8 Bettina Keller . G. . . 26791 1 9 Christoph Rademacher . . . . 26791 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26791 _Assembly.ID 1 _Assembly.Name holo_LangCRD _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17960 _Assembly.Enzyme_commission_number . _Assembly.Details 'Langerin CRD bound to Ca2+' _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 CRD 1 $LangCRD A . yes native no no . . . 26791 1 2 'CALCIUM ION' 2 $entity_CA A . no na no no . . . 26791 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 33 33 SG . 1 . 1 CYS 129 129 SG . . . 223 CYS SG . . . 319 CYS SG 26791 1 2 disulfide single . 1 . 1 CYS 105 105 SG . 1 . 1 CYS 121 121 SG . . . 295 CYS SG . . . 311 CYS SG 26791 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3c22 . . 'X-ray crystallography' 1.5 'Structure of the CRD that is investigated in this study' . 26791 1 yes PDB 3p5f . . 'X-ray crystallography' 1.75 'Structure of the CRD that is investigated in this study' . 26791 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Carbohydrate binding' 26791 1 'Pathogen binding' 26791 1 'Pathogen recognition' 26791 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LangCRD _Entity.Sf_category entity _Entity.Sf_framecode LangCRD _Entity.Entry_ID 26791 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LangCRD _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 ; MAQVVSQGWKYFKGNFYYFS LIPKTWYSAEQFCVSRNSHL TSVTSESEQEFLYKTAGGLI YWIGLTKAGMEGDWSWVDDT PFNKVQSARFWIPGEPNNAG NNEHCGNIKAPSLQAWNDAP CDKTFLFICKRPYVPSEPGS ENLYFQGSAWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'M191 - K347' _Entity.Polymer_author_seq_details ; Residues 329-347 represent a non-native affinity tag This is the extracellular carbohydrate recognition domain of a membrane receptor ; _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 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Langerin carbohydrate recognition domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17960 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 3p5f . 'Langerin CRD' . . . . . . . . . . . . . . 26791 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Calcium binding' 26791 1 'Carbohydrate binding' 26791 1 'Pathogen uptake receptor' 26791 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 1 191 MET . 26791 1 2 192 ALA . 26791 1 3 193 GLN . 26791 1 4 194 VAL . 26791 1 5 195 VAL . 26791 1 6 196 SER . 26791 1 7 197 GLN . 26791 1 8 198 GLY . 26791 1 9 199 TRP . 26791 1 10 200 LYS . 26791 1 11 201 TYR . 26791 1 12 202 PHE . 26791 1 13 203 LYS . 26791 1 14 204 GLY . 26791 1 15 205 ASN . 26791 1 16 206 PHE . 26791 1 17 207 TYR . 26791 1 18 208 TYR . 26791 1 19 209 PHE . 26791 1 20 210 SER . 26791 1 21 211 LEU . 26791 1 22 212 ILE . 26791 1 23 213 PRO . 26791 1 24 214 LYS . 26791 1 25 215 THR . 26791 1 26 216 TRP . 26791 1 27 217 TYR . 26791 1 28 218 SER . 26791 1 29 219 ALA . 26791 1 30 220 GLU . 26791 1 31 221 GLN . 26791 1 32 222 PHE . 26791 1 33 223 CYS . 26791 1 34 224 VAL . 26791 1 35 225 SER . 26791 1 36 226 ARG . 26791 1 37 227 ASN . 26791 1 38 228 SER . 26791 1 39 229 HIS . 26791 1 40 230 LEU . 26791 1 41 231 THR . 26791 1 42 232 SER . 26791 1 43 233 VAL . 26791 1 44 234 THR . 26791 1 45 235 SER . 26791 1 46 236 GLU . 26791 1 47 237 SER . 26791 1 48 238 GLU . 26791 1 49 239 GLN . 26791 1 50 240 GLU . 26791 1 51 241 PHE . 26791 1 52 242 LEU . 26791 1 53 243 TYR . 26791 1 54 244 LYS . 26791 1 55 245 THR . 26791 1 56 246 ALA . 26791 1 57 247 GLY . 26791 1 58 248 GLY . 26791 1 59 249 LEU . 26791 1 60 250 ILE . 26791 1 61 251 TYR . 26791 1 62 252 TRP . 26791 1 63 253 ILE . 26791 1 64 254 GLY . 26791 1 65 255 LEU . 26791 1 66 256 THR . 26791 1 67 257 LYS . 26791 1 68 258 ALA . 26791 1 69 259 GLY . 26791 1 70 260 MET . 26791 1 71 261 GLU . 26791 1 72 262 GLY . 26791 1 73 263 ASP . 26791 1 74 264 TRP . 26791 1 75 265 SER . 26791 1 76 266 TRP . 26791 1 77 267 VAL . 26791 1 78 268 ASP . 26791 1 79 269 ASP . 26791 1 80 270 THR . 26791 1 81 271 PRO . 26791 1 82 272 PHE . 26791 1 83 273 ASN . 26791 1 84 274 LYS . 26791 1 85 275 VAL . 26791 1 86 276 GLN . 26791 1 87 277 SER . 26791 1 88 278 ALA . 26791 1 89 279 ARG . 26791 1 90 280 PHE . 26791 1 91 281 TRP . 26791 1 92 282 ILE . 26791 1 93 283 PRO . 26791 1 94 284 GLY . 26791 1 95 285 GLU . 26791 1 96 286 PRO . 26791 1 97 287 ASN . 26791 1 98 288 ASN . 26791 1 99 289 ALA . 26791 1 100 290 GLY . 26791 1 101 291 ASN . 26791 1 102 292 ASN . 26791 1 103 293 GLU . 26791 1 104 294 HIS . 26791 1 105 295 CYS . 26791 1 106 296 GLY . 26791 1 107 297 ASN . 26791 1 108 298 ILE . 26791 1 109 299 LYS . 26791 1 110 300 ALA . 26791 1 111 301 PRO . 26791 1 112 302 SER . 26791 1 113 303 LEU . 26791 1 114 304 GLN . 26791 1 115 305 ALA . 26791 1 116 306 TRP . 26791 1 117 307 ASN . 26791 1 118 308 ASP . 26791 1 119 309 ALA . 26791 1 120 310 PRO . 26791 1 121 311 CYS . 26791 1 122 312 ASP . 26791 1 123 313 LYS . 26791 1 124 314 THR . 26791 1 125 315 PHE . 26791 1 126 316 LEU . 26791 1 127 317 PHE . 26791 1 128 318 ILE . 26791 1 129 319 CYS . 26791 1 130 320 LYS . 26791 1 131 321 ARG . 26791 1 132 322 PRO . 26791 1 133 323 TYR . 26791 1 134 324 VAL . 26791 1 135 325 PRO . 26791 1 136 326 SER . 26791 1 137 327 GLU . 26791 1 138 328 PRO . 26791 1 139 329 GLY . 26791 1 140 330 SER . 26791 1 141 331 GLU . 26791 1 142 332 ASN . 26791 1 143 333 LEU . 26791 1 144 334 TYR . 26791 1 145 335 PHE . 26791 1 146 336 GLN . 26791 1 147 337 GLY . 26791 1 148 338 SER . 26791 1 149 339 ALA . 26791 1 150 340 TRP . 26791 1 151 341 SER . 26791 1 152 342 HIS . 26791 1 153 343 PRO . 26791 1 154 344 GLN . 26791 1 155 345 PHE . 26791 1 156 346 GLU . 26791 1 157 347 LYS . 26791 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 26791 1 . ALA 2 2 26791 1 . GLN 3 3 26791 1 . VAL 4 4 26791 1 . VAL 5 5 26791 1 . SER 6 6 26791 1 . GLN 7 7 26791 1 . GLY 8 8 26791 1 . TRP 9 9 26791 1 . LYS 10 10 26791 1 . TYR 11 11 26791 1 . PHE 12 12 26791 1 . LYS 13 13 26791 1 . GLY 14 14 26791 1 . ASN 15 15 26791 1 . PHE 16 16 26791 1 . TYR 17 17 26791 1 . TYR 18 18 26791 1 . PHE 19 19 26791 1 . SER 20 20 26791 1 . LEU 21 21 26791 1 . ILE 22 22 26791 1 . PRO 23 23 26791 1 . LYS 24 24 26791 1 . THR 25 25 26791 1 . TRP 26 26 26791 1 . TYR 27 27 26791 1 . SER 28 28 26791 1 . ALA 29 29 26791 1 . GLU 30 30 26791 1 . GLN 31 31 26791 1 . PHE 32 32 26791 1 . CYS 33 33 26791 1 . VAL 34 34 26791 1 . SER 35 35 26791 1 . ARG 36 36 26791 1 . ASN 37 37 26791 1 . SER 38 38 26791 1 . HIS 39 39 26791 1 . LEU 40 40 26791 1 . THR 41 41 26791 1 . SER 42 42 26791 1 . VAL 43 43 26791 1 . THR 44 44 26791 1 . SER 45 45 26791 1 . GLU 46 46 26791 1 . SER 47 47 26791 1 . GLU 48 48 26791 1 . GLN 49 49 26791 1 . GLU 50 50 26791 1 . PHE 51 51 26791 1 . LEU 52 52 26791 1 . TYR 53 53 26791 1 . LYS 54 54 26791 1 . THR 55 55 26791 1 . ALA 56 56 26791 1 . GLY 57 57 26791 1 . GLY 58 58 26791 1 . LEU 59 59 26791 1 . ILE 60 60 26791 1 . TYR 61 61 26791 1 . TRP 62 62 26791 1 . ILE 63 63 26791 1 . GLY 64 64 26791 1 . LEU 65 65 26791 1 . THR 66 66 26791 1 . LYS 67 67 26791 1 . ALA 68 68 26791 1 . GLY 69 69 26791 1 . MET 70 70 26791 1 . GLU 71 71 26791 1 . GLY 72 72 26791 1 . ASP 73 73 26791 1 . TRP 74 74 26791 1 . SER 75 75 26791 1 . TRP 76 76 26791 1 . VAL 77 77 26791 1 . ASP 78 78 26791 1 . ASP 79 79 26791 1 . THR 80 80 26791 1 . PRO 81 81 26791 1 . PHE 82 82 26791 1 . ASN 83 83 26791 1 . LYS 84 84 26791 1 . VAL 85 85 26791 1 . GLN 86 86 26791 1 . SER 87 87 26791 1 . ALA 88 88 26791 1 . ARG 89 89 26791 1 . PHE 90 90 26791 1 . TRP 91 91 26791 1 . ILE 92 92 26791 1 . PRO 93 93 26791 1 . GLY 94 94 26791 1 . GLU 95 95 26791 1 . PRO 96 96 26791 1 . ASN 97 97 26791 1 . ASN 98 98 26791 1 . ALA 99 99 26791 1 . GLY 100 100 26791 1 . ASN 101 101 26791 1 . ASN 102 102 26791 1 . GLU 103 103 26791 1 . HIS 104 104 26791 1 . CYS 105 105 26791 1 . GLY 106 106 26791 1 . ASN 107 107 26791 1 . ILE 108 108 26791 1 . LYS 109 109 26791 1 . ALA 110 110 26791 1 . PRO 111 111 26791 1 . SER 112 112 26791 1 . LEU 113 113 26791 1 . GLN 114 114 26791 1 . ALA 115 115 26791 1 . TRP 116 116 26791 1 . ASN 117 117 26791 1 . ASP 118 118 26791 1 . ALA 119 119 26791 1 . PRO 120 120 26791 1 . CYS 121 121 26791 1 . ASP 122 122 26791 1 . LYS 123 123 26791 1 . THR 124 124 26791 1 . PHE 125 125 26791 1 . LEU 126 126 26791 1 . PHE 127 127 26791 1 . ILE 128 128 26791 1 . CYS 129 129 26791 1 . LYS 130 130 26791 1 . ARG 131 131 26791 1 . PRO 132 132 26791 1 . TYR 133 133 26791 1 . VAL 134 134 26791 1 . PRO 135 135 26791 1 . SER 136 136 26791 1 . GLU 137 137 26791 1 . PRO 138 138 26791 1 . GLY 139 139 26791 1 . SER 140 140 26791 1 . GLU 141 141 26791 1 . ASN 142 142 26791 1 . LEU 143 143 26791 1 . TYR 144 144 26791 1 . PHE 145 145 26791 1 . GLN 146 146 26791 1 . GLY 147 147 26791 1 . SER 148 148 26791 1 . ALA 149 149 26791 1 . TRP 150 150 26791 1 . SER 151 151 26791 1 . HIS 152 152 26791 1 . PRO 153 153 26791 1 . GLN 154 154 26791 1 . PHE 155 155 26791 1 . GLU 156 156 26791 1 . LYS 157 157 26791 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 26791 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 26791 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 26791 2 CA 'Three letter code' 26791 2 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 1 CA $chem_comp_CA 26791 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26791 _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 $LangCRD . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CD207 . 26791 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26791 _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 $LangCRD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pET30a . . . 26791 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 26791 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 26791 CA InChI=1S/Ca/q+2 InChI InChI 1.03 26791 CA [Ca++] SMILES CACTVS 3.341 26791 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 26791 CA [Ca+2] SMILES ACDLabs 10.04 26791 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 26791 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26791 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 26791 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26791 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 26791 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_holo_LangCRD _Sample.Sf_category sample _Sample.Sf_framecode holo_LangCRD _Sample.Entry_ID 26791 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LangCRD '[U-99% 13C; U-99% 15N]' . . 1 $LangCRD . . 350 . . uM 50 . . . 26791 1 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 26791 1 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 26791 1 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26791 1 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 26791 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26791 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26791 1 stop_ save_ save_assignment_LangCRD _Sample.Sf_category sample _Sample.Sf_framecode assignment_LangCRD _Sample.Entry_ID 26791 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LangCRD '[U-99% 13C; U-99% 15N]' . . 1 $LangCRD . . 350 . . uM 50 . . . 26791 2 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 26791 2 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 26791 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26791 2 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 26791 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26791 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26791 2 stop_ save_ save_apo_LangCRD _Sample.Sf_category sample _Sample.Sf_framecode apo_LangCRD _Sample.Entry_ID 26791 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LangCRD '[U-99% 13C; U-99% 15N]' . . 1 $LangCRD . . 350 . . uM 50 . . . 26791 3 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 26791 3 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 26791 3 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 26791 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26791 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26791 3 stop_ save_ ####################### # Sample conditions # ####################### save_assignment_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode assignment_conditions _Sample_condition_list.Entry_ID 26791 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.06 0.01 M 26791 1 pH 6 0.2 pH 26791 1 pressure 1 . atm 26791 1 temperature 299 1 K 26791 1 stop_ save_ save_holo_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode holo_conditions _Sample_condition_list.Entry_ID 26791 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.08 0.01 M 26791 2 pH 6 0.2 pH 26791 2 pressure 1 . atm 26791 2 temperature 299 1 K 26791 2 stop_ save_ save_apo_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode apo_conditions _Sample_condition_list.Entry_ID 26791 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.01 M 26791 3 pH 6 0.2 pH 26791 3 pressure 1 . atm 26791 3 temperature 299 1 K 26791 3 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26791 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26791 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26791 1 'peak picking' 26791 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26791 _Software.ID 2 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26791 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26791 2 'chemical shift calculation' 26791 2 'peak picking' 26791 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26791 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26791 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26791 3 processing 26791 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26791 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26791 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26791 4 stop_ save_ save_relax _Software.Sf_category software _Software.Sf_framecode relax _Software.Entry_ID 26791 _Software.ID 5 _Software.Type . _Software.Name relax _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "d'Auvergne Gooley" . . 26791 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26791 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26791 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26791 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26791 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 600 . . . 26791 1 2 spectrometer_2 Bruker 'Avance II' . 750 . . . 26791 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26791 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $assignment_LangCRD isotropic . . 1 $assignment_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 2 '3D HNCO' no . . . . . . . . . . 2 $assignment_LangCRD isotropic . . 1 $assignment_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 3 '3D HNCA' no . . . . . . . . . . 2 $assignment_LangCRD isotropic . . 1 $assignment_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 4 '3D HNCACB' no . . . . . . . . . . 2 $assignment_LangCRD isotropic . . 1 $assignment_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $assignment_LangCRD isotropic . . 1 $assignment_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 6 '3D HNHA' no . . . . . . . . . . 1 $holo_LangCRD isotropic . . 2 $holo_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $assignment_LangCRD isotropic . . 1 $assignment_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $assignment_LangCRD isotropic . . 1 $assignment_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $assignment_LangCRD isotropic . . 1 $assignment_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 10 '2D CON' no . . . . . . . . . . 2 $assignment_LangCRD isotropic . . 1 $assignment_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 11 '3D HNHA' no . . . . . . . . . . 3 $apo_LangCRD isotropic . . 3 $apo_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 12 '2D 1H-15N HSQC R1' no . . . . . . . . . . 1 $holo_LangCRD isotropic . . 2 $holo_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 13 '2D 1H-15N HSQC R2' no . . . . . . . . . . 1 $holo_LangCRD isotropic . . 2 $holo_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 14 '2D 1H-15N HSQC hNOE' no . . . . . . . . . . 1 $holo_LangCRD isotropic . . 2 $holo_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 15 '2D 1H-15N HSQC R1' no . . . . . . . . . . 1 $holo_LangCRD isotropic . . 2 $holo_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26791 1 16 '2D 1H-15N HSQC R2' no . . . . . . . . . . 1 $holo_LangCRD isotropic . . 2 $holo_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26791 1 17 '2D 1H-15N HSQC hNOE' no . . . . . . . . . . 1 $holo_LangCRD isotropic . . 2 $holo_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26791 1 18 '2D 1H-15N HSQC R1' no . . . . . . . . . . 3 $apo_LangCRD isotropic . . 3 $apo_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26791 1 19 '2D 1H-15N HSQC R2' no . . . . . . . . . . 3 $apo_LangCRD isotropic . . 3 $apo_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26791 1 20 '2D 1H-15N HSQC hNOE' no . . . . . . . . . . 3 $apo_LangCRD isotropic . . 3 $apo_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26791 1 21 '2D 1H-15N HSQC R1' no . . . . . . . . . . 3 $apo_LangCRD isotropic . . 3 $apo_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 22 '2D 1H-15N HSQC R2' no . . . . . . . . . . 3 $apo_LangCRD isotropic . . 3 $apo_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 23 '2D 1H-15N HSQC hNOE' no . . . . . . . . . . 3 $apo_LangCRD isotropic . . 3 $apo_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26791 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 26791 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26791 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26791 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26791 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_holo_LangCRD_assigned _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode holo_LangCRD_assigned _Assigned_chem_shift_list.Entry_ID 26791 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $assignment_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26791 1 2 '3D HNCO' . . . 26791 1 3 '3D HNCA' . . . 26791 1 4 '3D HNCACB' . . . 26791 1 5 '3D HN(CO)CA' . . . 26791 1 7 '3D CBCA(CO)NH' . . . 26791 1 8 '3D 1H-15N NOESY' . . . 26791 1 9 '3D C(CO)NH' . . . 26791 1 10 '2D CON' . . . 26791 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CcpNmr_Analysis . . 26791 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN C C 13 175.693 0.012 . 1 . . . . . 193 Gln C . 26791 1 2 . 1 1 3 3 GLN CA C 13 55.765 0.010 . 1 . . . . . 193 Gln CA . 26791 1 3 . 1 1 3 3 GLN CB C 13 29.780 0.007 . 1 . . . . . 193 Gln CB . 26791 1 4 . 1 1 4 4 VAL H H 1 8.447 0.012 . 1 . . . . . 194 Val H . 26791 1 5 . 1 1 4 4 VAL HA H 1 4.173 0.013 . 1 . . . . . 194 Val HA . 26791 1 6 . 1 1 4 4 VAL C C 13 176.126 0.071 . 1 . . . . . 194 Val C . 26791 1 7 . 1 1 4 4 VAL CA C 13 62.464 0.010 . 1 . . . . . 194 Val CA . 26791 1 8 . 1 1 4 4 VAL CB C 13 32.857 0.034 . 1 . . . . . 194 Val CB . 26791 1 9 . 1 1 4 4 VAL N N 15 123.294 0.152 . 1 . . . . . 194 Val N . 26791 1 10 . 1 1 5 5 VAL H H 1 8.368 0.005 . 1 . . . . . 195 Val H . 26791 1 11 . 1 1 5 5 VAL HA H 1 4.223 0.022 . 1 . . . . . 195 Val HA . 26791 1 12 . 1 1 5 5 VAL C C 13 176.075 0.013 . 1 . . . . . 195 Val C . 26791 1 13 . 1 1 5 5 VAL CA C 13 62.232 0.031 . 1 . . . . . 195 Val CA . 26791 1 14 . 1 1 5 5 VAL CB C 13 33.014 0.019 . 1 . . . . . 195 Val CB . 26791 1 15 . 1 1 5 5 VAL N N 15 124.572 0.163 . 1 . . . . . 195 Val N . 26791 1 16 . 1 1 6 6 SER H H 1 8.492 0.004 . 1 . . . . . 196 Ser H . 26791 1 17 . 1 1 6 6 SER HA H 1 4.476 0.000 . 1 . . . . . 196 Ser HA . 26791 1 18 . 1 1 6 6 SER C C 13 174.203 0.029 . 1 . . . . . 196 Ser C . 26791 1 19 . 1 1 6 6 SER CA C 13 58.287 0.020 . 1 . . . . . 196 Ser CA . 26791 1 20 . 1 1 6 6 SER CB C 13 63.986 0.038 . 1 . . . . . 196 Ser CB . 26791 1 21 . 1 1 6 6 SER N N 15 120.090 0.124 . 1 . . . . . 196 Ser N . 26791 1 22 . 1 1 7 7 GLN H H 1 8.549 0.015 . 1 . . . . . 197 Gln H . 26791 1 23 . 1 1 7 7 GLN HA H 1 4.505 0.008 . 1 . . . . . 197 Gln HA . 26791 1 24 . 1 1 7 7 GLN HE21 H 1 7.585 0.004 . 1 . . . . . 197 Gln HE21 . 26791 1 25 . 1 1 7 7 GLN HE22 H 1 6.904 0.004 . 1 . . . . . 197 Gln HE22 . 26791 1 26 . 1 1 7 7 GLN C C 13 176.284 0.053 . 1 . . . . . 197 Gln C . 26791 1 27 . 1 1 7 7 GLN CA C 13 56.397 0.041 . 1 . . . . . 197 Gln CA . 26791 1 28 . 1 1 7 7 GLN CB C 13 29.676 0.062 . 1 . . . . . 197 Gln CB . 26791 1 29 . 1 1 7 7 GLN CG C 13 33.771 0.048 . 1 . . . . . 197 Gln CG . 26791 1 30 . 1 1 7 7 GLN CD C 13 180.452 0.003 . 1 . . . . . 197 Gln CD . 26791 1 31 . 1 1 7 7 GLN N N 15 122.883 0.074 . 1 . . . . . 197 Gln N . 26791 1 32 . 1 1 7 7 GLN NE2 N 15 112.367 0.014 . 1 . . . . . 197 Gln NE2 . 26791 1 33 . 1 1 8 8 GLY H H 1 8.682 0.015 . 1 . . . . . 198 Gly H . 26791 1 34 . 1 1 8 8 GLY HA2 H 1 4.050 0.014 . 2 . . . . . 198 Gly HA2 . 26791 1 35 . 1 1 8 8 GLY HA3 H 1 4.311 0.013 . 2 . . . . . 198 Gly HA3 . 26791 1 36 . 1 1 8 8 GLY C C 13 174.093 0.097 . 1 . . . . . 198 Gly C . 26791 1 37 . 1 1 8 8 GLY CA C 13 45.366 0.022 . 1 . . . . . 198 Gly CA . 26791 1 38 . 1 1 8 8 GLY N N 15 110.553 0.155 . 1 . . . . . 198 Gly N . 26791 1 39 . 1 1 9 9 TRP H H 1 8.601 0.012 . 1 . . . . . 199 Trp H . 26791 1 40 . 1 1 9 9 TRP HA H 1 5.258 0.004 . 1 . . . . . 199 Trp HA . 26791 1 41 . 1 1 9 9 TRP C C 13 176.686 0.173 . 1 . . . . . 199 Trp C . 26791 1 42 . 1 1 9 9 TRP CA C 13 57.426 0.028 . 1 . . . . . 199 Trp CA . 26791 1 43 . 1 1 9 9 TRP CB C 13 30.056 0.061 . 1 . . . . . 199 Trp CB . 26791 1 44 . 1 1 9 9 TRP N N 15 121.243 0.100 . 1 . . . . . 199 Trp N . 26791 1 45 . 1 1 10 10 LYS H H 1 10.296 0.005 . 1 . . . . . 200 Lys H . 26791 1 46 . 1 1 10 10 LYS HA H 1 5.087 0.000 . 1 . . . . . 200 Lys HA . 26791 1 47 . 1 1 10 10 LYS C C 13 175.940 0.024 . 1 . . . . . 200 Lys C . 26791 1 48 . 1 1 10 10 LYS CA C 13 55.438 0.019 . 1 . . . . . 200 Lys CA . 26791 1 49 . 1 1 10 10 LYS CB C 13 36.021 0.035 . 1 . . . . . 200 Lys CB . 26791 1 50 . 1 1 10 10 LYS N N 15 123.780 0.164 . 1 . . . . . 200 Lys N . 26791 1 51 . 1 1 11 11 TYR H H 1 9.200 0.010 . 1 . . . . . 201 Tyr H . 26791 1 52 . 1 1 11 11 TYR HA H 1 5.072 0.005 . 1 . . . . . 201 Tyr HA . 26791 1 53 . 1 1 11 11 TYR C C 13 175.242 0.027 . 1 . . . . . 201 Tyr C . 26791 1 54 . 1 1 11 11 TYR CA C 13 57.813 0.037 . 1 . . . . . 201 Tyr CA . 26791 1 55 . 1 1 11 11 TYR CB C 13 40.487 0.082 . 1 . . . . . 201 Tyr CB . 26791 1 56 . 1 1 11 11 TYR N N 15 125.086 0.053 . 1 . . . . . 201 Tyr N . 26791 1 57 . 1 1 12 12 PHE H H 1 8.611 0.004 . 1 . . . . . 202 Phe H . 26791 1 58 . 1 1 12 12 PHE HA H 1 3.910 0.001 . 1 . . . . . 202 Phe HA . 26791 1 59 . 1 1 12 12 PHE C C 13 173.843 0.014 . 1 . . . . . 202 Phe C . 26791 1 60 . 1 1 12 12 PHE CA C 13 58.842 0.064 . 1 . . . . . 202 Phe CA . 26791 1 61 . 1 1 12 12 PHE CB C 13 40.405 0.094 . 1 . . . . . 202 Phe CB . 26791 1 62 . 1 1 12 12 PHE N N 15 127.456 0.038 . 1 . . . . . 202 Phe N . 26791 1 63 . 1 1 13 13 LYS H H 1 8.557 0.005 . 1 . . . . . 203 Lys H . 26791 1 64 . 1 1 13 13 LYS HA H 1 3.323 0.011 . 1 . . . . . 203 Lys HA . 26791 1 65 . 1 1 13 13 LYS C C 13 175.021 0.008 . 1 . . . . . 203 Lys C . 26791 1 66 . 1 1 13 13 LYS CA C 13 57.027 0.035 . 1 . . . . . 203 Lys CA . 26791 1 67 . 1 1 13 13 LYS CB C 13 31.806 0.000 . 1 . . . . . 203 Lys CB . 26791 1 68 . 1 1 13 13 LYS CG C 13 24.727 0.000 . 1 . . . . . 203 Lys CG . 26791 1 69 . 1 1 13 13 LYS CD C 13 29.210 0.000 . 1 . . . . . 203 Lys CD . 26791 1 70 . 1 1 13 13 LYS CE C 13 41.996 0.000 . 1 . . . . . 203 Lys CE . 26791 1 71 . 1 1 13 13 LYS N N 15 127.963 0.045 . 1 . . . . . 203 Lys N . 26791 1 72 . 1 1 14 14 GLY H H 1 6.453 0.016 . 1 . . . . . 204 Gly H . 26791 1 73 . 1 1 14 14 GLY HA2 H 1 3.713 0.006 . 1 . . . . . 204 Gly HA2 . 26791 1 74 . 1 1 14 14 GLY C C 13 173.037 0.009 . 1 . . . . . 204 Gly C . 26791 1 75 . 1 1 14 14 GLY CA C 13 45.675 0.061 . 1 . . . . . 204 Gly CA . 26791 1 76 . 1 1 14 14 GLY N N 15 101.528 0.055 . 1 . . . . . 204 Gly N . 26791 1 77 . 1 1 15 15 ASN H H 1 7.494 0.008 . 1 . . . . . 205 Asn H . 26791 1 78 . 1 1 15 15 ASN HA H 1 5.240 0.025 . 1 . . . . . 205 Asn HA . 26791 1 79 . 1 1 15 15 ASN C C 13 171.014 0.017 . 1 . . . . . 205 Asn C . 26791 1 80 . 1 1 15 15 ASN CA C 13 52.345 0.038 . 1 . . . . . 205 Asn CA . 26791 1 81 . 1 1 15 15 ASN CB C 13 44.089 0.030 . 1 . . . . . 205 Asn CB . 26791 1 82 . 1 1 15 15 ASN N N 15 117.885 0.030 . 1 . . . . . 205 Asn N . 26791 1 83 . 1 1 16 16 PHE H H 1 9.396 0.011 . 1 . . . . . 206 Phe H . 26791 1 84 . 1 1 16 16 PHE HA H 1 5.789 0.016 . 1 . . . . . 206 Phe HA . 26791 1 85 . 1 1 16 16 PHE C C 13 175.654 0.025 . 1 . . . . . 206 Phe C . 26791 1 86 . 1 1 16 16 PHE CA C 13 56.740 0.066 . 1 . . . . . 206 Phe CA . 26791 1 87 . 1 1 16 16 PHE CB C 13 42.911 0.078 . 1 . . . . . 206 Phe CB . 26791 1 88 . 1 1 16 16 PHE N N 15 117.653 0.031 . 1 . . . . . 206 Phe N . 26791 1 89 . 1 1 17 17 TYR H H 1 10.114 0.006 . 1 . . . . . 207 Tyr H . 26791 1 90 . 1 1 17 17 TYR HA H 1 6.022 0.022 . 1 . . . . . 207 Tyr HA . 26791 1 91 . 1 1 17 17 TYR C C 13 175.084 0.028 . 1 . . . . . 207 Tyr C . 26791 1 92 . 1 1 17 17 TYR CA C 13 56.961 0.066 . 1 . . . . . 207 Tyr CA . 26791 1 93 . 1 1 17 17 TYR CB C 13 43.425 0.060 . 1 . . . . . 207 Tyr CB . 26791 1 94 . 1 1 17 17 TYR N N 15 119.034 0.038 . 1 . . . . . 207 Tyr N . 26791 1 95 . 1 1 18 18 TYR H H 1 9.093 0.006 . 1 . . . . . 208 Tyr H . 26791 1 96 . 1 1 18 18 TYR HA H 1 4.437 0.007 . 1 . . . . . 208 Tyr HA . 26791 1 97 . 1 1 18 18 TYR C C 13 173.075 0.018 . 1 . . . . . 208 Tyr C . 26791 1 98 . 1 1 18 18 TYR CA C 13 55.955 0.063 . 1 . . . . . 208 Tyr CA . 26791 1 99 . 1 1 18 18 TYR CB C 13 39.450 0.055 . 1 . . . . . 208 Tyr CB . 26791 1 100 . 1 1 18 18 TYR N N 15 126.493 0.042 . 1 . . . . . 208 Tyr N . 26791 1 101 . 1 1 19 19 PHE H H 1 8.404 0.007 . 1 . . . . . 209 Phe H . 26791 1 102 . 1 1 19 19 PHE HA H 1 4.326 0.000 . 1 . . . . . 209 Phe HA . 26791 1 103 . 1 1 19 19 PHE C C 13 174.738 0.010 . 1 . . . . . 209 Phe C . 26791 1 104 . 1 1 19 19 PHE CA C 13 56.145 0.035 . 1 . . . . . 209 Phe CA . 26791 1 105 . 1 1 19 19 PHE CB C 13 38.034 0.106 . 1 . . . . . 209 Phe CB . 26791 1 106 . 1 1 19 19 PHE N N 15 128.331 0.044 . 1 . . . . . 209 Phe N . 26791 1 107 . 1 1 20 20 SER H H 1 8.667 0.006 . 1 . . . . . 210 Ser H . 26791 1 108 . 1 1 20 20 SER C C 13 172.022 0.014 . 1 . . . . . 210 Ser C . 26791 1 109 . 1 1 20 20 SER CA C 13 58.918 0.047 . 1 . . . . . 210 Ser CA . 26791 1 110 . 1 1 20 20 SER CB C 13 64.095 0.043 . 1 . . . . . 210 Ser CB . 26791 1 111 . 1 1 20 20 SER N N 15 119.631 0.041 . 1 . . . . . 210 Ser N . 26791 1 112 . 1 1 21 21 LEU H H 1 8.505 0.008 . 1 . . . . . 211 Leu H . 26791 1 113 . 1 1 21 21 LEU HA H 1 4.518 0.007 . 1 . . . . . 211 Leu HA . 26791 1 114 . 1 1 21 21 LEU C C 13 177.411 0.022 . 1 . . . . . 211 Leu C . 26791 1 115 . 1 1 21 21 LEU CA C 13 54.536 0.019 . 1 . . . . . 211 Leu CA . 26791 1 116 . 1 1 21 21 LEU CB C 13 43.331 0.054 . 1 . . . . . 211 Leu CB . 26791 1 117 . 1 1 21 21 LEU N N 15 116.236 0.073 . 1 . . . . . 211 Leu N . 26791 1 118 . 1 1 22 22 ILE H H 1 7.138 0.006 . 1 . . . . . 212 Ile H . 26791 1 119 . 1 1 22 22 ILE HA H 1 4.790 0.003 . 1 . . . . . 212 Ile HA . 26791 1 120 . 1 1 22 22 ILE C C 13 174.058 0.020 . 1 . . . . . 212 Ile C . 26791 1 121 . 1 1 22 22 ILE CA C 13 56.453 0.008 . 1 . . . . . 212 Ile CA . 26791 1 122 . 1 1 22 22 ILE CB C 13 40.840 0.000 . 1 . . . . . 212 Ile CB . 26791 1 123 . 1 1 22 22 ILE N N 15 116.359 0.040 . 1 . . . . . 212 Ile N . 26791 1 124 . 1 1 23 23 PRO C C 13 176.526 0.048 . 1 . . . . . 213 Pro C . 26791 1 125 . 1 1 23 23 PRO CA C 13 61.454 0.009 . 1 . . . . . 213 Pro CA . 26791 1 126 . 1 1 23 23 PRO CB C 13 32.270 0.053 . 1 . . . . . 213 Pro CB . 26791 1 127 . 1 1 23 23 PRO CG C 13 26.553 0.000 . 1 . . . . . 213 Pro CG . 26791 1 128 . 1 1 23 23 PRO CD C 13 51.233 0.000 . 1 . . . . . 213 Pro CD . 26791 1 129 . 1 1 23 23 PRO N N 15 137.728 0.000 . 1 . . . . . 213 Pro N . 26791 1 130 . 1 1 24 24 LYS H H 1 9.327 0.003 . 1 . . . . . 214 Lys H . 26791 1 131 . 1 1 24 24 LYS HA H 1 4.905 0.044 . 1 . . . . . 214 Lys HA . 26791 1 132 . 1 1 24 24 LYS C C 13 177.384 0.007 . 1 . . . . . 214 Lys C . 26791 1 133 . 1 1 24 24 LYS CA C 13 55.586 0.080 . 1 . . . . . 214 Lys CA . 26791 1 134 . 1 1 24 24 LYS CB C 13 41.351 0.027 . 1 . . . . . 214 Lys CB . 26791 1 135 . 1 1 24 24 LYS N N 15 120.489 0.039 . 1 . . . . . 214 Lys N . 26791 1 136 . 1 1 25 25 THR H H 1 8.451 0.006 . 1 . . . . . 215 Thr H . 26791 1 137 . 1 1 25 25 THR HA H 1 5.526 0.005 . 1 . . . . . 215 Thr HA . 26791 1 138 . 1 1 25 25 THR C C 13 174.386 0.030 . 1 . . . . . 215 Thr C . 26791 1 139 . 1 1 25 25 THR CA C 13 61.878 0.073 . 1 . . . . . 215 Thr CA . 26791 1 140 . 1 1 25 25 THR CB C 13 70.976 0.024 . 1 . . . . . 215 Thr CB . 26791 1 141 . 1 1 25 25 THR N N 15 112.463 0.042 . 1 . . . . . 215 Thr N . 26791 1 142 . 1 1 26 26 TRP H H 1 8.404 0.019 . 1 . . . . . 216 Trp H . 26791 1 143 . 1 1 26 26 TRP C C 13 177.288 0.017 . 1 . . . . . 216 Trp C . 26791 1 144 . 1 1 26 26 TRP CA C 13 63.436 0.025 . 1 . . . . . 216 Trp CA . 26791 1 145 . 1 1 26 26 TRP CB C 13 30.697 0.000 . 1 . . . . . 216 Trp CB . 26791 1 146 . 1 1 26 26 TRP N N 15 122.462 0.173 . 1 . . . . . 216 Trp N . 26791 1 147 . 1 1 27 27 TYR H H 1 7.339 0.009 . 1 . . . . . 217 Tyr H . 26791 1 148 . 1 1 27 27 TYR C C 13 179.256 0.035 . 1 . . . . . 217 Tyr C . 26791 1 149 . 1 1 27 27 TYR CA C 13 60.686 0.055 . 1 . . . . . 217 Tyr CA . 26791 1 150 . 1 1 27 27 TYR CB C 13 38.659 0.000 . 1 . . . . . 217 Tyr CB . 26791 1 151 . 1 1 27 27 TYR N N 15 110.875 0.032 . 1 . . . . . 217 Tyr N . 26791 1 152 . 1 1 28 28 SER H H 1 7.795 0.009 . 1 . . . . . 218 Ser H . 26791 1 153 . 1 1 28 28 SER HA H 1 4.275 0.000 . 1 . . . . . 218 Ser HA . 26791 1 154 . 1 1 28 28 SER C C 13 176.974 0.018 . 1 . . . . . 218 Ser C . 26791 1 155 . 1 1 28 28 SER CA C 13 61.248 0.059 . 1 . . . . . 218 Ser CA . 26791 1 156 . 1 1 28 28 SER CB C 13 63.207 0.071 . 1 . . . . . 218 Ser CB . 26791 1 157 . 1 1 28 28 SER N N 15 115.214 0.041 . 1 . . . . . 218 Ser N . 26791 1 158 . 1 1 29 29 ALA H H 1 8.823 0.004 . 1 . . . . . 219 Ala H . 26791 1 159 . 1 1 29 29 ALA HA H 1 2.850 0.022 . 1 . . . . . 219 Ala HA . 26791 1 160 . 1 1 29 29 ALA C C 13 177.199 0.018 . 1 . . . . . 219 Ala C . 26791 1 161 . 1 1 29 29 ALA CA C 13 55.030 0.032 . 1 . . . . . 219 Ala CA . 26791 1 162 . 1 1 29 29 ALA CB C 13 19.230 0.028 . 1 . . . . . 219 Ala CB . 26791 1 163 . 1 1 29 29 ALA N N 15 128.473 0.035 . 1 . . . . . 219 Ala N . 26791 1 164 . 1 1 30 30 GLU H H 1 7.770 0.005 . 1 . . . . . 220 Glu H . 26791 1 165 . 1 1 30 30 GLU C C 13 178.577 0.022 . 1 . . . . . 220 Glu C . 26791 1 166 . 1 1 30 30 GLU CA C 13 58.264 0.017 . 1 . . . . . 220 Glu CA . 26791 1 167 . 1 1 30 30 GLU CB C 13 26.647 0.083 . 1 . . . . . 220 Glu CB . 26791 1 168 . 1 1 30 30 GLU N N 15 118.582 0.034 . 1 . . . . . 220 Glu N . 26791 1 169 . 1 1 31 31 GLN H H 1 7.715 0.008 . 1 . . . . . 221 Gln H . 26791 1 170 . 1 1 31 31 GLN HA H 1 3.774 0.000 . 1 . . . . . 221 Gln HA . 26791 1 171 . 1 1 31 31 GLN HE21 H 1 7.393 0.007 . 1 . . . . . 221 Gln HE21 . 26791 1 172 . 1 1 31 31 GLN C C 13 179.120 0.016 . 1 . . . . . 221 Gln C . 26791 1 173 . 1 1 31 31 GLN CA C 13 59.065 0.018 . 1 . . . . . 221 Gln CA . 26791 1 174 . 1 1 31 31 GLN CB C 13 28.108 0.049 . 1 . . . . . 221 Gln CB . 26791 1 175 . 1 1 31 31 GLN CG C 13 34.050 0.033 . 1 . . . . . 221 Gln CG . 26791 1 176 . 1 1 31 31 GLN CD C 13 180.126 0.001 . 1 . . . . . 221 Gln CD . 26791 1 177 . 1 1 31 31 GLN N N 15 116.943 0.147 . 1 . . . . . 221 Gln N . 26791 1 178 . 1 1 31 31 GLN NE2 N 15 112.764 0.121 . 1 . . . . . 221 Gln NE2 . 26791 1 179 . 1 1 32 32 PHE H H 1 8.159 0.005 . 1 . . . . . 222 Phe H . 26791 1 180 . 1 1 32 32 PHE HA H 1 4.665 0.000 . 1 . . . . . 222 Phe HA . 26791 1 181 . 1 1 32 32 PHE C C 13 179.565 0.009 . 1 . . . . . 222 Phe C . 26791 1 182 . 1 1 32 32 PHE CA C 13 61.504 0.038 . 1 . . . . . 222 Phe CA . 26791 1 183 . 1 1 32 32 PHE CB C 13 37.945 0.062 . 1 . . . . . 222 Phe CB . 26791 1 184 . 1 1 32 32 PHE N N 15 122.864 0.074 . 1 . . . . . 222 Phe N . 26791 1 185 . 1 1 33 33 CYS H H 1 9.150 0.010 . 1 . . . . . 223 Cys H . 26791 1 186 . 1 1 33 33 CYS C C 13 179.686 0.018 . 1 . . . . . 223 Cys C . 26791 1 187 . 1 1 33 33 CYS CA C 13 56.445 0.048 . 1 . . . . . 223 Cys CA . 26791 1 188 . 1 1 33 33 CYS CB C 13 33.474 0.026 . 1 . . . . . 223 Cys CB . 26791 1 189 . 1 1 33 33 CYS N N 15 120.565 0.034 . 1 . . . . . 223 Cys N . 26791 1 190 . 1 1 34 34 VAL H H 1 9.454 0.004 . 1 . . . . . 224 Val H . 26791 1 191 . 1 1 34 34 VAL HA H 1 3.947 0.026 . 1 . . . . . 224 Val HA . 26791 1 192 . 1 1 34 34 VAL C C 13 179.940 0.014 . 1 . . . . . 224 Val C . 26791 1 193 . 1 1 34 34 VAL CA C 13 67.073 0.008 . 1 . . . . . 224 Val CA . 26791 1 194 . 1 1 34 34 VAL CB C 13 31.795 0.113 . 1 . . . . . 224 Val CB . 26791 1 195 . 1 1 34 34 VAL N N 15 128.357 0.040 . 1 . . . . . 224 Val N . 26791 1 196 . 1 1 35 35 SER H H 1 8.065 0.015 . 1 . . . . . 225 Ser H . 26791 1 197 . 1 1 35 35 SER HA H 1 4.383 0.005 . 1 . . . . . 225 Ser HA . 26791 1 198 . 1 1 35 35 SER C C 13 174.309 0.010 . 1 . . . . . 225 Ser C . 26791 1 199 . 1 1 35 35 SER CA C 13 61.308 0.073 . 1 . . . . . 225 Ser CA . 26791 1 200 . 1 1 35 35 SER CB C 13 62.965 0.108 . 1 . . . . . 225 Ser CB . 26791 1 201 . 1 1 35 35 SER N N 15 119.105 0.081 . 1 . . . . . 225 Ser N . 26791 1 202 . 1 1 36 36 ARG H H 1 7.443 0.016 . 1 . . . . . 226 Arg H . 26791 1 203 . 1 1 36 36 ARG C C 13 174.924 0.012 . 1 . . . . . 226 Arg C . 26791 1 204 . 1 1 36 36 ARG CA C 13 54.315 0.058 . 1 . . . . . 226 Arg CA . 26791 1 205 . 1 1 36 36 ARG CB C 13 28.993 0.024 . 1 . . . . . 226 Arg CB . 26791 1 206 . 1 1 36 36 ARG N N 15 121.601 0.116 . 1 . . . . . 226 Arg N . 26791 1 207 . 1 1 37 37 ASN H H 1 8.107 0.006 . 1 . . . . . 227 Asn H . 26791 1 208 . 1 1 37 37 ASN HA H 1 4.457 0.002 . 1 . . . . . 227 Asn HA . 26791 1 209 . 1 1 37 37 ASN HD21 H 1 6.858 0.001 . 1 . . . . . 227 Asn HD21 . 26791 1 210 . 1 1 37 37 ASN HD22 H 1 7.394 0.012 . 1 . . . . . 227 Asn HD22 . 26791 1 211 . 1 1 37 37 ASN C C 13 173.412 0.027 . 1 . . . . . 227 Asn C . 26791 1 212 . 1 1 37 37 ASN CA C 13 54.220 0.041 . 1 . . . . . 227 Asn CA . 26791 1 213 . 1 1 37 37 ASN CB C 13 36.765 0.018 . 1 . . . . . 227 Asn CB . 26791 1 214 . 1 1 37 37 ASN CG C 13 178.465 0.001 . 1 . . . . . 227 Asn CG . 26791 1 215 . 1 1 37 37 ASN N N 15 115.416 0.121 . 1 . . . . . 227 Asn N . 26791 1 216 . 1 1 37 37 ASN ND2 N 15 111.749 0.164 . 1 . . . . . 227 Asn ND2 . 26791 1 217 . 1 1 38 38 SER H H 1 7.829 0.005 . 1 . . . . . 228 Ser H . 26791 1 218 . 1 1 38 38 SER HA H 1 4.948 0.007 . 1 . . . . . 228 Ser HA . 26791 1 219 . 1 1 38 38 SER C C 13 171.455 0.003 . 1 . . . . . 228 Ser C . 26791 1 220 . 1 1 38 38 SER CA C 13 57.279 0.019 . 1 . . . . . 228 Ser CA . 26791 1 221 . 1 1 38 38 SER CB C 13 67.370 0.054 . 1 . . . . . 228 Ser CB . 26791 1 222 . 1 1 38 38 SER N N 15 111.442 0.036 . 1 . . . . . 228 Ser N . 26791 1 223 . 1 1 39 39 HIS H H 1 7.941 0.007 . 1 . . . . . 229 His H . 26791 1 224 . 1 1 39 39 HIS HA H 1 5.162 0.000 . 1 . . . . . 229 His HA . 26791 1 225 . 1 1 39 39 HIS C C 13 174.914 0.006 . 1 . . . . . 229 His C . 26791 1 226 . 1 1 39 39 HIS CA C 13 55.174 0.031 . 1 . . . . . 229 His CA . 26791 1 227 . 1 1 39 39 HIS CB C 13 35.715 0.036 . 1 . . . . . 229 His CB . 26791 1 228 . 1 1 39 39 HIS N N 15 112.610 0.031 . 1 . . . . . 229 His N . 26791 1 229 . 1 1 40 40 LEU H H 1 10.336 0.005 . 1 . . . . . 230 Leu H . 26791 1 230 . 1 1 40 40 LEU C C 13 180.838 0.043 . 1 . . . . . 230 Leu C . 26791 1 231 . 1 1 40 40 LEU CA C 13 56.290 0.035 . 1 . . . . . 230 Leu CA . 26791 1 232 . 1 1 40 40 LEU CB C 13 43.355 0.072 . 1 . . . . . 230 Leu CB . 26791 1 233 . 1 1 40 40 LEU N N 15 125.504 0.057 . 1 . . . . . 230 Leu N . 26791 1 234 . 1 1 41 41 THR H H 1 8.497 0.005 . 1 . . . . . 231 Thr H . 26791 1 235 . 1 1 41 41 THR C C 13 173.533 0.010 . 1 . . . . . 231 Thr C . 26791 1 236 . 1 1 41 41 THR CA C 13 64.276 0.010 . 1 . . . . . 231 Thr CA . 26791 1 237 . 1 1 41 41 THR CB C 13 69.934 0.081 . 1 . . . . . 231 Thr CB . 26791 1 238 . 1 1 41 41 THR N N 15 116.554 0.037 . 1 . . . . . 231 Thr N . 26791 1 239 . 1 1 42 42 SER H H 1 6.722 0.021 . 1 . . . . . 232 Ser H . 26791 1 240 . 1 1 42 42 SER CA C 13 56.317 0.034 . 1 . . . . . 232 Ser CA . 26791 1 241 . 1 1 42 42 SER CB C 13 64.500 0.000 . 1 . . . . . 232 Ser CB . 26791 1 242 . 1 1 42 42 SER N N 15 118.084 0.037 . 1 . . . . . 232 Ser N . 26791 1 243 . 1 1 43 43 VAL C C 13 177.003 0.013 . 1 . . . . . 233 Val C . 26791 1 244 . 1 1 43 43 VAL CA C 13 62.778 0.005 . 1 . . . . . 233 Val CA . 26791 1 245 . 1 1 43 43 VAL CB C 13 33.754 0.008 . 1 . . . . . 233 Val CB . 26791 1 246 . 1 1 43 43 VAL CG1 C 13 20.697 0.000 . 1 . . . . . 233 Val CG1 . 26791 1 247 . 1 1 44 44 THR H H 1 9.700 0.005 . 1 . . . . . 234 Thr H . 26791 1 248 . 1 1 44 44 THR HA H 1 4.730 0.009 . 1 . . . . . 234 Thr HA . 26791 1 249 . 1 1 44 44 THR C C 13 174.442 0.014 . 1 . . . . . 234 Thr C . 26791 1 250 . 1 1 44 44 THR CA C 13 61.586 0.039 . 1 . . . . . 234 Thr CA . 26791 1 251 . 1 1 44 44 THR CB C 13 70.860 0.142 . 1 . . . . . 234 Thr CB . 26791 1 252 . 1 1 44 44 THR N N 15 115.000 0.044 . 1 . . . . . 234 Thr N . 26791 1 253 . 1 1 45 45 SER H H 1 7.734 0.005 . 1 . . . . . 235 Ser H . 26791 1 254 . 1 1 45 45 SER HA H 1 4.907 0.030 . 1 . . . . . 235 Ser HA . 26791 1 255 . 1 1 45 45 SER C C 13 173.988 0.018 . 1 . . . . . 235 Ser C . 26791 1 256 . 1 1 45 45 SER CA C 13 57.595 0.022 . 1 . . . . . 235 Ser CA . 26791 1 257 . 1 1 45 45 SER CB C 13 66.222 0.054 . 1 . . . . . 235 Ser CB . 26791 1 258 . 1 1 45 45 SER N N 15 112.789 0.028 . 1 . . . . . 235 Ser N . 26791 1 259 . 1 1 46 46 GLU H H 1 9.709 0.009 . 1 . . . . . 236 Glu H . 26791 1 260 . 1 1 46 46 GLU HA H 1 4.299 0.001 . 1 . . . . . 236 Glu HA . 26791 1 261 . 1 1 46 46 GLU C C 13 177.858 0.011 . 1 . . . . . 236 Glu C . 26791 1 262 . 1 1 46 46 GLU CA C 13 60.275 0.012 . 1 . . . . . 236 Glu CA . 26791 1 263 . 1 1 46 46 GLU CB C 13 29.356 0.114 . 1 . . . . . 236 Glu CB . 26791 1 264 . 1 1 46 46 GLU N N 15 122.123 0.061 . 1 . . . . . 236 Glu N . 26791 1 265 . 1 1 47 47 SER H H 1 8.535 0.005 . 1 . . . . . 237 Ser H . 26791 1 266 . 1 1 47 47 SER C C 13 176.830 0.017 . 1 . . . . . 237 Ser C . 26791 1 267 . 1 1 47 47 SER CA C 13 61.607 0.078 . 1 . . . . . 237 Ser CA . 26791 1 268 . 1 1 47 47 SER CB C 13 62.723 0.062 . 1 . . . . . 237 Ser CB . 26791 1 269 . 1 1 47 47 SER N N 15 113.801 0.047 . 1 . . . . . 237 Ser N . 26791 1 270 . 1 1 48 48 GLU H H 1 8.160 0.005 . 1 . . . . . 238 Glu H . 26791 1 271 . 1 1 48 48 GLU HA H 1 4.121 0.006 . 1 . . . . . 238 Glu HA . 26791 1 272 . 1 1 48 48 GLU C C 13 176.623 0.014 . 1 . . . . . 238 Glu C . 26791 1 273 . 1 1 48 48 GLU CA C 13 60.019 0.050 . 1 . . . . . 238 Glu CA . 26791 1 274 . 1 1 48 48 GLU CB C 13 30.601 0.044 . 1 . . . . . 238 Glu CB . 26791 1 275 . 1 1 48 48 GLU N N 15 124.803 0.058 . 1 . . . . . 238 Glu N . 26791 1 276 . 1 1 49 49 GLN H H 1 7.891 0.005 . 1 . . . . . 239 Gln H . 26791 1 277 . 1 1 49 49 GLN HA H 1 4.351 0.022 . 1 . . . . . 239 Gln HA . 26791 1 278 . 1 1 49 49 GLN C C 13 177.622 0.008 . 1 . . . . . 239 Gln C . 26791 1 279 . 1 1 49 49 GLN CA C 13 59.158 0.054 . 1 . . . . . 239 Gln CA . 26791 1 280 . 1 1 49 49 GLN CB C 13 27.195 0.106 . 1 . . . . . 239 Gln CB . 26791 1 281 . 1 1 49 49 GLN N N 15 120.392 0.034 . 1 . . . . . 239 Gln N . 26791 1 282 . 1 1 50 50 GLU H H 1 8.457 0.010 . 1 . . . . . 240 Glu H . 26791 1 283 . 1 1 50 50 GLU C C 13 176.752 0.020 . 1 . . . . . 240 Glu C . 26791 1 284 . 1 1 50 50 GLU CA C 13 58.291 0.021 . 1 . . . . . 240 Glu CA . 26791 1 285 . 1 1 50 50 GLU CB C 13 29.907 0.040 . 1 . . . . . 240 Glu CB . 26791 1 286 . 1 1 50 50 GLU N N 15 118.210 0.101 . 1 . . . . . 240 Glu N . 26791 1 287 . 1 1 51 51 PHE H H 1 7.555 0.006 . 1 . . . . . 241 Phe H . 26791 1 288 . 1 1 51 51 PHE HA H 1 3.707 0.006 . 1 . . . . . 241 Phe HA . 26791 1 289 . 1 1 51 51 PHE C C 13 178.523 0.013 . 1 . . . . . 241 Phe C . 26791 1 290 . 1 1 51 51 PHE CA C 13 60.739 0.044 . 1 . . . . . 241 Phe CA . 26791 1 291 . 1 1 51 51 PHE CB C 13 38.456 0.028 . 1 . . . . . 241 Phe CB . 26791 1 292 . 1 1 51 51 PHE N N 15 119.173 0.036 . 1 . . . . . 241 Phe N . 26791 1 293 . 1 1 52 52 LEU H H 1 8.226 0.012 . 1 . . . . . 242 Leu H . 26791 1 294 . 1 1 52 52 LEU HA H 1 3.573 0.023 . 1 . . . . . 242 Leu HA . 26791 1 295 . 1 1 52 52 LEU C C 13 178.732 0.031 . 1 . . . . . 242 Leu C . 26791 1 296 . 1 1 52 52 LEU CA C 13 58.498 0.061 . 1 . . . . . 242 Leu CA . 26791 1 297 . 1 1 52 52 LEU CB C 13 41.883 0.012 . 1 . . . . . 242 Leu CB . 26791 1 298 . 1 1 52 52 LEU N N 15 119.825 0.207 . 1 . . . . . 242 Leu N . 26791 1 299 . 1 1 53 53 TYR H H 1 8.929 0.004 . 1 . . . . . 243 Tyr H . 26791 1 300 . 1 1 53 53 TYR HA H 1 4.436 0.004 . 1 . . . . . 243 Tyr HA . 26791 1 301 . 1 1 53 53 TYR C C 13 179.453 0.010 . 1 . . . . . 243 Tyr C . 26791 1 302 . 1 1 53 53 TYR CA C 13 60.487 0.072 . 1 . . . . . 243 Tyr CA . 26791 1 303 . 1 1 53 53 TYR CB C 13 35.774 0.063 . 1 . . . . . 243 Tyr CB . 26791 1 304 . 1 1 53 53 TYR N N 15 118.384 0.039 . 1 . . . . . 243 Tyr N . 26791 1 305 . 1 1 54 54 LYS H H 1 7.898 0.005 . 1 . . . . . 244 Lys H . 26791 1 306 . 1 1 54 54 LYS HA H 1 3.736 0.008 . 1 . . . . . 244 Lys HA . 26791 1 307 . 1 1 54 54 LYS C C 13 180.035 0.015 . 1 . . . . . 244 Lys C . 26791 1 308 . 1 1 54 54 LYS CA C 13 59.555 0.034 . 1 . . . . . 244 Lys CA . 26791 1 309 . 1 1 54 54 LYS CB C 13 31.746 0.040 . 1 . . . . . 244 Lys CB . 26791 1 310 . 1 1 54 54 LYS N N 15 124.834 0.030 . 1 . . . . . 244 Lys N . 26791 1 311 . 1 1 55 55 THR H H 1 7.458 0.007 . 1 . . . . . 245 Thr H . 26791 1 312 . 1 1 55 55 THR HA H 1 3.349 0.007 . 1 . . . . . 245 Thr HA . 26791 1 313 . 1 1 55 55 THR C C 13 175.535 0.020 . 1 . . . . . 245 Thr C . 26791 1 314 . 1 1 55 55 THR CA C 13 65.722 0.046 . 1 . . . . . 245 Thr CA . 26791 1 315 . 1 1 55 55 THR CB C 13 67.258 0.051 . 1 . . . . . 245 Thr CB . 26791 1 316 . 1 1 55 55 THR N N 15 117.408 0.065 . 1 . . . . . 245 Thr N . 26791 1 317 . 1 1 56 56 ALA H H 1 8.167 0.010 . 1 . . . . . 246 Ala H . 26791 1 318 . 1 1 56 56 ALA HA H 1 3.943 0.003 . 1 . . . . . 246 Ala HA . 26791 1 319 . 1 1 56 56 ALA C C 13 180.439 0.015 . 1 . . . . . 246 Ala C . 26791 1 320 . 1 1 56 56 ALA CA C 13 54.543 0.041 . 1 . . . . . 246 Ala CA . 26791 1 321 . 1 1 56 56 ALA CB C 13 19.298 0.071 . 1 . . . . . 246 Ala CB . 26791 1 322 . 1 1 56 56 ALA N N 15 123.634 0.089 . 1 . . . . . 246 Ala N . 26791 1 323 . 1 1 57 57 GLY H H 1 7.159 0.006 . 1 . . . . . 247 Gly H . 26791 1 324 . 1 1 57 57 GLY HA2 H 1 3.944 0.004 . 1 . . . . . 247 Gly HA2 . 26791 1 325 . 1 1 57 57 GLY C C 13 175.528 0.012 . 1 . . . . . 247 Gly C . 26791 1 326 . 1 1 57 57 GLY CA C 13 47.694 0.051 . 1 . . . . . 247 Gly CA . 26791 1 327 . 1 1 57 57 GLY N N 15 101.846 0.032 . 1 . . . . . 247 Gly N . 26791 1 328 . 1 1 58 58 GLY H H 1 9.223 0.004 . 1 . . . . . 248 Gly H . 26791 1 329 . 1 1 58 58 GLY HA2 H 1 4.291 0.004 . 2 . . . . . 248 Gly HA2 . 26791 1 330 . 1 1 58 58 GLY HA3 H 1 3.522 0.000 . 2 . . . . . 248 Gly HA3 . 26791 1 331 . 1 1 58 58 GLY C C 13 174.623 0.014 . 1 . . . . . 248 Gly C . 26791 1 332 . 1 1 58 58 GLY CA C 13 44.991 0.047 . 1 . . . . . 248 Gly CA . 26791 1 333 . 1 1 58 58 GLY N N 15 107.194 0.040 . 1 . . . . . 248 Gly N . 26791 1 334 . 1 1 59 59 LEU H H 1 7.432 0.005 . 1 . . . . . 249 Leu H . 26791 1 335 . 1 1 59 59 LEU HA H 1 4.509 0.000 . 1 . . . . . 249 Leu HA . 26791 1 336 . 1 1 59 59 LEU C C 13 175.552 0.003 . 1 . . . . . 249 Leu C . 26791 1 337 . 1 1 59 59 LEU CA C 13 54.126 0.030 . 1 . . . . . 249 Leu CA . 26791 1 338 . 1 1 59 59 LEU CB C 13 42.295 0.010 . 1 . . . . . 249 Leu CB . 26791 1 339 . 1 1 59 59 LEU N N 15 122.068 0.076 . 1 . . . . . 249 Leu N . 26791 1 340 . 1 1 60 60 ILE H H 1 7.730 0.006 . 1 . . . . . 250 Ile H . 26791 1 341 . 1 1 60 60 ILE HA H 1 4.565 0.023 . 1 . . . . . 250 Ile HA . 26791 1 342 . 1 1 60 60 ILE C C 13 176.029 0.013 . 1 . . . . . 250 Ile C . 26791 1 343 . 1 1 60 60 ILE CA C 13 61.204 0.039 . 1 . . . . . 250 Ile CA . 26791 1 344 . 1 1 60 60 ILE CB C 13 38.130 0.064 . 1 . . . . . 250 Ile CB . 26791 1 345 . 1 1 60 60 ILE N N 15 120.491 0.044 . 1 . . . . . 250 Ile N . 26791 1 346 . 1 1 61 61 TYR H H 1 7.882 0.009 . 1 . . . . . 251 Tyr H . 26791 1 347 . 1 1 61 61 TYR HA H 1 4.942 0.023 . 1 . . . . . 251 Tyr HA . 26791 1 348 . 1 1 61 61 TYR C C 13 177.145 0.008 . 1 . . . . . 251 Tyr C . 26791 1 349 . 1 1 61 61 TYR CA C 13 55.181 0.057 . 1 . . . . . 251 Tyr CA . 26791 1 350 . 1 1 61 61 TYR CB C 13 43.140 0.066 . 1 . . . . . 251 Tyr CB . 26791 1 351 . 1 1 61 61 TYR N N 15 121.531 0.109 . 1 . . . . . 251 Tyr N . 26791 1 352 . 1 1 62 62 TRP H H 1 10.411 0.005 . 1 . . . . . 252 Trp H . 26791 1 353 . 1 1 62 62 TRP C C 13 176.475 0.024 . 1 . . . . . 252 Trp C . 26791 1 354 . 1 1 62 62 TRP CA C 13 58.790 0.034 . 1 . . . . . 252 Trp CA . 26791 1 355 . 1 1 62 62 TRP CB C 13 32.816 0.022 . 1 . . . . . 252 Trp CB . 26791 1 356 . 1 1 62 62 TRP N N 15 122.175 0.148 . 1 . . . . . 252 Trp N . 26791 1 357 . 1 1 63 63 ILE H H 1 8.549 0.008 . 1 . . . . . 253 Ile H . 26791 1 358 . 1 1 63 63 ILE HA H 1 5.121 0.016 . 1 . . . . . 253 Ile HA . 26791 1 359 . 1 1 63 63 ILE C C 13 176.261 0.004 . 1 . . . . . 253 Ile C . 26791 1 360 . 1 1 63 63 ILE CA C 13 60.057 0.014 . 1 . . . . . 253 Ile CA . 26791 1 361 . 1 1 63 63 ILE CB C 13 40.827 0.099 . 1 . . . . . 253 Ile CB . 26791 1 362 . 1 1 63 63 ILE N N 15 111.708 0.058 . 1 . . . . . 253 Ile N . 26791 1 363 . 1 1 64 64 GLY H H 1 9.854 0.015 . 1 . . . . . 254 Gly H . 26791 1 364 . 1 1 64 64 GLY C C 13 173.377 0.002 . 1 . . . . . 254 Gly C . 26791 1 365 . 1 1 64 64 GLY CA C 13 49.592 0.043 . 1 . . . . . 254 Gly CA . 26791 1 366 . 1 1 64 64 GLY N N 15 109.324 0.038 . 1 . . . . . 254 Gly N . 26791 1 367 . 1 1 65 65 LEU H H 1 7.182 0.006 . 1 . . . . . 255 Leu H . 26791 1 368 . 1 1 65 65 LEU C C 13 175.369 0.008 . 1 . . . . . 255 Leu C . 26791 1 369 . 1 1 65 65 LEU CA C 13 53.967 0.052 . 1 . . . . . 255 Leu CA . 26791 1 370 . 1 1 65 65 LEU CB C 13 45.969 0.021 . 1 . . . . . 255 Leu CB . 26791 1 371 . 1 1 65 65 LEU N N 15 125.755 0.034 . 1 . . . . . 255 Leu N . 26791 1 372 . 1 1 66 66 THR H H 1 8.886 0.006 . 1 . . . . . 256 Thr H . 26791 1 373 . 1 1 66 66 THR HA H 1 5.119 0.005 . 1 . . . . . 256 Thr HA . 26791 1 374 . 1 1 66 66 THR C C 13 171.427 0.000 . 1 . . . . . 256 Thr C . 26791 1 375 . 1 1 66 66 THR CA C 13 59.282 0.042 . 1 . . . . . 256 Thr CA . 26791 1 376 . 1 1 66 66 THR CB C 13 70.032 0.000 . 1 . . . . . 256 Thr CB . 26791 1 377 . 1 1 66 66 THR N N 15 118.490 0.051 . 1 . . . . . 256 Thr N . 26791 1 378 . 1 1 67 67 LYS H H 1 7.745 0.004 . 1 . . . . . 257 Lys H . 26791 1 379 . 1 1 67 67 LYS C C 13 175.498 0.000 . 1 . . . . . 257 Lys C . 26791 1 380 . 1 1 67 67 LYS CA C 13 55.126 0.059 . 1 . . . . . 257 Lys CA . 26791 1 381 . 1 1 67 67 LYS CB C 13 33.260 0.000 . 1 . . . . . 257 Lys CB . 26791 1 382 . 1 1 67 67 LYS N N 15 129.000 0.024 . 1 . . . . . 257 Lys N . 26791 1 383 . 1 1 68 68 ALA H H 1 8.176 0.009 . 1 . . . . . 258 Ala H . 26791 1 384 . 1 1 68 68 ALA HA H 1 4.204 0.000 . 1 . . . . . 258 Ala HA . 26791 1 385 . 1 1 68 68 ALA C C 13 177.291 0.015 . 1 . . . . . 258 Ala C . 26791 1 386 . 1 1 68 68 ALA CA C 13 51.996 0.040 . 1 . . . . . 258 Ala CA . 26791 1 387 . 1 1 68 68 ALA CB C 13 19.357 0.038 . 1 . . . . . 258 Ala CB . 26791 1 388 . 1 1 68 68 ALA N N 15 127.588 0.076 . 1 . . . . . 258 Ala N . 26791 1 389 . 1 1 69 69 GLY H H 1 8.006 0.004 . 1 . . . . . 259 Gly H . 26791 1 390 . 1 1 69 69 GLY HA2 H 1 3.810 0.013 . 2 . . . . . 259 Gly HA2 . 26791 1 391 . 1 1 69 69 GLY HA3 H 1 4.010 0.000 . 2 . . . . . 259 Gly HA3 . 26791 1 392 . 1 1 69 69 GLY C C 13 174.302 0.013 . 1 . . . . . 259 Gly C . 26791 1 393 . 1 1 69 69 GLY CA C 13 44.822 0.016 . 1 . . . . . 259 Gly CA . 26791 1 394 . 1 1 69 69 GLY N N 15 107.854 0.053 . 1 . . . . . 259 Gly N . 26791 1 395 . 1 1 70 70 MET H H 1 8.550 0.003 . 1 . . . . . 260 Met H . 26791 1 396 . 1 1 70 70 MET HA H 1 4.172 0.000 . 1 . . . . . 260 Met HA . 26791 1 397 . 1 1 70 70 MET C C 13 177.592 0.014 . 1 . . . . . 260 Met C . 26791 1 398 . 1 1 70 70 MET CA C 13 57.320 0.038 . 1 . . . . . 260 Met CA . 26791 1 399 . 1 1 70 70 MET CB C 13 32.461 0.062 . 1 . . . . . 260 Met CB . 26791 1 400 . 1 1 70 70 MET N N 15 118.942 0.050 . 1 . . . . . 260 Met N . 26791 1 401 . 1 1 71 71 GLU H H 1 8.587 0.003 . 1 . . . . . 261 Glu H . 26791 1 402 . 1 1 71 71 GLU HA H 1 4.309 0.019 . 1 . . . . . 261 Glu HA . 26791 1 403 . 1 1 71 71 GLU C C 13 176.924 0.021 . 1 . . . . . 261 Glu C . 26791 1 404 . 1 1 71 71 GLU CA C 13 56.222 0.014 . 1 . . . . . 261 Glu CA . 26791 1 405 . 1 1 71 71 GLU CB C 13 29.569 0.033 . 1 . . . . . 261 Glu CB . 26791 1 406 . 1 1 71 71 GLU CG C 13 36.547 0.018 . 1 . . . . . 261 Glu CG . 26791 1 407 . 1 1 71 71 GLU N N 15 117.137 0.028 . 1 . . . . . 261 Glu N . 26791 1 408 . 1 1 72 72 GLY H H 1 7.595 0.005 . 1 . . . . . 262 Gly H . 26791 1 409 . 1 1 72 72 GLY HA2 H 1 3.811 0.001 . 1 . . . . . 262 Gly HA2 . 26791 1 410 . 1 1 72 72 GLY C C 13 172.936 0.007 . 1 . . . . . 262 Gly C . 26791 1 411 . 1 1 72 72 GLY CA C 13 45.366 0.042 . 1 . . . . . 262 Gly CA . 26791 1 412 . 1 1 72 72 GLY N N 15 107.797 0.084 . 1 . . . . . 262 Gly N . 26791 1 413 . 1 1 73 73 ASP H H 1 7.976 0.006 . 1 . . . . . 263 Asp H . 26791 1 414 . 1 1 73 73 ASP C C 13 176.161 0.014 . 1 . . . . . 263 Asp C . 26791 1 415 . 1 1 73 73 ASP CA C 13 53.074 0.068 . 1 . . . . . 263 Asp CA . 26791 1 416 . 1 1 73 73 ASP CB C 13 42.773 0.000 . 1 . . . . . 263 Asp CB . 26791 1 417 . 1 1 73 73 ASP N N 15 119.055 0.048 . 1 . . . . . 263 Asp N . 26791 1 418 . 1 1 74 74 TRP H H 1 8.069 0.016 . 1 . . . . . 264 Trp H . 26791 1 419 . 1 1 74 74 TRP HA H 1 4.142 0.004 . 1 . . . . . 264 Trp HA . 26791 1 420 . 1 1 74 74 TRP C C 13 174.536 0.007 . 1 . . . . . 264 Trp C . 26791 1 421 . 1 1 74 74 TRP CA C 13 58.238 0.047 . 1 . . . . . 264 Trp CA . 26791 1 422 . 1 1 74 74 TRP CB C 13 29.531 0.052 . 1 . . . . . 264 Trp CB . 26791 1 423 . 1 1 74 74 TRP N N 15 121.727 0.138 . 1 . . . . . 264 Trp N . 26791 1 424 . 1 1 75 75 SER H H 1 8.697 0.008 . 1 . . . . . 265 Ser H . 26791 1 425 . 1 1 75 75 SER HA H 1 4.492 0.022 . 1 . . . . . 265 Ser HA . 26791 1 426 . 1 1 75 75 SER C C 13 171.344 0.019 . 1 . . . . . 265 Ser C . 26791 1 427 . 1 1 75 75 SER CA C 13 57.101 0.019 . 1 . . . . . 265 Ser CA . 26791 1 428 . 1 1 75 75 SER CB C 13 66.676 0.077 . 1 . . . . . 265 Ser CB . 26791 1 429 . 1 1 75 75 SER N N 15 114.583 0.052 . 1 . . . . . 265 Ser N . 26791 1 430 . 1 1 76 76 TRP H H 1 8.982 0.005 . 1 . . . . . 266 Trp H . 26791 1 431 . 1 1 76 76 TRP HA H 1 5.911 0.007 . 1 . . . . . 266 Trp HA . 26791 1 432 . 1 1 76 76 TRP HE1 H 1 10.808 0.002 . 1 . . . . . 266 Trp HE1 . 26791 1 433 . 1 1 76 76 TRP C C 13 180.155 0.035 . 1 . . . . . 266 Trp C . 26791 1 434 . 1 1 76 76 TRP CA C 13 54.256 0.050 . 1 . . . . . 266 Trp CA . 26791 1 435 . 1 1 76 76 TRP CB C 13 31.729 0.037 . 1 . . . . . 266 Trp CB . 26791 1 436 . 1 1 76 76 TRP N N 15 118.274 0.048 . 1 . . . . . 266 Trp N . 26791 1 437 . 1 1 76 76 TRP NE1 N 15 129.949 0.034 . 1 . . . . . 266 Trp NE1 . 26791 1 438 . 1 1 77 77 VAL H H 1 9.436 0.006 . 1 . . . . . 267 Val H . 26791 1 439 . 1 1 77 77 VAL C C 13 174.640 0.021 . 1 . . . . . 267 Val C . 26791 1 440 . 1 1 77 77 VAL CA C 13 64.093 0.026 . 1 . . . . . 267 Val CA . 26791 1 441 . 1 1 77 77 VAL CB C 13 32.574 0.073 . 1 . . . . . 267 Val CB . 26791 1 442 . 1 1 77 77 VAL N N 15 125.787 0.034 . 1 . . . . . 267 Val N . 26791 1 443 . 1 1 78 78 ASP H H 1 8.163 0.010 . 1 . . . . . 268 Asp H . 26791 1 444 . 1 1 78 78 ASP HA H 1 3.735 0.019 . 1 . . . . . 268 Asp HA . 26791 1 445 . 1 1 78 78 ASP C C 13 176.105 0.002 . 1 . . . . . 268 Asp C . 26791 1 446 . 1 1 78 78 ASP CA C 13 52.707 0.052 . 1 . . . . . 268 Asp CA . 26791 1 447 . 1 1 78 78 ASP CB C 13 40.233 0.051 . 1 . . . . . 268 Asp CB . 26791 1 448 . 1 1 78 78 ASP N N 15 118.811 0.084 . 1 . . . . . 268 Asp N . 26791 1 449 . 1 1 79 79 ASP H H 1 8.273 0.005 . 1 . . . . . 269 Asp H . 26791 1 450 . 1 1 79 79 ASP HA H 1 4.507 0.001 . 1 . . . . . 269 Asp HA . 26791 1 451 . 1 1 79 79 ASP C C 13 176.217 0.003 . 1 . . . . . 269 Asp C . 26791 1 452 . 1 1 79 79 ASP CA C 13 56.618 0.086 . 1 . . . . . 269 Asp CA . 26791 1 453 . 1 1 79 79 ASP CB C 13 39.154 0.060 . 1 . . . . . 269 Asp CB . 26791 1 454 . 1 1 79 79 ASP N N 15 112.681 0.089 . 1 . . . . . 269 Asp N . 26791 1 455 . 1 1 80 80 THR H H 1 8.358 0.009 . 1 . . . . . 270 Thr H . 26791 1 456 . 1 1 80 80 THR C C 13 172.919 0.006 . 1 . . . . . 270 Thr C . 26791 1 457 . 1 1 80 80 THR CA C 13 63.269 0.081 . 1 . . . . . 270 Thr CA . 26791 1 458 . 1 1 80 80 THR CB C 13 69.390 0.000 . 1 . . . . . 270 Thr CB . 26791 1 459 . 1 1 80 80 THR N N 15 121.900 0.185 . 1 . . . . . 270 Thr N . 26791 1 460 . 1 1 81 81 PRO C C 13 176.614 0.072 . 1 . . . . . 271 Pro C . 26791 1 461 . 1 1 81 81 PRO CA C 13 63.902 0.029 . 1 . . . . . 271 Pro CA . 26791 1 462 . 1 1 81 81 PRO CB C 13 31.865 0.021 . 1 . . . . . 271 Pro CB . 26791 1 463 . 1 1 81 81 PRO CG C 13 28.291 0.000 . 1 . . . . . 271 Pro CG . 26791 1 464 . 1 1 81 81 PRO CD C 13 51.311 0.000 . 1 . . . . . 271 Pro CD . 26791 1 465 . 1 1 81 81 PRO N N 15 142.133 0.000 . 1 . . . . . 271 Pro N . 26791 1 466 . 1 1 82 82 PHE H H 1 9.242 0.003 . 1 . . . . . 272 Phe H . 26791 1 467 . 1 1 82 82 PHE HA H 1 4.832 0.018 . 1 . . . . . 272 Phe HA . 26791 1 468 . 1 1 82 82 PHE C C 13 175.014 0.016 . 1 . . . . . 272 Phe C . 26791 1 469 . 1 1 82 82 PHE CA C 13 58.912 0.007 . 1 . . . . . 272 Phe CA . 26791 1 470 . 1 1 82 82 PHE CB C 13 40.740 0.061 . 1 . . . . . 272 Phe CB . 26791 1 471 . 1 1 82 82 PHE N N 15 127.033 0.034 . 1 . . . . . 272 Phe N . 26791 1 472 . 1 1 83 83 ASN H H 1 8.905 0.004 . 1 . . . . . 273 Asn H . 26791 1 473 . 1 1 83 83 ASN HA H 1 4.910 0.018 . 1 . . . . . 273 Asn HA . 26791 1 474 . 1 1 83 83 ASN HD21 H 1 7.936 0.003 . 1 . . . . . 273 Asn HD21 . 26791 1 475 . 1 1 83 83 ASN HD22 H 1 7.163 0.006 . 1 . . . . . 273 Asn HD22 . 26791 1 476 . 1 1 83 83 ASN C C 13 175.577 0.004 . 1 . . . . . 273 Asn C . 26791 1 477 . 1 1 83 83 ASN CA C 13 51.772 0.061 . 1 . . . . . 273 Asn CA . 26791 1 478 . 1 1 83 83 ASN CB C 13 38.753 0.052 . 1 . . . . . 273 Asn CB . 26791 1 479 . 1 1 83 83 ASN CG C 13 177.537 0.003 . 1 . . . . . 273 Asn CG . 26791 1 480 . 1 1 83 83 ASN N N 15 128.829 0.037 . 1 . . . . . 273 Asn N . 26791 1 481 . 1 1 83 83 ASN ND2 N 15 113.997 0.088 . 1 . . . . . 273 Asn ND2 . 26791 1 482 . 1 1 84 84 LYS H H 1 9.055 0.006 . 1 . . . . . 274 Lys H . 26791 1 483 . 1 1 84 84 LYS C C 13 178.399 0.011 . 1 . . . . . 274 Lys C . 26791 1 484 . 1 1 84 84 LYS CA C 13 60.181 0.023 . 1 . . . . . 274 Lys CA . 26791 1 485 . 1 1 84 84 LYS CB C 13 33.132 0.025 . 1 . . . . . 274 Lys CB . 26791 1 486 . 1 1 84 84 LYS N N 15 127.854 0.045 . 1 . . . . . 274 Lys N . 26791 1 487 . 1 1 85 85 VAL H H 1 8.110 0.005 . 1 . . . . . 275 Val H . 26791 1 488 . 1 1 85 85 VAL HA H 1 3.852 0.009 . 1 . . . . . 275 Val HA . 26791 1 489 . 1 1 85 85 VAL C C 13 178.777 0.033 . 1 . . . . . 275 Val C . 26791 1 490 . 1 1 85 85 VAL CA C 13 65.994 0.051 . 1 . . . . . 275 Val CA . 26791 1 491 . 1 1 85 85 VAL CB C 13 32.003 0.049 . 1 . . . . . 275 Val CB . 26791 1 492 . 1 1 85 85 VAL N N 15 119.950 0.118 . 1 . . . . . 275 Val N . 26791 1 493 . 1 1 86 86 GLN H H 1 7.718 0.007 . 1 . . . . . 276 Gln H . 26791 1 494 . 1 1 86 86 GLN HA H 1 3.912 0.004 . 1 . . . . . 276 Gln HA . 26791 1 495 . 1 1 86 86 GLN HE21 H 1 7.647 0.002 . 1 . . . . . 276 Gln HE21 . 26791 1 496 . 1 1 86 86 GLN HE22 H 1 6.795 0.001 . 1 . . . . . 276 Gln HE22 . 26791 1 497 . 1 1 86 86 GLN C C 13 177.615 0.023 . 1 . . . . . 276 Gln C . 26791 1 498 . 1 1 86 86 GLN CA C 13 57.934 0.028 . 1 . . . . . 276 Gln CA . 26791 1 499 . 1 1 86 86 GLN CB C 13 30.078 0.028 . 1 . . . . . 276 Gln CB . 26791 1 500 . 1 1 86 86 GLN CG C 13 34.493 0.035 . 1 . . . . . 276 Gln CG . 26791 1 501 . 1 1 86 86 GLN CD C 13 179.993 0.002 . 1 . . . . . 276 Gln CD . 26791 1 502 . 1 1 86 86 GLN N N 15 119.176 0.044 . 1 . . . . . 276 Gln N . 26791 1 503 . 1 1 86 86 GLN NE2 N 15 111.084 0.155 . 1 . . . . . 276 Gln NE2 . 26791 1 504 . 1 1 87 87 SER H H 1 7.702 0.004 . 1 . . . . . 277 Ser H . 26791 1 505 . 1 1 87 87 SER HA H 1 3.887 0.000 . 1 . . . . . 277 Ser HA . 26791 1 506 . 1 1 87 87 SER C C 13 174.524 0.007 . 1 . . . . . 277 Ser C . 26791 1 507 . 1 1 87 87 SER CA C 13 60.707 0.042 . 1 . . . . . 277 Ser CA . 26791 1 508 . 1 1 87 87 SER CB C 13 63.689 0.098 . 1 . . . . . 277 Ser CB . 26791 1 509 . 1 1 87 87 SER N N 15 110.171 0.031 . 1 . . . . . 277 Ser N . 26791 1 510 . 1 1 88 88 ALA H H 1 7.190 0.008 . 1 . . . . . 278 Ala H . 26791 1 511 . 1 1 88 88 ALA HA H 1 4.401 0.002 . 1 . . . . . 278 Ala HA . 26791 1 512 . 1 1 88 88 ALA C C 13 179.692 0.012 . 1 . . . . . 278 Ala C . 26791 1 513 . 1 1 88 88 ALA CA C 13 55.299 0.054 . 1 . . . . . 278 Ala CA . 26791 1 514 . 1 1 88 88 ALA CB C 13 18.649 0.007 . 1 . . . . . 278 Ala CB . 26791 1 515 . 1 1 88 88 ALA N N 15 122.444 0.035 . 1 . . . . . 278 Ala N . 26791 1 516 . 1 1 89 89 ARG H H 1 7.171 0.009 . 1 . . . . . 279 Arg H . 26791 1 517 . 1 1 89 89 ARG HA H 1 4.234 0.013 . 1 . . . . . 279 Arg HA . 26791 1 518 . 1 1 89 89 ARG C C 13 175.428 0.013 . 1 . . . . . 279 Arg C . 26791 1 519 . 1 1 89 89 ARG CA C 13 56.512 0.026 . 1 . . . . . 279 Arg CA . 26791 1 520 . 1 1 89 89 ARG CB C 13 30.005 0.034 . 1 . . . . . 279 Arg CB . 26791 1 521 . 1 1 89 89 ARG CG C 13 26.351 0.000 . 1 . . . . . 279 Arg CG . 26791 1 522 . 1 1 89 89 ARG CD C 13 43.499 0.000 . 1 . . . . . 279 Arg CD . 26791 1 523 . 1 1 89 89 ARG N N 15 113.037 0.045 . 1 . . . . . 279 Arg N . 26791 1 524 . 1 1 90 90 PHE H H 1 7.244 0.008 . 1 . . . . . 280 Phe H . 26791 1 525 . 1 1 90 90 PHE HA H 1 5.169 0.001 . 1 . . . . . 280 Phe HA . 26791 1 526 . 1 1 90 90 PHE C C 13 175.952 0.000 . 1 . . . . . 280 Phe C . 26791 1 527 . 1 1 90 90 PHE CA C 13 53.925 0.070 . 1 . . . . . 280 Phe CA . 26791 1 528 . 1 1 90 90 PHE CB C 13 36.357 0.038 . 1 . . . . . 280 Phe CB . 26791 1 529 . 1 1 90 90 PHE N N 15 116.002 0.038 . 1 . . . . . 280 Phe N . 26791 1 530 . 1 1 91 91 TRP H H 1 6.612 0.014 . 1 . . . . . 281 Trp H . 26791 1 531 . 1 1 91 91 TRP HA H 1 4.650 0.016 . 1 . . . . . 281 Trp HA . 26791 1 532 . 1 1 91 91 TRP C C 13 177.073 0.004 . 1 . . . . . 281 Trp C . 26791 1 533 . 1 1 91 91 TRP CA C 13 57.321 0.023 . 1 . . . . . 281 Trp CA . 26791 1 534 . 1 1 91 91 TRP CB C 13 31.078 0.000 . 1 . . . . . 281 Trp CB . 26791 1 535 . 1 1 91 91 TRP N N 15 119.020 0.121 . 1 . . . . . 281 Trp N . 26791 1 536 . 1 1 92 92 ILE H H 1 9.061 0.006 . 1 . . . . . 282 Ile H . 26791 1 537 . 1 1 92 92 ILE CA C 13 61.465 0.075 . 1 . . . . . 282 Ile CA . 26791 1 538 . 1 1 92 92 ILE CB C 13 40.083 0.000 . 1 . . . . . 282 Ile CB . 26791 1 539 . 1 1 92 92 ILE N N 15 126.211 0.065 . 1 . . . . . 282 Ile N . 26791 1 540 . 1 1 93 93 PRO C C 13 177.647 0.005 . 1 . . . . . 283 Pro C . 26791 1 541 . 1 1 93 93 PRO CA C 13 64.820 0.019 . 1 . . . . . 283 Pro CA . 26791 1 542 . 1 1 93 93 PRO CB C 13 31.312 0.043 . 1 . . . . . 283 Pro CB . 26791 1 543 . 1 1 93 93 PRO CG C 13 28.098 0.000 . 1 . . . . . 283 Pro CG . 26791 1 544 . 1 1 93 93 PRO CD C 13 51.138 0.000 . 1 . . . . . 283 Pro CD . 26791 1 545 . 1 1 94 94 GLY H H 1 8.786 0.005 . 1 . . . . . 284 Gly H . 26791 1 546 . 1 1 94 94 GLY HA2 H 1 4.436 0.003 . 2 . . . . . 284 Gly HA2 . 26791 1 547 . 1 1 94 94 GLY HA3 H 1 3.590 0.008 . 2 . . . . . 284 Gly HA3 . 26791 1 548 . 1 1 94 94 GLY C C 13 173.937 0.018 . 1 . . . . . 284 Gly C . 26791 1 549 . 1 1 94 94 GLY CA C 13 45.045 0.014 . 1 . . . . . 284 Gly CA . 26791 1 550 . 1 1 94 94 GLY N N 15 114.873 0.042 . 1 . . . . . 284 Gly N . 26791 1 551 . 1 1 95 95 GLU H H 1 8.857 0.004 . 1 . . . . . 285 Glu H . 26791 1 552 . 1 1 95 95 GLU HA H 1 4.735 0.007 . 1 . . . . . 285 Glu HA . 26791 1 553 . 1 1 95 95 GLU CA C 13 52.650 0.000 . 1 . . . . . 285 Glu CA . 26791 1 554 . 1 1 95 95 GLU CB C 13 29.384 0.000 . 1 . . . . . 285 Glu CB . 26791 1 555 . 1 1 95 95 GLU N N 15 120.448 0.042 . 1 . . . . . 285 Glu N . 26791 1 556 . 1 1 98 98 ASN CA C 13 58.305 0.033 . 1 . . . . . 288 Asn CA . 26791 1 557 . 1 1 99 99 ALA H H 1 8.432 0.008 . 1 . . . . . 289 Ala H . 26791 1 558 . 1 1 99 99 ALA C C 13 178.237 0.000 . 1 . . . . . 289 Ala C . 26791 1 559 . 1 1 99 99 ALA CA C 13 52.824 0.065 . 1 . . . . . 289 Ala CA . 26791 1 560 . 1 1 99 99 ALA CB C 13 19.200 0.099 . 1 . . . . . 289 Ala CB . 26791 1 561 . 1 1 99 99 ALA N N 15 125.746 0.048 . 1 . . . . . 289 Ala N . 26791 1 562 . 1 1 100 100 GLY H H 1 8.412 0.004 . 1 . . . . . 290 Gly H . 26791 1 563 . 1 1 100 100 GLY HA2 H 1 3.990 0.007 . 1 . . . . . 290 Gly HA2 . 26791 1 564 . 1 1 100 100 GLY C C 13 176.790 0.005 . 1 . . . . . 290 Gly C . 26791 1 565 . 1 1 100 100 GLY CA C 13 45.702 0.023 . 1 . . . . . 290 Gly CA . 26791 1 566 . 1 1 100 100 GLY N N 15 107.473 0.042 . 1 . . . . . 290 Gly N . 26791 1 567 . 1 1 101 101 ASN H H 1 8.749 0.007 . 1 . . . . . 291 Asn H . 26791 1 568 . 1 1 101 101 ASN HA H 1 4.610 0.000 . 1 . . . . . 291 Asn HA . 26791 1 569 . 1 1 101 101 ASN C C 13 175.151 0.019 . 1 . . . . . 291 Asn C . 26791 1 570 . 1 1 101 101 ASN CA C 13 53.177 0.060 . 1 . . . . . 291 Asn CA . 26791 1 571 . 1 1 101 101 ASN CB C 13 38.988 0.077 . 1 . . . . . 291 Asn CB . 26791 1 572 . 1 1 101 101 ASN N N 15 119.600 0.047 . 1 . . . . . 291 Asn N . 26791 1 573 . 1 1 102 102 ASN H H 1 8.538 0.006 . 1 . . . . . 292 Asn H . 26791 1 574 . 1 1 102 102 ASN CA C 13 52.954 0.028 . 1 . . . . . 292 Asn CA . 26791 1 575 . 1 1 102 102 ASN CB C 13 38.876 0.000 . 1 . . . . . 292 Asn CB . 26791 1 576 . 1 1 102 102 ASN N N 15 120.754 0.057 . 1 . . . . . 292 Asn N . 26791 1 577 . 1 1 106 106 GLY H H 1 7.597 0.010 . 1 . . . . . 296 Gly H . 26791 1 578 . 1 1 106 106 GLY C C 13 171.469 0.000 . 1 . . . . . 296 Gly C . 26791 1 579 . 1 1 106 106 GLY CA C 13 44.492 0.040 . 1 . . . . . 296 Gly CA . 26791 1 580 . 1 1 106 106 GLY N N 15 107.775 0.087 . 1 . . . . . 296 Gly N . 26791 1 581 . 1 1 107 107 ASN H H 1 9.289 0.012 . 1 . . . . . 297 Asn H . 26791 1 582 . 1 1 107 107 ASN CA C 13 50.856 0.013 . 1 . . . . . 297 Asn CA . 26791 1 583 . 1 1 107 107 ASN N N 15 116.561 0.047 . 1 . . . . . 297 Asn N . 26791 1 584 . 1 1 108 108 ILE C C 13 173.666 0.013 . 1 . . . . . 298 Ile C . 26791 1 585 . 1 1 108 108 ILE CA C 13 61.875 0.016 . 1 . . . . . 298 Ile CA . 26791 1 586 . 1 1 108 108 ILE CB C 13 40.224 0.025 . 1 . . . . . 298 Ile CB . 26791 1 587 . 1 1 108 108 ILE CG2 C 13 16.665 0.000 . 1 . . . . . 298 Ile CG2 . 26791 1 588 . 1 1 108 108 ILE CD1 C 13 14.865 0.000 . 1 . . . . . 298 Ile CD1 . 26791 1 589 . 1 1 109 109 LYS H H 1 8.614 0.006 . 1 . . . . . 299 Lys H . 26791 1 590 . 1 1 109 109 LYS HA H 1 4.570 0.000 . 1 . . . . . 299 Lys HA . 26791 1 591 . 1 1 109 109 LYS C C 13 175.815 0.002 . 1 . . . . . 299 Lys C . 26791 1 592 . 1 1 109 109 LYS CA C 13 56.458 0.035 . 1 . . . . . 299 Lys CA . 26791 1 593 . 1 1 109 109 LYS CB C 13 35.816 0.025 . 1 . . . . . 299 Lys CB . 26791 1 594 . 1 1 109 109 LYS N N 15 124.030 0.067 . 1 . . . . . 299 Lys N . 26791 1 595 . 1 1 110 110 ALA H H 1 7.815 0.005 . 1 . . . . . 300 Ala H . 26791 1 596 . 1 1 110 110 ALA HA H 1 4.868 0.000 . 1 . . . . . 300 Ala HA . 26791 1 597 . 1 1 110 110 ALA C C 13 175.606 0.015 . 1 . . . . . 300 Ala C . 26791 1 598 . 1 1 110 110 ALA CA C 13 49.844 0.041 . 1 . . . . . 300 Ala CA . 26791 1 599 . 1 1 110 110 ALA CB C 13 20.371 0.000 . 1 . . . . . 300 Ala CB . 26791 1 600 . 1 1 110 110 ALA N N 15 123.735 0.040 . 1 . . . . . 300 Ala N . 26791 1 601 . 1 1 111 111 PRO C C 13 174.270 0.015 . 1 . . . . . 301 Pro C . 26791 1 602 . 1 1 111 111 PRO CA C 13 61.207 0.059 . 1 . . . . . 301 Pro CA . 26791 1 603 . 1 1 111 111 PRO CB C 13 27.725 0.003 . 1 . . . . . 301 Pro CB . 26791 1 604 . 1 1 111 111 PRO CD C 13 49.636 0.000 . 1 . . . . . 301 Pro CD . 26791 1 605 . 1 1 111 111 PRO N N 15 132.764 0.000 . 1 . . . . . 301 Pro N . 26791 1 606 . 1 1 112 112 SER H H 1 7.734 0.005 . 1 . . . . . 302 Ser H . 26791 1 607 . 1 1 112 112 SER HA H 1 3.570 0.006 . 1 . . . . . 302 Ser HA . 26791 1 608 . 1 1 112 112 SER C C 13 170.748 0.011 . 1 . . . . . 302 Ser C . 26791 1 609 . 1 1 112 112 SER CA C 13 55.469 0.034 . 1 . . . . . 302 Ser CA . 26791 1 610 . 1 1 112 112 SER CB C 13 64.106 0.017 . 1 . . . . . 302 Ser CB . 26791 1 611 . 1 1 112 112 SER N N 15 118.763 0.070 . 1 . . . . . 302 Ser N . 26791 1 612 . 1 1 113 113 LEU H H 1 7.898 0.005 . 1 . . . . . 303 Leu H . 26791 1 613 . 1 1 113 113 LEU HA H 1 4.560 0.000 . 1 . . . . . 303 Leu HA . 26791 1 614 . 1 1 113 113 LEU C C 13 179.016 0.021 . 1 . . . . . 303 Leu C . 26791 1 615 . 1 1 113 113 LEU CA C 13 58.418 0.034 . 1 . . . . . 303 Leu CA . 26791 1 616 . 1 1 113 113 LEU CB C 13 42.384 0.095 . 1 . . . . . 303 Leu CB . 26791 1 617 . 1 1 113 113 LEU CG C 13 27.206 0.000 . 1 . . . . . 303 Leu CG . 26791 1 618 . 1 1 113 113 LEU CD1 C 13 25.347 0.000 . 1 . . . . . 303 Leu CD1 . 26791 1 619 . 1 1 113 113 LEU N N 15 119.453 0.028 . 1 . . . . . 303 Leu N . 26791 1 620 . 1 1 114 114 GLN H H 1 7.323 0.004 . 1 . . . . . 304 Gln H . 26791 1 621 . 1 1 114 114 GLN HA H 1 3.916 0.016 . 1 . . . . . 304 Gln HA . 26791 1 622 . 1 1 114 114 GLN HE21 H 1 6.896 0.019 . 1 . . . . . 304 Gln HE21 . 26791 1 623 . 1 1 114 114 GLN HE22 H 1 7.954 0.001 . 1 . . . . . 304 Gln HE22 . 26791 1 624 . 1 1 114 114 GLN C C 13 173.144 0.003 . 1 . . . . . 304 Gln C . 26791 1 625 . 1 1 114 114 GLN CA C 13 55.184 0.084 . 1 . . . . . 304 Gln CA . 26791 1 626 . 1 1 114 114 GLN CB C 13 27.542 0.094 . 1 . . . . . 304 Gln CB . 26791 1 627 . 1 1 114 114 GLN CG C 13 34.517 0.036 . 1 . . . . . 304 Gln CG . 26791 1 628 . 1 1 114 114 GLN CD C 13 175.002 0.006 . 1 . . . . . 304 Gln CD . 26791 1 629 . 1 1 114 114 GLN N N 15 114.590 0.036 . 1 . . . . . 304 Gln N . 26791 1 630 . 1 1 114 114 GLN NE2 N 15 113.243 0.100 . 1 . . . . . 304 Gln NE2 . 26791 1 631 . 1 1 115 115 ALA H H 1 6.890 0.006 . 1 . . . . . 305 Ala H . 26791 1 632 . 1 1 115 115 ALA HA H 1 4.732 0.004 . 1 . . . . . 305 Ala HA . 26791 1 633 . 1 1 115 115 ALA C C 13 179.975 0.050 . 1 . . . . . 305 Ala C . 26791 1 634 . 1 1 115 115 ALA CA C 13 53.615 0.031 . 1 . . . . . 305 Ala CA . 26791 1 635 . 1 1 115 115 ALA CB C 13 24.303 0.044 . 1 . . . . . 305 Ala CB . 26791 1 636 . 1 1 115 115 ALA N N 15 123.937 0.037 . 1 . . . . . 305 Ala N . 26791 1 637 . 1 1 116 116 TRP H H 1 9.078 0.009 . 1 . . . . . 306 Trp H . 26791 1 638 . 1 1 116 116 TRP HA H 1 5.916 0.008 . 1 . . . . . 306 Trp HA . 26791 1 639 . 1 1 116 116 TRP C C 13 176.294 0.000 . 1 . . . . . 306 Trp C . 26791 1 640 . 1 1 116 116 TRP CA C 13 55.401 0.048 . 1 . . . . . 306 Trp CA . 26791 1 641 . 1 1 116 116 TRP CB C 13 31.471 0.000 . 1 . . . . . 306 Trp CB . 26791 1 642 . 1 1 116 116 TRP N N 15 117.589 0.065 . 1 . . . . . 306 Trp N . 26791 1 643 . 1 1 120 120 PRO C C 13 176.286 0.017 . 1 . . . . . 310 Pro C . 26791 1 644 . 1 1 120 120 PRO CA C 13 63.646 0.048 . 1 . . . . . 310 Pro CA . 26791 1 645 . 1 1 120 120 PRO CB C 13 32.060 0.004 . 1 . . . . . 310 Pro CB . 26791 1 646 . 1 1 120 120 PRO CG C 13 27.414 0.000 . 1 . . . . . 310 Pro CG . 26791 1 647 . 1 1 120 120 PRO CD C 13 50.930 0.000 . 1 . . . . . 310 Pro CD . 26791 1 648 . 1 1 121 121 CYS H H 1 8.166 0.003 . 1 . . . . . 311 Cys H . 26791 1 649 . 1 1 121 121 CYS C C 13 173.804 0.000 . 1 . . . . . 311 Cys C . 26791 1 650 . 1 1 121 121 CYS CA C 13 57.517 0.024 . 1 . . . . . 311 Cys CA . 26791 1 651 . 1 1 121 121 CYS CB C 13 46.005 0.000 . 1 . . . . . 311 Cys CB . 26791 1 652 . 1 1 121 121 CYS N N 15 126.287 0.034 . 1 . . . . . 311 Cys N . 26791 1 653 . 1 1 122 122 ASP H H 1 8.646 0.005 . 1 . . . . . 312 Asp H . 26791 1 654 . 1 1 122 122 ASP HA H 1 4.807 0.005 . 1 . . . . . 312 Asp HA . 26791 1 655 . 1 1 122 122 ASP C C 13 176.748 0.015 . 1 . . . . . 312 Asp C . 26791 1 656 . 1 1 122 122 ASP CA C 13 53.903 0.061 . 1 . . . . . 312 Asp CA . 26791 1 657 . 1 1 122 122 ASP CB C 13 40.066 0.055 . 1 . . . . . 312 Asp CB . 26791 1 658 . 1 1 122 122 ASP N N 15 114.294 0.068 . 1 . . . . . 312 Asp N . 26791 1 659 . 1 1 123 123 LYS H H 1 8.017 0.013 . 1 . . . . . 313 Lys H . 26791 1 660 . 1 1 123 123 LYS HA H 1 4.363 0.016 . 1 . . . . . 313 Lys HA . 26791 1 661 . 1 1 123 123 LYS C C 13 175.428 0.023 . 1 . . . . . 313 Lys C . 26791 1 662 . 1 1 123 123 LYS CB C 13 32.632 0.040 . 1 . . . . . 313 Lys CB . 26791 1 663 . 1 1 123 123 LYS N N 15 120.254 0.100 . 1 . . . . . 313 Lys N . 26791 1 664 . 1 1 124 124 THR H H 1 7.603 0.004 . 1 . . . . . 314 Thr H . 26791 1 665 . 1 1 124 124 THR HA H 1 4.555 0.000 . 1 . . . . . 314 Thr HA . 26791 1 666 . 1 1 124 124 THR C C 13 174.004 0.014 . 1 . . . . . 314 Thr C . 26791 1 667 . 1 1 124 124 THR CA C 13 58.380 0.012 . 1 . . . . . 314 Thr CA . 26791 1 668 . 1 1 124 124 THR CB C 13 69.626 0.074 . 1 . . . . . 314 Thr CB . 26791 1 669 . 1 1 124 124 THR CG2 C 13 21.954 0.000 . 1 . . . . . 314 Thr CG2 . 26791 1 670 . 1 1 124 124 THR N N 15 108.715 0.064 . 1 . . . . . 314 Thr N . 26791 1 671 . 1 1 125 125 PHE H H 1 8.356 0.008 . 1 . . . . . 315 Phe H . 26791 1 672 . 1 1 125 125 PHE HA H 1 5.077 0.003 . 1 . . . . . 315 Phe HA . 26791 1 673 . 1 1 125 125 PHE C C 13 176.503 0.025 . 1 . . . . . 315 Phe C . 26791 1 674 . 1 1 125 125 PHE CA C 13 55.658 0.083 . 1 . . . . . 315 Phe CA . 26791 1 675 . 1 1 125 125 PHE CB C 13 43.472 0.154 . 1 . . . . . 315 Phe CB . 26791 1 676 . 1 1 125 125 PHE N N 15 123.276 0.116 . 1 . . . . . 315 Phe N . 26791 1 677 . 1 1 126 126 LEU H H 1 7.676 0.005 . 1 . . . . . 316 Leu H . 26791 1 678 . 1 1 126 126 LEU C C 13 173.948 0.018 . 1 . . . . . 316 Leu C . 26791 1 679 . 1 1 126 126 LEU CA C 13 56.253 0.023 . 1 . . . . . 316 Leu CA . 26791 1 680 . 1 1 126 126 LEU CB C 13 41.287 0.011 . 1 . . . . . 316 Leu CB . 26791 1 681 . 1 1 126 126 LEU N N 15 118.420 0.081 . 1 . . . . . 316 Leu N . 26791 1 682 . 1 1 127 127 PHE H H 1 8.273 0.006 . 1 . . . . . 317 Phe H . 26791 1 683 . 1 1 127 127 PHE HA H 1 5.873 0.005 . 1 . . . . . 317 Phe HA . 26791 1 684 . 1 1 127 127 PHE C C 13 172.627 0.015 . 1 . . . . . 317 Phe C . 26791 1 685 . 1 1 127 127 PHE CA C 13 56.501 0.048 . 1 . . . . . 317 Phe CA . 26791 1 686 . 1 1 127 127 PHE CB C 13 43.416 0.080 . 1 . . . . . 317 Phe CB . 26791 1 687 . 1 1 127 127 PHE N N 15 113.047 0.042 . 1 . . . . . 317 Phe N . 26791 1 688 . 1 1 128 128 ILE H H 1 7.528 0.010 . 1 . . . . . 318 Ile H . 26791 1 689 . 1 1 128 128 ILE HA H 1 5.649 0.003 . 1 . . . . . 318 Ile HA . 26791 1 690 . 1 1 128 128 ILE C C 13 177.256 0.013 . 1 . . . . . 318 Ile C . 26791 1 691 . 1 1 128 128 ILE CA C 13 59.284 0.093 . 1 . . . . . 318 Ile CA . 26791 1 692 . 1 1 128 128 ILE CB C 13 41.639 0.002 . 1 . . . . . 318 Ile CB . 26791 1 693 . 1 1 128 128 ILE CG2 C 13 17.515 0.000 . 1 . . . . . 318 Ile CG2 . 26791 1 694 . 1 1 128 128 ILE CD1 C 13 15.156 0.000 . 1 . . . . . 318 Ile CD1 . 26791 1 695 . 1 1 128 128 ILE N N 15 118.601 0.038 . 1 . . . . . 318 Ile N . 26791 1 696 . 1 1 129 129 CYS H H 1 9.093 0.003 . 1 . . . . . 319 Cys H . 26791 1 697 . 1 1 129 129 CYS HA H 1 5.719 0.008 . 1 . . . . . 319 Cys HA . 26791 1 698 . 1 1 129 129 CYS C C 13 174.417 0.014 . 1 . . . . . 319 Cys C . 26791 1 699 . 1 1 129 129 CYS CA C 13 52.019 0.049 . 1 . . . . . 319 Cys CA . 26791 1 700 . 1 1 129 129 CYS CB C 13 40.522 0.022 . 1 . . . . . 319 Cys CB . 26791 1 701 . 1 1 129 129 CYS N N 15 124.166 0.058 . 1 . . . . . 319 Cys N . 26791 1 702 . 1 1 130 130 LYS H H 1 9.684 0.003 . 1 . . . . . 320 Lys H . 26791 1 703 . 1 1 130 130 LYS HA H 1 5.633 0.008 . 1 . . . . . 320 Lys HA . 26791 1 704 . 1 1 130 130 LYS C C 13 175.489 0.021 . 1 . . . . . 320 Lys C . 26791 1 705 . 1 1 130 130 LYS CA C 13 55.544 0.059 . 1 . . . . . 320 Lys CA . 26791 1 706 . 1 1 130 130 LYS CB C 13 36.480 0.089 . 1 . . . . . 320 Lys CB . 26791 1 707 . 1 1 130 130 LYS N N 15 123.742 0.027 . 1 . . . . . 320 Lys N . 26791 1 708 . 1 1 131 131 ARG H H 1 9.523 0.005 . 1 . . . . . 321 Arg H . 26791 1 709 . 1 1 131 131 ARG HA H 1 5.172 0.015 . 1 . . . . . 321 Arg HA . 26791 1 710 . 1 1 131 131 ARG C C 13 172.019 0.023 . 1 . . . . . 321 Arg C . 26791 1 711 . 1 1 131 131 ARG CA C 13 53.151 0.015 . 1 . . . . . 321 Arg CA . 26791 1 712 . 1 1 131 131 ARG CB C 13 33.288 0.000 . 1 . . . . . 321 Arg CB . 26791 1 713 . 1 1 131 131 ARG N N 15 126.806 0.065 . 1 . . . . . 321 Arg N . 26791 1 714 . 1 1 132 132 PRO C C 13 177.024 0.002 . 1 . . . . . 322 Pro C . 26791 1 715 . 1 1 132 132 PRO CA C 13 63.062 0.011 . 1 . . . . . 322 Pro CA . 26791 1 716 . 1 1 132 132 PRO CB C 13 32.458 0.000 . 1 . . . . . 322 Pro CB . 26791 1 717 . 1 1 132 132 PRO CG C 13 27.638 0.073 . 1 . . . . . 322 Pro CG . 26791 1 718 . 1 1 132 132 PRO CD C 13 51.154 0.000 . 1 . . . . . 322 Pro CD . 26791 1 719 . 1 1 132 132 PRO N N 15 136.351 0.000 . 1 . . . . . 322 Pro N . 26791 1 720 . 1 1 133 133 TYR H H 1 8.044 0.008 . 1 . . . . . 323 Tyr H . 26791 1 721 . 1 1 133 133 TYR HA H 1 4.715 0.007 . 1 . . . . . 323 Tyr HA . 26791 1 722 . 1 1 133 133 TYR C C 13 174.265 0.013 . 1 . . . . . 323 Tyr C . 26791 1 723 . 1 1 133 133 TYR CA C 13 57.805 0.027 . 1 . . . . . 323 Tyr CA . 26791 1 724 . 1 1 133 133 TYR CB C 13 38.986 0.000 . 1 . . . . . 323 Tyr CB . 26791 1 725 . 1 1 133 133 TYR N N 15 120.740 0.061 . 1 . . . . . 323 Tyr N . 26791 1 726 . 1 1 134 134 VAL H H 1 7.921 0.011 . 1 . . . . . 324 Val H . 26791 1 727 . 1 1 134 134 VAL HA H 1 4.226 0.004 . 1 . . . . . 324 Val HA . 26791 1 728 . 1 1 134 134 VAL C C 13 173.382 0.019 . 1 . . . . . 324 Val C . 26791 1 729 . 1 1 134 134 VAL CA C 13 58.939 0.010 . 1 . . . . . 324 Val CA . 26791 1 730 . 1 1 134 134 VAL CB C 13 33.462 0.000 . 1 . . . . . 324 Val CB . 26791 1 731 . 1 1 134 134 VAL N N 15 129.317 0.058 . 1 . . . . . 324 Val N . 26791 1 732 . 1 1 135 135 PRO C C 13 176.665 0.013 . 1 . . . . . 325 Pro C . 26791 1 733 . 1 1 135 135 PRO CA C 13 63.140 0.095 . 1 . . . . . 325 Pro CA . 26791 1 734 . 1 1 135 135 PRO CB C 13 32.003 0.039 . 1 . . . . . 325 Pro CB . 26791 1 735 . 1 1 135 135 PRO CG C 13 27.155 0.000 . 1 . . . . . 325 Pro CG . 26791 1 736 . 1 1 135 135 PRO CD C 13 50.969 0.000 . 1 . . . . . 325 Pro CD . 26791 1 737 . 1 1 135 135 PRO N N 15 137.948 0.000 . 1 . . . . . 325 Pro N . 26791 1 738 . 1 1 136 136 SER H H 1 8.141 0.008 . 1 . . . . . 326 Ser H . 26791 1 739 . 1 1 136 136 SER HA H 1 4.384 0.000 . 1 . . . . . 326 Ser HA . 26791 1 740 . 1 1 136 136 SER C C 13 174.255 0.014 . 1 . . . . . 326 Ser C . 26791 1 741 . 1 1 136 136 SER CA C 13 58.520 0.038 . 1 . . . . . 326 Ser CA . 26791 1 742 . 1 1 136 136 SER CB C 13 63.763 0.064 . 1 . . . . . 326 Ser CB . 26791 1 743 . 1 1 136 136 SER N N 15 114.613 0.068 . 1 . . . . . 326 Ser N . 26791 1 744 . 1 1 137 137 GLU H H 1 8.182 0.004 . 1 . . . . . 327 Glu H . 26791 1 745 . 1 1 137 137 GLU C C 13 174.587 0.020 . 1 . . . . . 327 Glu C . 26791 1 746 . 1 1 137 137 GLU CA C 13 54.438 0.008 . 1 . . . . . 327 Glu CA . 26791 1 747 . 1 1 137 137 GLU CB C 13 29.839 0.000 . 1 . . . . . 327 Glu CB . 26791 1 748 . 1 1 137 137 GLU N N 15 123.160 0.038 . 1 . . . . . 327 Glu N . 26791 1 749 . 1 1 138 138 PRO C C 13 177.765 0.018 . 1 . . . . . 328 Pro C . 26791 1 750 . 1 1 138 138 PRO CA C 13 64.008 0.013 . 1 . . . . . 328 Pro CA . 26791 1 751 . 1 1 138 138 PRO CB C 13 31.943 0.027 . 1 . . . . . 328 Pro CB . 26791 1 752 . 1 1 138 138 PRO CG C 13 27.583 0.000 . 1 . . . . . 328 Pro CG . 26791 1 753 . 1 1 138 138 PRO CD C 13 50.878 0.000 . 1 . . . . . 328 Pro CD . 26791 1 754 . 1 1 138 138 PRO N N 15 138.220 0.000 . 1 . . . . . 328 Pro N . 26791 1 755 . 1 1 139 139 GLY H H 1 8.792 0.006 . 1 . . . . . 329 Gly H . 26791 1 756 . 1 1 139 139 GLY HA2 H 1 4.175 0.000 . 2 . . . . . 329 Gly HA2 . 26791 1 757 . 1 1 139 139 GLY HA3 H 1 3.969 0.009 . 2 . . . . . 329 Gly HA3 . 26791 1 758 . 1 1 139 139 GLY C C 13 175.028 0.008 . 1 . . . . . 329 Gly C . 26791 1 759 . 1 1 139 139 GLY CA C 13 45.534 0.020 . 1 . . . . . 329 Gly CA . 26791 1 760 . 1 1 139 139 GLY N N 15 110.734 0.024 . 1 . . . . . 329 Gly N . 26791 1 761 . 1 1 140 140 SER H H 1 8.172 0.005 . 1 . . . . . 330 Ser H . 26791 1 762 . 1 1 140 140 SER HA H 1 4.483 0.001 . 1 . . . . . 330 Ser HA . 26791 1 763 . 1 1 140 140 SER C C 13 175.051 0.020 . 1 . . . . . 330 Ser C . 26791 1 764 . 1 1 140 140 SER CA C 13 59.041 0.056 . 1 . . . . . 330 Ser CA . 26791 1 765 . 1 1 140 140 SER CB C 13 63.997 0.021 . 1 . . . . . 330 Ser CB . 26791 1 766 . 1 1 140 140 SER N N 15 115.873 0.163 . 1 . . . . . 330 Ser N . 26791 1 767 . 1 1 141 141 GLU H H 1 8.910 0.003 . 1 . . . . . 331 Glu H . 26791 1 768 . 1 1 141 141 GLU C C 13 176.538 0.005 . 1 . . . . . 331 Glu C . 26791 1 769 . 1 1 141 141 GLU CA C 13 57.623 0.063 . 1 . . . . . 331 Glu CA . 26791 1 770 . 1 1 141 141 GLU CB C 13 29.692 0.036 . 1 . . . . . 331 Glu CB . 26791 1 771 . 1 1 141 141 GLU N N 15 122.470 0.067 . 1 . . . . . 331 Glu N . 26791 1 772 . 1 1 142 142 ASN H H 1 8.341 0.009 . 1 . . . . . 332 Asn H . 26791 1 773 . 1 1 142 142 ASN HD21 H 1 6.934 0.006 . 1 . . . . . 332 Asn HD21 . 26791 1 774 . 1 1 142 142 ASN HD22 H 1 7.585 0.006 . 1 . . . . . 332 Asn HD22 . 26791 1 775 . 1 1 142 142 ASN C C 13 175.351 0.015 . 1 . . . . . 332 Asn C . 26791 1 776 . 1 1 142 142 ASN CA C 13 53.582 0.056 . 1 . . . . . 332 Asn CA . 26791 1 777 . 1 1 142 142 ASN CB C 13 38.799 0.056 . 1 . . . . . 332 Asn CB . 26791 1 778 . 1 1 142 142 ASN CG C 13 176.966 0.000 . 1 . . . . . 332 Asn CG . 26791 1 779 . 1 1 142 142 ASN N N 15 118.480 0.055 . 1 . . . . . 332 Asn N . 26791 1 780 . 1 1 142 142 ASN ND2 N 15 112.759 0.033 . 1 . . . . . 332 Asn ND2 . 26791 1 781 . 1 1 143 143 LEU H H 1 7.969 0.011 . 1 . . . . . 333 Leu H . 26791 1 782 . 1 1 143 143 LEU C C 13 177.174 0.011 . 1 . . . . . 333 Leu C . 26791 1 783 . 1 1 143 143 LEU CA C 13 55.690 0.052 . 1 . . . . . 333 Leu CA . 26791 1 784 . 1 1 143 143 LEU CB C 13 42.216 0.033 . 1 . . . . . 333 Leu CB . 26791 1 785 . 1 1 143 143 LEU N N 15 121.631 0.067 . 1 . . . . . 333 Leu N . 26791 1 786 . 1 1 144 144 TYR H H 1 7.983 0.008 . 1 . . . . . 334 Tyr H . 26791 1 787 . 1 1 144 144 TYR C C 13 175.693 0.004 . 1 . . . . . 334 Tyr C . 26791 1 788 . 1 1 144 144 TYR CA C 13 58.166 0.046 . 1 . . . . . 334 Tyr CA . 26791 1 789 . 1 1 144 144 TYR CB C 13 38.670 0.010 . 1 . . . . . 334 Tyr CB . 26791 1 790 . 1 1 144 144 TYR N N 15 119.144 0.058 . 1 . . . . . 334 Tyr N . 26791 1 791 . 1 1 145 145 PHE H H 1 7.935 0.015 . 1 . . . . . 335 Phe H . 26791 1 792 . 1 1 145 145 PHE C C 13 175.601 0.045 . 1 . . . . . 335 Phe C . 26791 1 793 . 1 1 145 145 PHE CA C 13 57.816 0.052 . 1 . . . . . 335 Phe CA . 26791 1 794 . 1 1 145 145 PHE CB C 13 39.497 0.021 . 1 . . . . . 335 Phe CB . 26791 1 795 . 1 1 145 145 PHE N N 15 120.583 0.228 . 1 . . . . . 335 Phe N . 26791 1 796 . 1 1 146 146 GLN H H 1 8.243 0.005 . 1 . . . . . 336 Gln H . 26791 1 797 . 1 1 146 146 GLN C C 13 176.280 0.027 . 1 . . . . . 336 Gln C . 26791 1 798 . 1 1 146 146 GLN CA C 13 56.231 0.026 . 1 . . . . . 336 Gln CA . 26791 1 799 . 1 1 146 146 GLN CB C 13 29.309 0.017 . 1 . . . . . 336 Gln CB . 26791 1 800 . 1 1 146 146 GLN N N 15 121.596 0.059 . 1 . . . . . 336 Gln N . 26791 1 801 . 1 1 147 147 GLY H H 1 8.052 0.006 . 1 . . . . . 337 Gly H . 26791 1 802 . 1 1 147 147 GLY HA2 H 1 4.000 0.019 . 1 . . . . . 337 Gly HA2 . 26791 1 803 . 1 1 147 147 GLY C C 13 174.300 0.018 . 1 . . . . . 337 Gly C . 26791 1 804 . 1 1 147 147 GLY CA C 13 45.532 0.014 . 1 . . . . . 337 Gly CA . 26791 1 805 . 1 1 147 147 GLY N N 15 109.372 0.101 . 1 . . . . . 337 Gly N . 26791 1 806 . 1 1 148 148 SER H H 1 8.201 0.006 . 1 . . . . . 338 Ser H . 26791 1 807 . 1 1 148 148 SER C C 13 174.671 0.023 . 1 . . . . . 338 Ser C . 26791 1 808 . 1 1 148 148 SER CA C 13 58.512 0.051 . 1 . . . . . 338 Ser CA . 26791 1 809 . 1 1 148 148 SER CB C 13 64.041 0.002 . 1 . . . . . 338 Ser CB . 26791 1 810 . 1 1 148 148 SER N N 15 115.577 0.057 . 1 . . . . . 338 Ser N . 26791 1 811 . 1 1 149 149 ALA H H 1 8.346 0.006 . 1 . . . . . 339 Ala H . 26791 1 812 . 1 1 149 149 ALA C C 13 177.463 0.011 . 1 . . . . . 339 Ala C . 26791 1 813 . 1 1 149 149 ALA CA C 13 53.039 0.020 . 1 . . . . . 339 Ala CA . 26791 1 814 . 1 1 149 149 ALA CB C 13 18.975 0.027 . 1 . . . . . 339 Ala CB . 26791 1 815 . 1 1 149 149 ALA N N 15 125.208 0.041 . 1 . . . . . 339 Ala N . 26791 1 816 . 1 1 150 150 TRP H H 1 7.900 0.004 . 1 . . . . . 340 Trp H . 26791 1 817 . 1 1 150 150 TRP C C 13 176.168 0.070 . 1 . . . . . 340 Trp C . 26791 1 818 . 1 1 150 150 TRP CA C 13 57.151 0.026 . 1 . . . . . 340 Trp CA . 26791 1 819 . 1 1 150 150 TRP CB C 13 29.651 0.034 . 1 . . . . . 340 Trp CB . 26791 1 820 . 1 1 150 150 TRP N N 15 118.735 0.044 . 1 . . . . . 340 Trp N . 26791 1 821 . 1 1 151 151 SER H H 1 7.892 0.004 . 1 . . . . . 341 Ser H . 26791 1 822 . 1 1 151 151 SER C C 13 173.503 0.046 . 1 . . . . . 341 Ser C . 26791 1 823 . 1 1 151 151 SER CA C 13 58.160 0.060 . 1 . . . . . 341 Ser CA . 26791 1 824 . 1 1 151 151 SER CB C 13 64.003 0.023 . 1 . . . . . 341 Ser CB . 26791 1 825 . 1 1 151 151 SER N N 15 116.589 0.114 . 1 . . . . . 341 Ser N . 26791 1 826 . 1 1 152 152 HIS H H 1 8.164 0.010 . 1 . . . . . 342 His H . 26791 1 827 . 1 1 152 152 HIS C C 13 172.798 0.007 . 1 . . . . . 342 His C . 26791 1 828 . 1 1 152 152 HIS CA C 13 53.959 0.013 . 1 . . . . . 342 His CA . 26791 1 829 . 1 1 152 152 HIS CB C 13 29.465 0.000 . 1 . . . . . 342 His CB . 26791 1 830 . 1 1 152 152 HIS N N 15 121.097 0.113 . 1 . . . . . 342 His N . 26791 1 831 . 1 1 153 153 PRO C C 13 176.814 0.021 . 1 . . . . . 343 Pro C . 26791 1 832 . 1 1 153 153 PRO CA C 13 63.435 0.016 . 1 . . . . . 343 Pro CA . 26791 1 833 . 1 1 153 153 PRO CB C 13 32.147 0.008 . 1 . . . . . 343 Pro CB . 26791 1 834 . 1 1 153 153 PRO CG C 13 27.450 0.000 . 1 . . . . . 343 Pro CG . 26791 1 835 . 1 1 153 153 PRO CD C 13 50.852 0.000 . 1 . . . . . 343 Pro CD . 26791 1 836 . 1 1 153 153 PRO N N 15 137.894 0.000 . 1 . . . . . 343 Pro N . 26791 1 837 . 1 1 154 154 GLN H H 1 8.641 0.008 . 1 . . . . . 344 Gln H . 26791 1 838 . 1 1 154 154 GLN HE21 H 1 7.488 0.001 . 1 . . . . . 344 Gln HE21 . 26791 1 839 . 1 1 154 154 GLN C C 13 175.649 0.013 . 1 . . . . . 344 Gln C . 26791 1 840 . 1 1 154 154 GLN CA C 13 56.098 0.046 . 1 . . . . . 344 Gln CA . 26791 1 841 . 1 1 154 154 GLN CB C 13 29.507 0.010 . 1 . . . . . 344 Gln CB . 26791 1 842 . 1 1 154 154 GLN CG C 13 33.763 0.010 . 1 . . . . . 344 Gln CG . 26791 1 843 . 1 1 154 154 GLN N N 15 120.670 0.079 . 1 . . . . . 344 Gln N . 26791 1 844 . 1 1 154 154 GLN NE2 N 15 112.377 0.051 . 1 . . . . . 344 Gln NE2 . 26791 1 845 . 1 1 155 155 PHE H H 1 8.210 0.011 . 1 . . . . . 345 Phe H . 26791 1 846 . 1 1 155 155 PHE HA H 1 4.748 0.000 . 1 . . . . . 345 Phe HA . 26791 1 847 . 1 1 155 155 PHE C C 13 175.522 0.011 . 1 . . . . . 345 Phe C . 26791 1 848 . 1 1 155 155 PHE CA C 13 57.426 0.015 . 1 . . . . . 345 Phe CA . 26791 1 849 . 1 1 155 155 PHE CB C 13 39.734 0.026 . 1 . . . . . 345 Phe CB . 26791 1 850 . 1 1 155 155 PHE N N 15 120.298 0.171 . 1 . . . . . 345 Phe N . 26791 1 851 . 1 1 156 156 GLU H H 1 8.361 0.004 . 1 . . . . . 346 Glu H . 26791 1 852 . 1 1 156 156 GLU C C 13 175.210 0.027 . 1 . . . . . 346 Glu C . 26791 1 853 . 1 1 156 156 GLU CA C 13 56.630 0.026 . 1 . . . . . 346 Glu CA . 26791 1 854 . 1 1 156 156 GLU CB C 13 30.694 0.015 . 1 . . . . . 346 Glu CB . 26791 1 855 . 1 1 156 156 GLU N N 15 122.645 0.166 . 1 . . . . . 346 Glu N . 26791 1 856 . 1 1 157 157 LYS H H 1 7.964 0.015 . 1 . . . . . 347 Lys H . 26791 1 857 . 1 1 157 157 LYS C C 13 171.829 0.000 . 1 . . . . . 347 Lys C . 26791 1 858 . 1 1 157 157 LYS CA C 13 57.820 0.003 . 1 . . . . . 347 Lys CA . 26791 1 859 . 1 1 157 157 LYS CB C 13 33.840 0.000 . 1 . . . . . 347 Lys CB . 26791 1 860 . 1 1 157 157 LYS N N 15 127.129 0.056 . 1 . . . . . 347 Lys N . 26791 1 stop_ save_ ######################## # Coupling constants # ######################## save_holo_LangCRD_3Jc _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode holo_LangCRD_3Jc _Coupling_constant_list.Entry_ID 26791 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 2 _Coupling_constant_list.Sample_condition_list_label $holo_conditions _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 6 '3D HNHA' . . . 26791 1 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 2 $CcpNmr_Analysis . . 26791 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 VAL HN H 1 1 . 1 1 4 4 VAL HA H 1 1 7.98584 . . 0.03172 . . . . 194 VAL H 1 . 194 VAL HA . 26791 1 2 3JHNHA . 1 1 5 5 VAL HN H 1 1 . 1 1 5 5 VAL HA H 1 1 7.97119 . . 0.03164 . . . . 195 VAL H 1 . 195 VAL HA . 26791 1 3 3JHNHA . 1 1 6 6 SER HN H 1 1 . 1 1 6 6 SER HA H 1 1 7.41385 . . 0.11733 . . . . 196 SER H 1 . 196 SER HA . 26791 1 4 3JHNHA . 1 1 7 7 GLN HN H 1 1 . 1 1 7 7 GLN HA H 1 1 6.57315 . . 0.29143 . . . . 197 GLN H 1 . 197 GLN HA . 26791 1 5 3JHNHA . 1 1 9 9 TRP HN H 1 1 . 1 1 9 9 TRP HA H 1 1 7.06219 . . 0.18511 . . . . 199 TRP H 1 . 199 TRP HA . 26791 1 6 3JHNHA . 1 1 10 10 LYS HN H 1 1 . 1 1 10 10 LYS HA H 1 1 9.19828 . . 0.38021 . . . . 200 LYS H 1 . 200 LYS HA . 26791 1 7 3JHNHA . 1 1 11 11 TYR HN H 1 1 . 1 1 11 11 TYR HA H 1 1 6.63825 . . 0.3299 . . . . 201 TYR H 1 . 201 TYR HA . 26791 1 8 3JHNHA . 1 1 12 12 PHE HN H 1 1 . 1 1 12 12 PHE HA H 1 1 5.78061 . . 0.41441 . . . . 202 PHE H 1 . 202 PHE HA . 26791 1 9 3JHNHA . 1 1 13 13 LYS HN H 1 1 . 1 1 13 13 LYS HA H 1 1 5.23047 . . 0.59732 . . . . 203 LYS H 1 . 203 LYS HA . 26791 1 10 3JHNHA . 1 1 15 15 ASN HN H 1 1 . 1 1 15 15 ASN HA H 1 1 8.39696 . . 0.14472 . . . . 205 ASN H 1 . 205 ASN HA . 26791 1 11 3JHNHA . 1 1 17 17 TYR HN H 1 1 . 1 1 17 17 TYR HA H 1 1 8.36226 . . 0.65733 . . . . 207 TYR H 1 . 207 TYR HA . 26791 1 12 3JHNHA . 1 1 18 18 TYR HN H 1 1 . 1 1 18 18 TYR HA H 1 1 7.98124 . . 0.50967 . . . . 208 TYR H 1 . 208 TYR HA . 26791 1 13 3JHNHA . 1 1 19 19 PHE HN H 1 1 . 1 1 19 19 PHE HA H 1 1 8.88991 . . 0.49159 . . . . 209 PHE H 1 . 209 PHE HA . 26791 1 14 3JHNHA . 1 1 21 21 LEU HN H 1 1 . 1 1 21 21 LEU HA H 1 1 7.33411 . . 0.27378 . . . . 211 LEU H 1 . 211 LEU HA . 26791 1 15 3JHNHA . 1 1 22 22 ILE HN H 1 1 . 1 1 22 22 ILE HA H 1 1 8.94534 . . 0.22615 . . . . 212 ILE H 1 . 212 ILE HA . 26791 1 16 3JHNHA . 1 1 24 24 LYS HN H 1 1 . 1 1 24 24 LYS HA H 1 1 7.68695 . . 0.34576 . . . . 214 LYS H 1 . 214 LYS HA . 26791 1 17 3JHNHA . 1 1 25 25 THR HN H 1 1 . 1 1 25 25 THR HA H 1 1 5.92257 . . 0.53065 . . . . 215 THR H 1 . 215 THR HA . 26791 1 18 3JHNHA . 1 1 28 28 SER HN H 1 1 . 1 1 28 28 SER HA H 1 1 6.37136 . . 0.47018 . . . . 218 SER H 1 . 218 SER HA . 26791 1 19 3JHNHA . 1 1 29 29 ALA HN H 1 1 . 1 1 29 29 ALA HA H 1 1 4.10833 . . 0.41432 . . . . 219 ALA H 1 . 219 ALA HA . 26791 1 20 3JHNHA . 1 1 31 31 GLN HN H 1 1 . 1 1 31 31 GLN HA H 1 1 8.26473 . . 0.08825 . . . . 221 GLN H 1 . 221 GLN HA . 26791 1 21 3JHNHA . 1 1 32 32 PHE HN H 1 1 . 1 1 32 32 PHE HA H 1 1 6.73319 . . 0.08864 . . . . 222 PHE H 1 . 222 PHE HA . 26791 1 22 3JHNHA . 1 1 33 33 CYS HN H 1 1 . 1 1 33 33 CYS HA H 1 1 3.02334 . . 0.54388 . . . . 223 CYS H 1 . 223 CYS HA . 26791 1 23 3JHNHA . 1 1 34 34 VAL HN H 1 1 . 1 1 34 34 VAL HA H 1 1 4.24201 . . 0.46052 . . . . 224 VAL H 1 . 224 VAL HA . 26791 1 24 3JHNHA . 1 1 35 35 SER HN H 1 1 . 1 1 35 35 SER HA H 1 1 4.39043 . . 0.46052 . . . . 225 SER H 1 . 225 SER HA . 26791 1 25 3JHNHA . 1 1 37 37 ASN HN H 1 1 . 1 1 37 37 ASN HA H 1 1 6.9433 . . 0.21282 . . . . 227 ASN H 1 . 227 ASN HA . 26791 1 26 3JHNHA . 1 1 38 38 SER HN H 1 1 . 1 1 38 38 SER HA H 1 1 8.49373 . . 0.17578 . . . . 228 SER H 1 . 228 SER HA . 26791 1 27 3JHNHA . 1 1 39 39 HIS HN H 1 1 . 1 1 39 39 HIS HA H 1 1 3.83144 . . 0.22644 . . . . 229 HIS H 1 . 229 HIS HA . 26791 1 28 3JHNHA . 1 1 44 44 THR HN H 1 1 . 1 1 44 44 THR HA H 1 1 9.72897 . . 0.47097 . . . . 234 THR H 1 . 234 THR HA . 26791 1 29 3JHNHA . 1 1 45 45 SER HN H 1 1 . 1 1 45 45 SER HA H 1 1 5.92944 . . 0.21044 . . . . 235 SER H 1 . 235 SER HA . 26791 1 30 3JHNHA . 1 1 46 46 GLU HN H 1 1 . 1 1 46 46 GLU HA H 1 1 7.31381 . . 0.93953 . . . . 236 GLU H 1 . 236 GLU HA . 26791 1 31 3JHNHA . 1 1 48 48 GLU HN H 1 1 . 1 1 48 48 GLU HA H 1 1 6.40003 . . 0.41666 . . . . 238 GLU H 1 . 238 GLU HA . 26791 1 32 3JHNHA . 1 1 49 49 GLN HN H 1 1 . 1 1 49 49 GLN HA H 1 1 4.86472 . . 0.62257 . . . . 239 GLN H 1 . 239 GLN HA . 26791 1 33 3JHNHA . 1 1 51 51 PHE HN H 1 1 . 1 1 51 51 PHE HA H 1 1 3.08341 . . 0.51477 . . . . 241 PHE H 1 . 241 PHE HA . 26791 1 34 3JHNHA . 1 1 53 53 TYR HN H 1 1 . 1 1 53 53 TYR HA H 1 1 4.62275 . . 0.3151 . . . . 243 TYR H 1 . 243 TYR HA . 26791 1 35 3JHNHA . 1 1 54 54 LYS HN H 1 1 . 1 1 54 54 LYS HA H 1 1 4.16947 . . 0.34973 . . . . 244 LYS H 1 . 244 LYS HA . 26791 1 36 3JHNHA . 1 1 55 55 THR HN H 1 1 . 1 1 55 55 THR HA H 1 1 5.64563 . . 0.33179 . . . . 245 THR H 1 . 245 THR HA . 26791 1 37 3JHNHA . 1 1 56 56 ALA HN H 1 1 . 1 1 56 56 ALA HA H 1 1 3.25071 . . 0.4703 . . . . 246 ALA H 1 . 246 ALA HA . 26791 1 38 3JHNHA . 1 1 59 59 LEU HN H 1 1 . 1 1 59 59 LEU HA H 1 1 8.12717 . . 0.13462 . . . . 249 LEU H 1 . 249 LEU HA . 26791 1 39 3JHNHA . 1 1 60 60 ILE HN H 1 1 . 1 1 60 60 ILE HA H 1 1 7.27822 . . 0.63753 . . . . 250 ILE H 1 . 250 ILE HA . 26791 1 40 3JHNHA . 1 1 61 61 TYR HN H 1 1 . 1 1 61 61 TYR HA H 1 1 8.3813 . . 0.49412 . . . . 251 TYR H 1 . 251 TYR HA . 26791 1 41 3JHNHA . 1 1 63 63 ILE HN H 1 1 . 1 1 63 63 ILE HA H 1 1 8.71121 . . 1.00412 . . . . 253 ILE H 1 . 253 ILE HA . 26791 1 42 3JHNHA . 1 1 68 68 ALA HN H 1 1 . 1 1 68 68 ALA HA H 1 1 8.08735 . . 0.22686 . . . . 258 ALA H 1 . 258 ALA HA . 26791 1 43 3JHNHA . 1 1 70 70 MET HN H 1 1 . 1 1 70 70 MET HA H 1 1 5.30006 . . 0.20835 . . . . 260 MET H 1 . 260 MET HA . 26791 1 44 3JHNHA . 1 1 71 71 GLU HN H 1 1 . 1 1 71 71 GLU HA H 1 1 7.86107 . . 0.09254 . . . . 261 GLU H 1 . 261 GLU HA . 26791 1 45 3JHNHA . 1 1 74 74 TRP HN H 1 1 . 1 1 74 74 TRP HA H 1 1 4.99733 . . 0.77138 . . . . 264 TRP H 1 . 264 TRP HA . 26791 1 46 3JHNHA . 1 1 75 75 SER HN H 1 1 . 1 1 75 75 SER HA H 1 1 9.14065 . . 0.94799 . . . . 265 SER H 1 . 265 SER HA . 26791 1 47 3JHNHA . 1 1 78 78 ASP HN H 1 1 . 1 1 78 78 ASP HA H 1 1 6.81416 . . 0.29822 . . . . 268 ASP H 1 . 268 ASP HA . 26791 1 48 3JHNHA . 1 1 79 79 ASP HN H 1 1 . 1 1 79 79 ASP HA H 1 1 6.11922 . . 0.22575 . . . . 269 ASP H 1 . 269 ASP HA . 26791 1 49 3JHNHA . 1 1 82 82 PHE HN H 1 1 . 1 1 82 82 PHE HA H 1 1 6.1184 . . 0.32612 . . . . 272 PHE H 1 . 272 PHE HA . 26791 1 50 3JHNHA . 1 1 83 83 ASN HN H 1 1 . 1 1 83 83 ASN HA H 1 1 8.54146 . . 0.26848 . . . . 273 ASN H 1 . 273 ASN HA . 26791 1 51 3JHNHA . 1 1 85 85 VAL HN H 1 1 . 1 1 85 85 VAL HA H 1 1 5.82387 . . 0.13841 . . . . 275 VAL H 1 . 275 VAL HA . 26791 1 52 3JHNHA . 1 1 86 86 GLN HN H 1 1 . 1 1 86 86 GLN HA H 1 1 5.30343 . . 0.21004 . . . . 276 GLN H 1 . 276 GLN HA . 26791 1 53 3JHNHA . 1 1 87 87 SER HN H 1 1 . 1 1 87 87 SER HA H 1 1 4.86534 . . 0.23383 . . . . 277 SER H 1 . 277 SER HA . 26791 1 54 3JHNHA . 1 1 88 88 ALA HN H 1 1 . 1 1 88 88 ALA HA H 1 1 2.43744 . . 0.30354 . . . . 278 ALA H 1 . 278 ALA HA . 26791 1 55 3JHNHA . 1 1 89 89 ARG HN H 1 1 . 1 1 89 89 ARG HA H 1 1 5.54585 . . 0.12442 . . . . 279 ARG H 1 . 279 ARG HA . 26791 1 56 3JHNHA . 1 1 90 90 PHE HN H 1 1 . 1 1 90 90 PHE HA H 1 1 7.44685 . . 0.21731 . . . . 280 PHE H 1 . 280 PHE HA . 26791 1 57 3JHNHA . 1 1 91 91 TRP HN H 1 1 . 1 1 91 91 TRP HA H 1 1 5.16213 . . 0.29589 . . . . 281 TRP H 1 . 281 TRP HA . 26791 1 58 3JHNHA . 1 1 95 95 GLU HN H 1 1 . 1 1 95 95 GLU HA H 1 1 7.48378 . . 0.48906 . . . . 285 GLU H 1 . 285 GLU HA . 26791 1 59 3JHNHA . 1 1 109 109 LYS HN H 1 1 . 1 1 109 109 LYS HA H 1 1 11.3271 . . 0.93918 . . . . 299 LYS H 1 . 299 LYS HA . 26791 1 60 3JHNHA . 1 1 110 110 ALA HN H 1 1 . 1 1 110 110 ALA HA H 1 1 7.18015 . . 0.26328 . . . . 300 ALA H 1 . 300 ALA HA . 26791 1 61 3JHNHA . 1 1 112 112 SER HN H 1 1 . 1 1 112 112 SER HA H 1 1 5.72947 . . 0.13486 . . . . 302 SER H 1 . 302 SER HA . 26791 1 62 3JHNHA . 1 1 113 113 LEU HN H 1 1 . 1 1 113 113 LEU HA H 1 1 4.38248 . . 0.24237 . . . . 303 LEU H 1 . 303 LEU HA . 26791 1 63 3JHNHA . 1 1 114 114 GLN HN H 1 1 . 1 1 114 114 GLN HA H 1 1 8.26112 . . 0.19757 . . . . 304 GLN H 1 . 304 GLN HA . 26791 1 64 3JHNHA . 1 1 115 115 ALA HN H 1 1 . 1 1 115 115 ALA HA H 1 1 8.44487 . . 0.43861 . . . . 305 ALA H 1 . 305 ALA HA . 26791 1 65 3JHNHA . 1 1 116 116 TRP HN H 1 1 . 1 1 116 116 TRP HA H 1 1 5.58271 . . 0.45342 . . . . 306 TRP H 1 . 306 TRP HA . 26791 1 66 3JHNHA . 1 1 122 122 ASP HN H 1 1 . 1 1 122 122 ASP HA H 1 1 7.19172 . . 0.81825 . . . . 312 ASP H 1 . 312 ASP HA . 26791 1 67 3JHNHA . 1 1 123 123 LYS HN H 1 1 . 1 1 123 123 LYS HA H 1 1 5.68579 . . 0.42552 . . . . 313 LYS H 1 . 313 LYS HA . 26791 1 68 3JHNHA . 1 1 124 124 THR HN H 1 1 . 1 1 124 124 THR HA H 1 1 8.72306 . . 0.17968 . . . . 314 THR H 1 . 314 THR HA . 26791 1 69 3JHNHA . 1 1 127 127 PHE HN H 1 1 . 1 1 127 127 PHE HA H 1 1 5.0446 . . 0.46384 . . . . 317 PHE H 1 . 317 PHE HA . 26791 1 70 3JHNHA . 1 1 128 128 ILE HN H 1 1 . 1 1 128 128 ILE HA H 1 1 8.68932 . . 0.38816 . . . . 318 ILE H 1 . 318 ILE HA . 26791 1 71 3JHNHA . 1 1 129 129 CYS HN H 1 1 . 1 1 129 129 CYS HA H 1 1 9.77097 . . 0.62375 . . . . 319 CYS H 1 . 319 CYS HA . 26791 1 72 3JHNHA . 1 1 130 130 LYS HN H 1 1 . 1 1 130 130 LYS HA H 1 1 7.91304 . . 0.37705 . . . . 320 LYS H 1 . 320 LYS HA . 26791 1 73 3JHNHA . 1 1 131 131 ARG HN H 1 1 . 1 1 131 131 ARG HA H 1 1 6.75588 . . 0.49007 . . . . 321 ARG H 1 . 321 ARG HA . 26791 1 74 3JHNHA . 1 1 133 133 TYR HN H 1 1 . 1 1 133 133 TYR HA H 1 1 6.73171 . . 0.42735 . . . . 323 TYR H 1 . 323 TYR HA . 26791 1 75 3JHNHA . 1 1 134 134 VAL HN H 1 1 . 1 1 134 134 VAL HA H 1 1 9.02302 . . 0.21275 . . . . 324 VAL H 1 . 324 VAL HA . 26791 1 76 3JHNHA . 1 1 136 136 SER HN H 1 1 . 1 1 136 136 SER HA H 1 1 7.9975 . . 0.11502 . . . . 326 SER H 1 . 326 SER HA . 26791 1 stop_ save_ save_apo_LangCRD_3Jc _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode apo_LangCRD_3Jc _Coupling_constant_list.Entry_ID 26791 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 3 _Coupling_constant_list.Sample_condition_list_label $apo_conditions _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 11 '3D HNHA' . . . 26791 2 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 2 $CcpNmr_Analysis . . 26791 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 VAL HN H 1 1 . 1 1 4 4 VAL HA H 1 1 7.90388 . . 0.02676 . . . . 194 VAL H 1 . 194 VAL HA . 26791 2 2 3JHNHA . 1 1 5 5 VAL HN H 1 1 . 1 1 5 5 VAL HA H 1 1 8.23063 . . 0.02222 . . . . 195 VAL H 1 . 195 VAL HA . 26791 2 3 3JHNHA . 1 1 6 6 SER HN H 1 1 . 1 1 6 6 SER HA H 1 1 7.29055 . . 0.09235 . . . . 196 SER H 1 . 196 SER HA . 26791 2 4 3JHNHA . 1 1 7 7 GLN HN H 1 1 . 1 1 7 7 GLN HA H 1 1 6.93752 . . 0.253 . . . . 197 GLN H 1 . 197 GLN HA . 26791 2 5 3JHNHA . 1 1 9 9 TRP HN H 1 1 . 1 1 9 9 TRP HA H 1 1 7.79365 . . 0.1166 . . . . 199 TRP H 1 . 199 TRP HA . 26791 2 6 3JHNHA . 1 1 10 10 LYS HN H 1 1 . 1 1 10 10 LYS HA H 1 1 8.63742 . . 0.21342 . . . . 200 LYS H 1 . 200 LYS HA . 26791 2 7 3JHNHA . 1 1 11 11 TYR HN H 1 1 . 1 1 11 11 TYR HA H 1 1 6.57494 . . 0.24279 . . . . 201 TYR H 1 . 201 TYR HA . 26791 2 8 3JHNHA . 1 1 12 12 PHE HN H 1 1 . 1 1 12 12 PHE HA H 1 1 6.52574 . . 0.25695 . . . . 202 PHE H 1 . 202 PHE HA . 26791 2 9 3JHNHA . 1 1 13 13 LYS HN H 1 1 . 1 1 13 13 LYS HA H 1 1 5.76117 . . 0.27467 . . . . 203 LYS H 1 . 203 LYS HA . 26791 2 10 3JHNHA . 1 1 16 16 PHE HN H 1 1 . 1 1 16 16 PHE HA H 1 1 8.97187 . . 0.33845 . . . . 206 PHE H 1 . 206 PHE HA . 26791 2 11 3JHNHA . 1 1 17 17 TYR HN H 1 1 . 1 1 17 17 TYR HA H 1 1 9.91681 . . 0.36821 . . . . 207 TYR H 1 . 207 TYR HA . 26791 2 12 3JHNHA . 1 1 18 18 TYR HN H 1 1 . 1 1 18 18 TYR HA H 1 1 9.80059 . . 0.38608 . . . . 208 TYR H 1 . 208 TYR HA . 26791 2 13 3JHNHA . 1 1 22 22 ILE HN H 1 1 . 1 1 22 22 ILE HA H 1 1 9.42816 . . 0.15171 . . . . 212 ILE H 1 . 212 ILE HA . 26791 2 14 3JHNHA . 1 1 24 24 LYS HN H 1 1 . 1 1 24 24 LYS HA H 1 1 8.34561 . . 0.18713 . . . . 214 LYS H 1 . 214 LYS HA . 26791 2 15 3JHNHA . 1 1 25 25 THR HN H 1 1 . 1 1 25 25 THR HA H 1 1 5.97763 . . 0.24345 . . . . 215 THR H 1 . 215 THR HA . 26791 2 16 3JHNHA . 1 1 28 28 SER HN H 1 1 . 1 1 28 28 SER HA H 1 1 6.78882 . . 0.22925 . . . . 218 SER H 1 . 218 SER HA . 26791 2 17 3JHNHA . 1 1 31 31 GLN HN H 1 1 . 1 1 31 31 GLN HA H 1 1 4.19104 . . 0.21197 . . . . 221 GLN H 1 . 221 GLN HA . 26791 2 18 3JHNHA . 1 1 33 33 CYS HN H 1 1 . 1 1 33 33 CYS HA H 1 1 3.48173 . . 0.35473 . . . . 223 CYS H 1 . 223 CYS HA . 26791 2 19 3JHNHA . 1 1 34 34 VAL HN H 1 1 . 1 1 34 34 VAL HA H 1 1 3.6941 . . 0.34301 . . . . 224 VAL H 1 . 224 VAL HA . 26791 2 20 3JHNHA . 1 1 35 35 SER HN H 1 1 . 1 1 35 35 SER HA H 1 1 4.41361 . . 0.23374 . . . . 225 SER H 1 . 225 SER HA . 26791 2 21 3JHNHA . 1 1 36 36 ARG HN H 1 1 . 1 1 36 36 ARG HA H 1 1 10.10592 . . 0.14049 . . . . 226 ARG H 1 . 226 ARG HA . 26791 2 22 3JHNHA . 1 1 37 37 ASN HN H 1 1 . 1 1 37 37 ASN HA H 1 1 7.45819 . . 0.11661 . . . . 227 ASN H 1 . 227 ASN HA . 26791 2 23 3JHNHA . 1 1 38 38 SER HN H 1 1 . 1 1 38 38 SER HA H 1 1 8.72737 . . 0.12169 . . . . 228 SER H 1 . 228 SER HA . 26791 2 24 3JHNHA . 1 1 39 39 HIS HN H 1 1 . 1 1 39 39 HIS HA H 1 1 5.73265 . . 0.17415 . . . . 229 HIS H 1 . 229 HIS HA . 26791 2 25 3JHNHA . 1 1 40 40 LEU HN H 1 1 . 1 1 40 40 LEU HA H 1 1 4.51899 . . 0.54457 . . . . 230 LEU H 1 . 230 LEU HA . 26791 2 26 3JHNHA . 1 1 44 44 THR HN H 1 1 . 1 1 44 44 THR HA H 1 1 9.85293 . . 0.25102 . . . . 234 THR H 1 . 234 THR HA . 26791 2 27 3JHNHA . 1 1 45 45 SER HN H 1 1 . 1 1 45 45 SER HA H 1 1 6.37674 . . 0.13268 . . . . 235 SER H 1 . 235 SER HA . 26791 2 28 3JHNHA . 1 1 48 48 GLU HN H 1 1 . 1 1 48 48 GLU HA H 1 1 5.24523 . . 0.31292 . . . . 238 GLU H 1 . 238 GLU HA . 26791 2 29 3JHNHA . 1 1 50 50 GLU HN H 1 1 . 1 1 50 50 GLU HA H 1 1 3.86221 . . 0.30869 . . . . 240 GLU H 1 . 240 GLU HA . 26791 2 30 3JHNHA . 1 1 51 51 PHE HN H 1 1 . 1 1 51 51 PHE HA H 1 1 3.7154 . . 0.33105 . . . . 241 PHE H 1 . 241 PHE HA . 26791 2 31 3JHNHA . 1 1 53 53 TYR HN H 1 1 . 1 1 53 53 TYR HA H 1 1 5.63664 . . 0.19679 . . . . 243 TYR H 1 . 243 TYR HA . 26791 2 32 3JHNHA . 1 1 54 54 LYS HN H 1 1 . 1 1 54 54 LYS HA H 1 1 4.49384 . . 0.22555 . . . . 244 LYS H 1 . 244 LYS HA . 26791 2 33 3JHNHA . 1 1 55 55 THR HN H 1 1 . 1 1 55 55 THR HA H 1 1 8.94689 . . 0.11399 . . . . 245 THR H 1 . 245 THR HA . 26791 2 34 3JHNHA . 1 1 56 56 ALA HN H 1 1 . 1 1 56 56 ALA HA H 1 1 3.25194 . . 0.29673 . . . . 246 ALA H 1 . 246 ALA HA . 26791 2 35 3JHNHA . 1 1 59 59 LEU HN H 1 1 . 1 1 59 59 LEU HA H 1 1 8.36016 . . 0.10959 . . . . 249 LEU H 1 . 249 LEU HA . 26791 2 36 3JHNHA . 1 1 60 60 ILE HN H 1 1 . 1 1 60 60 ILE HA H 1 1 6.67967 . . 0.21479 . . . . 250 ILE H 1 . 250 ILE HA . 26791 2 37 3JHNHA . 1 1 61 61 TYR HN H 1 1 . 1 1 61 61 TYR HA H 1 1 9.58683 . . 0.30889 . . . . 251 TYR H 1 . 251 TYR HA . 26791 2 38 3JHNHA . 1 1 63 63 ILE HN H 1 1 . 1 1 63 63 ILE HA H 1 1 9.39011 . . 0.57911 . . . . 253 ILE H 1 . 253 ILE HA . 26791 2 39 3JHNHA . 1 1 65 65 LEU HN H 1 1 . 1 1 65 65 LEU HA H 1 1 8.49739 . . 0.24403 . . . . 255 LEU H 1 . 255 LEU HA . 26791 2 40 3JHNHA . 1 1 66 66 THR HN H 1 1 . 1 1 66 66 THR HA H 1 1 8.41011 . . 0.28126 . . . . 256 THR H 1 . 256 THR HA . 26791 2 41 3JHNHA . 1 1 67 67 LYS HN H 1 1 . 1 1 67 67 LYS HA H 1 1 8.27115 . . 0.28544 . . . . 257 LYS H 1 . 257 LYS HA . 26791 2 42 3JHNHA . 1 1 68 68 ALA HN H 1 1 . 1 1 68 68 ALA HA H 1 1 7.38873 . . 0.22688 . . . . 258 ALA H 1 . 258 ALA HA . 26791 2 43 3JHNHA . 1 1 70 70 MET HN H 1 1 . 1 1 70 70 MET HA H 1 1 5.44743 . . 0.12322 . . . . 260 MET H 1 . 260 MET HA . 26791 2 44 3JHNHA . 1 1 71 71 GLU HN H 1 1 . 1 1 71 71 GLU HA H 1 1 8.09438 . . 0.05503 . . . . 261 GLU H 1 . 261 GLU HA . 26791 2 45 3JHNHA . 1 1 75 75 SER HN H 1 1 . 1 1 75 75 SER HA H 1 1 8.38196 . . 0.244 . . . . 265 SER H 1 . 265 SER HA . 26791 2 46 3JHNHA . 1 1 76 76 TRP HN H 1 1 . 1 1 76 76 TRP HA H 1 1 8.60823 . . 0.24537 . . . . 266 TRP H 1 . 266 TRP HA . 26791 2 47 3JHNHA . 1 1 78 78 ASP HN H 1 1 . 1 1 78 78 ASP HA H 1 1 7.87667 . . 0.04882 . . . . 268 ASP H 1 . 268 ASP HA . 26791 2 48 3JHNHA . 1 1 82 82 PHE HN H 1 1 . 1 1 82 82 PHE HA H 1 1 6.14071 . . 0.1748 . . . . 272 PHE H 1 . 272 PHE HA . 26791 2 49 3JHNHA . 1 1 83 83 ASN HN H 1 1 . 1 1 83 83 ASN HA H 1 1 8.50922 . . 0.2228 . . . . 273 ASN H 1 . 273 ASN HA . 26791 2 50 3JHNHA . 1 1 85 85 VAL HN H 1 1 . 1 1 85 85 VAL HA H 1 1 6.34323 . . 0.09795 . . . . 275 VAL H 1 . 275 VAL HA . 26791 2 51 3JHNHA . 1 1 86 86 GLN HN H 1 1 . 1 1 86 86 GLN HA H 1 1 5.33279 . . 0.16964 . . . . 276 GLN H 1 . 276 GLN HA . 26791 2 52 3JHNHA . 1 1 87 87 SER HN H 1 1 . 1 1 87 87 SER HA H 1 1 4.64093 . . 0.22327 . . . . 277 SER H 1 . 277 SER HA . 26791 2 53 3JHNHA . 1 1 88 88 ALA HN H 1 1 . 1 1 88 88 ALA HA H 1 1 2.74232 . . 0.25263 . . . . 278 ALA H 1 . 278 ALA HA . 26791 2 54 3JHNHA . 1 1 89 89 ARG HN H 1 1 . 1 1 89 89 ARG HA H 1 1 6.35105 . . 0.14198 . . . . 279 ARG H 1 . 279 ARG HA . 26791 2 55 3JHNHA . 1 1 90 90 PHE HN H 1 1 . 1 1 90 90 PHE HA H 1 1 8.58465 . . 0.18338 . . . . 280 PHE H 1 . 280 PHE HA . 26791 2 56 3JHNHA . 1 1 91 91 TRP HN H 1 1 . 1 1 91 91 TRP HA H 1 1 5.36382 . . 0.25666 . . . . 281 TRP H 1 . 281 TRP HA . 26791 2 57 3JHNHA . 1 1 95 95 GLU HN H 1 1 . 1 1 95 95 GLU HA H 1 1 8.70137 . . 0.24092 . . . . 285 GLU H 1 . 285 GLU HA . 26791 2 58 3JHNHA . 1 1 101 101 ASN HN H 1 1 . 1 1 101 101 ASN HA H 1 1 6.24498 . . 0.25451 . . . . 291 ASN H 1 . 291 ASN HA . 26791 2 59 3JHNHA . 1 1 107 107 ASN HN H 1 1 . 1 1 107 107 ASN HA H 1 1 7.93429 . . 0.35661 . . . . 297 ASN H 1 . 297 ASN HA . 26791 2 60 3JHNHA . 1 1 109 109 LYS HN H 1 1 . 1 1 109 109 LYS HA H 1 1 8.88115 . . 0.37588 . . . . 299 LYS H 1 . 299 LYS HA . 26791 2 61 3JHNHA . 1 1 110 110 ALA HN H 1 1 . 1 1 110 110 ALA HA H 1 1 7.26442 . . 0.2011 . . . . 300 ALA H 1 . 300 ALA HA . 26791 2 62 3JHNHA . 1 1 113 113 LEU HN H 1 1 . 1 1 113 113 LEU HA H 1 1 4.04137 . . 0.20436 . . . . 303 LEU H 1 . 303 LEU HA . 26791 2 63 3JHNHA . 1 1 114 114 GLN HN H 1 1 . 1 1 114 114 GLN HA H 1 1 8.85307 . . 0.15134 . . . . 304 GLN H 1 . 304 GLN HA . 26791 2 64 3JHNHA . 1 1 115 115 ALA HN H 1 1 . 1 1 115 115 ALA HA H 1 1 8.852 . . 0.27442 . . . . 305 ALA H 1 . 305 ALA HA . 26791 2 65 3JHNHA . 1 1 123 123 LYS HN H 1 1 . 1 1 123 123 LYS HA H 1 1 6.27561 . . 0.16158 . . . . 313 LYS H 1 . 313 LYS HA . 26791 2 66 3JHNHA . 1 1 124 124 THR HN H 1 1 . 1 1 124 124 THR HA H 1 1 8.43177 . . 0.10597 . . . . 314 THR H 1 . 314 THR HA . 26791 2 67 3JHNHA . 1 1 125 125 PHE HN H 1 1 . 1 1 125 125 PHE HA H 1 1 6.24705 . . 0.20972 . . . . 315 PHE H 1 . 315 PHE HA . 26791 2 68 3JHNHA . 1 1 127 127 PHE HN H 1 1 . 1 1 127 127 PHE HA H 1 1 6.48874 . . 0.12798 . . . . 317 PHE H 1 . 317 PHE HA . 26791 2 69 3JHNHA . 1 1 128 128 ILE HN H 1 1 . 1 1 128 128 ILE HA H 1 1 10.1208 . . 0.28365 . . . . 318 ILE H 1 . 318 ILE HA . 26791 2 70 3JHNHA . 1 1 129 129 CYS HN H 1 1 . 1 1 129 129 CYS HA H 1 1 9.47039 . . 0.31267 . . . . 319 CYS H 1 . 319 CYS HA . 26791 2 71 3JHNHA . 1 1 130 130 LYS HN H 1 1 . 1 1 130 130 LYS HA H 1 1 9.24439 . . 0.25047 . . . . 320 LYS H 1 . 320 LYS HA . 26791 2 72 3JHNHA . 1 1 131 131 ARG HN H 1 1 . 1 1 131 131 ARG HA H 1 1 7.48661 . . 0.32536 . . . . 321 ARG H 1 . 321 ARG HA . 26791 2 73 3JHNHA . 1 1 133 133 TYR HN H 1 1 . 1 1 133 133 TYR HA H 1 1 5.92614 . . 0.34571 . . . . 323 TYR H 1 . 323 TYR HA . 26791 2 74 3JHNHA . 1 1 134 134 VAL HN H 1 1 . 1 1 134 134 VAL HA H 1 1 9.45389 . . 0.14024 . . . . 324 VAL H 1 . 324 VAL HA . 26791 2 75 3JHNHA . 1 1 136 136 SER HN H 1 1 . 1 1 136 136 SER HA H 1 1 8.16705 . . 0.07615 . . . . 326 SER H 1 . 326 SER HA . 26791 2 76 3JHNHA . 1 1 137 137 GLU HN H 1 1 . 1 1 137 137 GLU HA H 1 1 6.99251 . . 0.05597 . . . . 327 GLU H 1 . 327 GLU HA . 26791 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_apo_LangCRD_hNOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode apo_LangCRD_hNOE_600 _Heteronucl_NOE_list.Entry_ID 26791 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $apo_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 230000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 20 '2D 1H-15N HSQC hNOE' . . . 26791 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 26791 1 4 $NMRPipe . . 26791 1 5 $relax . . 26791 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.517027197 0.013736954 . . . 198 GLY . . 198 GLY . 26791 1 2 . 1 1 9 9 TRP N N 15 . 1 1 9 9 TRP H H 1 0.626791828 0.008135324 . . . 199 TRP . . 199 TRP . 26791 1 3 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.749867741 0.012285195 . . . 200 LYS . . 200 LYS . 26791 1 4 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.747242698 0.013798113 . . . 201 TYR . . 201 TYR . 26791 1 5 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.841418909 0.010882442 . . . 202 PHE . . 202 PHE . 26791 1 6 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.817405237 0.011478355 . . . 203 LYS . . 203 LYS . 26791 1 7 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.802957328 0.014374204 . . . 204 GLY . . 204 GLY . 26791 1 8 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.844349899 0.015747683 . . . 206 PHE . . 206 PHE . 26791 1 9 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.802205619 0.014876335 . . . 207 TYR . . 207 TYR . 26791 1 10 . 1 1 18 18 TYR N N 15 . 1 1 18 18 TYR H H 1 0.830966552 0.014229802 . . . 208 TYR . . 208 TYR . 26791 1 11 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.809106803 0.012154806 . . . 210 SER . . 210 SER . 26791 1 12 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.761034044 0.012242708 . . . 212 ILE . . 212 ILE . 26791 1 13 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.79982563 0.011148273 . . . 214 LYS . . 214 LYS . 26791 1 14 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.811262956 0.010848191 . . . 215 THR . . 215 THR . 26791 1 15 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.842316802 0.017234392 . . . 217 TYR . . 217 TYR . 26791 1 16 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.8090204 0.011903302 . . . 218 SER . . 218 SER . 26791 1 17 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.818931032 0.010301886 . . . 219 ALA . . 219 ALA . 26791 1 18 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.803325118 0.009556868 . . . 221 GLN . . 221 GLN . 26791 1 19 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.816152354 0.010055259 . . . 223 CYS . . 223 CYS . 26791 1 20 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.839948947 0.010728255 . . . 224 VAL . . 224 VAL . 26791 1 21 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.82727111 0.010291859 . . . 225 SER . . 225 SER . 26791 1 22 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.795531567 0.010442598 . . . 226 ARG . . 226 ARG . 26791 1 23 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.796215677 0.009706449 . . . 227 ASN . . 227 ASN . 26791 1 24 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.827153399 0.009796235 . . . 228 SER . . 228 SER . 26791 1 25 . 1 1 39 39 HIS N N 15 . 1 1 39 39 HIS H H 1 0.773703247 0.010437469 . . . 229 HIS . . 229 HIS . 26791 1 26 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.836805569 0.013542112 . . . 230 LEU . . 230 LEU . 26791 1 27 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.807290989 0.017658087 . . . 232 SER . . 232 SER . 26791 1 28 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.797399992 0.013283883 . . . 234 THR . . 234 THR . 26791 1 29 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.811263042 0.008674614 . . . 235 SER . . 235 SER . 26791 1 30 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.77627386 0.020626846 . . . 236 GLU . . 236 GLU . 26791 1 31 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.838315275 0.011733346 . . . 238 GLU . . 238 GLU . 26791 1 32 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.816950939 0.010637197 . . . 240 GLU . . 240 GLU . 26791 1 33 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.80873848 0.010251554 . . . 241 PHE . . 241 PHE . 26791 1 34 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.824383368 0.009471437 . . . 243 TYR . . 243 TYR . 26791 1 35 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.817300974 0.011665058 . . . 244 LYS . . 244 LYS . 26791 1 36 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.79422018 0.012086244 . . . 246 ALA . . 246 ALA . 26791 1 37 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.792434083 0.01412414 . . . 247 GLY . . 247 GLY . 26791 1 38 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.762281495 0.011619559 . . . 248 GLY . . 248 GLY . 26791 1 39 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.821719632 0.010782761 . . . 249 LEU . . 249 LEU . 26791 1 40 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.779255774 0.011421002 . . . 250 ILE . . 250 ILE . 26791 1 41 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.798456857 0.013573094 . . . 251 TYR . . 251 TYR . 26791 1 42 . 1 1 62 62 TRP N N 15 . 1 1 62 62 TRP H H 1 0.821911211 0.017663709 . . . 252 TRP . . 252 TRP . 26791 1 43 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.821584031 0.018745399 . . . 253 ILE . . 253 ILE . 26791 1 44 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.833810265 0.020689938 . . . 254 GLY . . 254 GLY . 26791 1 45 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.81531479 0.013463907 . . . 255 LEU . . 255 LEU . 26791 1 46 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.803259658 0.015353833 . . . 256 THR . . 256 THR . 26791 1 47 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.751183975 0.015264329 . . . 257 LYS . . 257 LYS . 26791 1 48 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.090623272 0.006934668 . . . 259 GLY . . 259 GLY . 26791 1 49 . 1 1 70 70 MET N N 15 . 1 1 70 70 MET H H 1 0.484378292 0.008340415 . . . 260 MET . . 260 MET . 26791 1 50 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.424774973 0.006064962 . . . 261 GLU . . 261 GLU . 26791 1 51 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.389717983 0.006702036 . . . 262 GLY . . 262 GLY . 26791 1 52 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.540639073 0.029664403 . . . 264 TRP . . 264 TRP . 26791 1 53 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 0.787041052 0.014507724 . . . 266 TRP . . 266 TRP . 26791 1 54 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.792884111 0.013740056 . . . 267 VAL . . 267 VAL . 26791 1 55 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.55031477 0.005491828 . . . 268 ASP . . 268 ASP . 26791 1 56 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.792777855 0.010147721 . . . 270 THR . . 270 THR . 26791 1 57 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.799162882 0.010317114 . . . 272 PHE . . 272 PHE . 26791 1 58 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.724976622 0.013641671 . . . 273 ASN . . 273 ASN . 26791 1 59 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.704313463 0.018394843 . . . 274 LYS . . 274 LYS . 26791 1 60 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.663840346 0.00855737 . . . 275 VAL . . 275 VAL . 26791 1 61 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.728445772 0.009741084 . . . 276 GLN . . 276 GLN . 26791 1 62 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.687981468 0.011137256 . . . 277 SER . . 277 SER . 26791 1 63 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.751738591 0.010688795 . . . 278 ALA . . 278 ALA . 26791 1 64 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.65578604 0.011822912 . . . 279 ARG . . 279 ARG . 26791 1 65 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.756656486 0.013494791 . . . 280 PHE . . 280 PHE . 26791 1 66 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 0.819216698 0.012118184 . . . 281 TRP . . 281 TRP . 26791 1 67 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 0.836630132 0.022854443 . . . 282 ILE . . 282 ILE . 26791 1 68 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.835030282 0.014025667 . . . 285 GLU . . 285 GLU . 26791 1 69 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.463737861 0.008092893 . . . 290 GLY . . 290 GLY . 26791 1 70 . 1 1 101 101 ASN N N 15 . 1 1 101 101 ASN H H 1 0.549267424 0.010025404 . . . 291 ASN . . 291 ASN . 26791 1 71 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.21072949 0.020996373 . . . 292 ASN . . 292 ASN . 26791 1 72 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.814742709 0.016441158 . . . 297 ASN . . 297 ASN . 26791 1 73 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.799299583 0.018419099 . . . 299 LYS . . 299 LYS . 26791 1 74 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.659965147 0.011823138 . . . 300 ALA . . 300 ALA . 26791 1 75 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.805068876 0.010509926 . . . 303 LEU . . 303 LEU . 26791 1 76 . 1 1 114 114 GLN N N 15 . 1 1 114 114 GLN H H 1 0.764610666 0.012724957 . . . 304 GLN . . 304 GLN . 26791 1 77 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.728882969 0.013617388 . . . 305 ALA . . 305 ALA . 26791 1 78 . 1 1 116 116 TRP N N 15 . 1 1 116 116 TRP H H 1 0.831309952 0.01382537 . . . 306 TRP . . 306 TRP . 26791 1 79 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.778809056 0.009426374 . . . 314 THR . . 314 THR . 26791 1 80 . 1 1 125 125 PHE N N 15 . 1 1 125 125 PHE H H 1 0.808859306 0.011783041 . . . 315 PHE . . 315 PHE . 26791 1 81 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.781638625 0.013761469 . . . 316 LEU . . 316 LEU . 26791 1 82 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.890235234 0.017707389 . . . 318 ILE . . 318 ILE . 26791 1 83 . 1 1 129 129 CYS N N 15 . 1 1 129 129 CYS H H 1 0.794844547 0.012224539 . . . 319 CYS . . 319 CYS . 26791 1 84 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.840965989 0.012137877 . . . 320 LYS . . 320 LYS . 26791 1 85 . 1 1 131 131 ARG N N 15 . 1 1 131 131 ARG H H 1 0.790078233 0.012185657 . . . 321 ARG . . 321 ARG . 26791 1 86 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.756188712 0.015060692 . . . 323 TYR . . 323 TYR . 26791 1 87 . 1 1 134 134 VAL N N 15 . 1 1 134 134 VAL H H 1 0.541983477 0.012187274 . . . 324 VAL . . 324 VAL . 26791 1 stop_ save_ save_apo_LangCRD_hNOE_750 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode apo_LangCRD_hNOE_750 _Heteronucl_NOE_list.Entry_ID 26791 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $apo_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 230000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 20 '2D 1H-15N HSQC hNOE' . . . 26791 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 26791 2 4 $NMRPipe . . 26791 2 5 $relax . . 26791 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.608265917 0.014423414 . . . 198 GLY . . 198 GLY . 26791 2 2 . 1 1 9 9 TRP N N 15 . 1 1 9 9 TRP H H 1 0.735588311 0.012509374 . . . 199 TRP . . 199 TRP . 26791 2 3 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.79890254 0.017564724 . . . 200 LYS . . 200 LYS . 26791 2 4 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.774351137 0.014662729 . . . 201 TYR . . 201 TYR . 26791 2 5 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.839559865 0.014491357 . . . 202 PHE . . 202 PHE . 26791 2 6 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.850814285 0.016788865 . . . 203 LYS . . 203 LYS . 26791 2 7 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.822131944 0.018373623 . . . 204 GLY . . 204 GLY . 26791 2 8 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.844397504 0.016805503 . . . 206 PHE . . 206 PHE . 26791 2 9 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.84614207 0.020396344 . . . 207 TYR . . 207 TYR . 26791 2 10 . 1 1 18 18 TYR N N 15 . 1 1 18 18 TYR H H 1 0.845572906 0.019838337 . . . 208 TYR . . 208 TYR . 26791 2 11 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.857854088 0.015859946 . . . 210 SER . . 210 SER . 26791 2 12 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.779344055 0.016270355 . . . 212 ILE . . 212 ILE . 26791 2 13 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.796681317 0.014355047 . . . 214 LYS . . 214 LYS . 26791 2 14 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.836374844 0.015282936 . . . 215 THR . . 215 THR . 26791 2 15 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.845762472 0.025595556 . . . 217 TYR . . 217 TYR . 26791 2 16 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.820537722 0.016576102 . . . 218 SER . . 218 SER . 26791 2 17 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.83184411 0.014209303 . . . 219 ALA . . 219 ALA . 26791 2 18 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.855072762 0.012566154 . . . 221 GLN . . 221 GLN . 26791 2 19 . 1 1 32 32 PHE N N 15 . 1 1 32 32 PHE H H 1 0.89988708 0.014198359 . . . 222 PHE . . 222 PHE . 26791 2 20 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.84148155 0.013976003 . . . 223 CYS . . 223 CYS . 26791 2 21 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.857565069 0.014798212 . . . 224 VAL . . 224 VAL . 26791 2 22 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.881685751 0.014946501 . . . 225 SER . . 225 SER . 26791 2 23 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.837842518 0.014030981 . . . 226 ARG . . 226 ARG . 26791 2 24 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.848505128 0.013632372 . . . 227 ASN . . 227 ASN . 26791 2 25 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.839850828 0.011909108 . . . 228 SER . . 228 SER . 26791 2 26 . 1 1 39 39 HIS N N 15 . 1 1 39 39 HIS H H 1 0.811485526 0.013356427 . . . 229 HIS . . 229 HIS . 26791 2 27 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.850284253 0.019717708 . . . 230 LEU . . 230 LEU . 26791 2 28 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.863818537 0.026298605 . . . 232 SER . . 232 SER . 26791 2 29 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.814664701 0.019026495 . . . 234 THR . . 234 THR . 26791 2 30 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.827709718 0.011724731 . . . 235 SER . . 235 SER . 26791 2 31 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.86439567 0.031795215 . . . 236 GLU . . 236 GLU . 26791 2 32 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.871676557 0.015920565 . . . 238 GLU . . 238 GLU . 26791 2 33 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.809508552 0.013124716 . . . 240 GLU . . 240 GLU . 26791 2 34 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.860554708 0.014125995 . . . 241 PHE . . 241 PHE . 26791 2 35 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.861865796 0.012707854 . . . 243 TYR . . 243 TYR . 26791 2 36 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.831413943 0.015896614 . . . 244 LYS . . 244 LYS . 26791 2 37 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.849387758 0.017655033 . . . 246 ALA . . 246 ALA . 26791 2 38 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.822340826 0.0182888 . . . 247 GLY . . 247 GLY . 26791 2 39 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.816403131 0.017796519 . . . 248 GLY . . 248 GLY . 26791 2 40 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.842291084 0.014952531 . . . 249 LEU . . 249 LEU . 26791 2 41 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.846399281 0.01682534 . . . 250 ILE . . 250 ILE . 26791 2 42 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.832127587 0.018768772 . . . 251 TYR . . 251 TYR . 26791 2 43 . 1 1 62 62 TRP N N 15 . 1 1 62 62 TRP H H 1 0.838505492 0.024512174 . . . 252 TRP . . 252 TRP . 26791 2 44 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.872243628 0.025553222 . . . 253 ILE . . 253 ILE . 26791 2 45 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.899981542 0.027536367 . . . 254 GLY . . 254 GLY . 26791 2 46 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.875330206 0.01841971 . . . 255 LEU . . 255 LEU . 26791 2 47 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.818318673 0.018908868 . . . 256 THR . . 256 THR . 26791 2 48 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.820218678 0.022579916 . . . 257 LYS . . 257 LYS . 26791 2 49 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.249174625 0.010300798 . . . 259 GLY . . 259 GLY . 26791 2 50 . 1 1 70 70 MET N N 15 . 1 1 70 70 MET H H 1 0.550880477 0.012013919 . . . 260 MET . . 260 MET . 26791 2 51 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.516316553 0.009349289 . . . 261 GLU . . 261 GLU . 26791 2 52 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.4975697 0.010183392 . . . 262 GLY . . 262 GLY . 26791 2 53 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.713225107 0.048243467 . . . 264 TRP . . 264 TRP . 26791 2 54 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.821692113 0.020960304 . . . 265 SER . . 265 SER . 26791 2 55 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 0.807368814 0.022100676 . . . 266 TRP . . 266 TRP . 26791 2 56 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.867050137 0.020221983 . . . 267 VAL . . 267 VAL . 26791 2 57 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.560239312 0.008758168 . . . 268 ASP . . 268 ASP . 26791 2 58 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.855529177 0.014888281 . . . 270 THR . . 270 THR . 26791 2 59 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.836021399 0.015287187 . . . 272 PHE . . 272 PHE . 26791 2 60 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.771677561 0.020533248 . . . 273 ASN . . 273 ASN . 26791 2 61 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.731706773 0.024727158 . . . 274 LYS . . 274 LYS . 26791 2 62 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.719509505 0.012248168 . . . 275 VAL . . 275 VAL . 26791 2 63 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.761556106 0.015018779 . . . 276 GLN . . 276 GLN . 26791 2 64 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.756879799 0.015588878 . . . 277 SER . . 277 SER . 26791 2 65 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.807657704 0.015715219 . . . 278 ALA . . 278 ALA . 26791 2 66 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.700520662 0.017158663 . . . 279 ARG . . 279 ARG . 26791 2 67 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.772984409 0.018268035 . . . 280 PHE . . 280 PHE . 26791 2 68 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 0.811166384 0.017085251 . . . 281 TRP . . 281 TRP . 26791 2 69 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 0.838092772 0.031663721 . . . 282 ILE . . 282 ILE . 26791 2 70 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.806205567 0.02223052 . . . 284 GLY . . 284 GLY . 26791 2 71 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.758546944 0.017044465 . . . 285 GLU . . 285 GLU . 26791 2 72 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.572564534 0.012354084 . . . 290 GLY . . 290 GLY . 26791 2 73 . 1 1 101 101 ASN N N 15 . 1 1 101 101 ASN H H 1 0.606254688 0.01361772 . . . 291 ASN . . 291 ASN . 26791 2 74 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.47262194 0.032103541 . . . 292 ASN . . 292 ASN . 26791 2 75 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.899242375 0.025012529 . . . 297 ASN . . 297 ASN . 26791 2 76 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.820619626 0.026208847 . . . 299 LYS . . 299 LYS . 26791 2 77 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.707828628 0.016747016 . . . 300 ALA . . 300 ALA . 26791 2 78 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.819410305 0.015336636 . . . 303 LEU . . 303 LEU . 26791 2 79 . 1 1 114 114 GLN N N 15 . 1 1 114 114 GLN H H 1 0.815180743 0.018238607 . . . 304 GLN . . 304 GLN . 26791 2 80 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.782226847 0.022634678 . . . 305 ALA . . 305 ALA . 26791 2 81 . 1 1 116 116 TRP N N 15 . 1 1 116 116 TRP H H 1 0.818854132 0.019966354 . . . 306 TRP . . 306 TRP . 26791 2 82 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.81781586 0.012820131 . . . 314 THR . . 314 THR . 26791 2 83 . 1 1 125 125 PHE N N 15 . 1 1 125 125 PHE H H 1 0.809406143 0.016940189 . . . 315 PHE . . 315 PHE . 26791 2 84 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.844386355 0.017925566 . . . 316 LEU . . 316 LEU . 26791 2 85 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.884902522 0.020393193 . . . 318 ILE . . 318 ILE . 26791 2 86 . 1 1 129 129 CYS N N 15 . 1 1 129 129 CYS H H 1 0.857851295 0.018121182 . . . 319 CYS . . 319 CYS . 26791 2 87 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.841824776 0.016493692 . . . 320 LYS . . 320 LYS . 26791 2 88 . 1 1 131 131 ARG N N 15 . 1 1 131 131 ARG H H 1 0.86895519 0.017150215 . . . 321 ARG . . 321 ARG . 26791 2 89 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.765249625 0.017819564 . . . 323 TYR . . 323 TYR . 26791 2 90 . 1 1 134 134 VAL N N 15 . 1 1 134 134 VAL H H 1 0.606412308 0.01350311 . . . 324 VAL . . 324 VAL . 26791 2 stop_ save_ save_holo_LangCRD_hNOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode holo_LangCRD_hNOE_600 _Heteronucl_NOE_list.Entry_ID 26791 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $holo_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 230000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 14 '2D 1H-15N HSQC hNOE' . . . 26791 3 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 26791 3 4 $NMRPipe . . 26791 3 5 $relax . . 26791 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.53600345 0.014927432 . . . 198 GLY . . 198 GLY . 26791 3 2 . 1 1 9 9 TRP N N 15 . 1 1 9 9 TRP H H 1 0.636534751 0.008040506 . . . 199 TRP . . 199 TRP . 26791 3 3 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.781613204 0.011793837 . . . 200 LYS . . 200 LYS . 26791 3 4 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.722994848 0.01433578 . . . 201 TYR . . 201 TYR . 26791 3 5 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.809697603 0.01013418 . . . 202 PHE . . 202 PHE . 26791 3 6 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.795318199 0.010641545 . . . 203 LYS . . 203 LYS . 26791 3 7 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.790872117 0.012711941 . . . 204 GLY . . 204 GLY . 26791 3 8 . 1 1 15 15 ASN N N 15 . 1 1 15 15 ASN H H 1 0.807226613 0.008871402 . . . 205 ASN . . 205 ASN . 26791 3 9 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.783544816 0.014886924 . . . 206 PHE . . 206 PHE . 26791 3 10 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.817920345 0.014350106 . . . 207 TYR . . 207 TYR . 26791 3 11 . 1 1 19 19 PHE N N 15 . 1 1 19 19 PHE H H 1 0.805269995 0.012880108 . . . 209 PHE . . 209 PHE . 26791 3 12 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.814610784 0.0114202 . . . 210 SER . . 210 SER . 26791 3 13 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.771468197 0.011230452 . . . 212 ILE . . 212 ILE . 26791 3 14 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.804238854 0.010933825 . . . 214 LYS . . 214 LYS . 26791 3 15 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.83197229 0.013702649 . . . 215 THR . . 215 THR . 26791 3 16 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.714390722 0.026480225 . . . 217 TYR . . 217 TYR . 26791 3 17 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.81589431 0.013290205 . . . 218 SER . . 218 SER . 26791 3 18 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.8162302 0.011035103 . . . 219 ALA . . 219 ALA . 26791 3 19 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.820179502 0.01082234 . . . 220 GLU . . 220 GLU . 26791 3 20 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.817387624 0.012133628 . . . 221 GLN . . 221 GLN . 26791 3 21 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.844532177 0.01032275 . . . 223 CYS . . 223 CYS . 26791 3 22 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.838609423 0.010685693 . . . 224 VAL . . 224 VAL . 26791 3 23 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.799545881 0.011798435 . . . 225 SER . . 225 SER . 26791 3 24 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.814667308 0.009997681 . . . 227 ASN . . 227 ASN . 26791 3 25 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.827195824 0.009882363 . . . 228 SER . . 228 SER . 26791 3 26 . 1 1 39 39 HIS N N 15 . 1 1 39 39 HIS H H 1 0.775969519 0.010620916 . . . 229 HIS . . 229 HIS . 26791 3 27 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.810437381 0.012823628 . . . 230 LEU . . 230 LEU . 26791 3 28 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.78529822 0.013656907 . . . 232 SER . . 232 SER . 26791 3 29 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.797018851 0.013141915 . . . 234 THR . . 234 THR . 26791 3 30 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.801217857 0.008303799 . . . 235 SER . . 235 SER . 26791 3 31 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.815698904 0.015015708 . . . 236 GLU . . 236 GLU . 26791 3 32 . 1 1 47 47 SER N N 15 . 1 1 47 47 SER H H 1 0.800579311 0.00989906 . . . 237 SER . . 237 SER . 26791 3 33 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.834335407 0.010770067 . . . 238 GLU . . 238 GLU . 26791 3 34 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.811325869 0.009757811 . . . 240 GLU . . 240 GLU . 26791 3 35 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.81919563 0.009479798 . . . 241 PHE . . 241 PHE . 26791 3 36 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.838572955 0.008608999 . . . 243 TYR . . 243 TYR . 26791 3 37 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.811780688 0.009876212 . . . 244 LYS . . 244 LYS . 26791 3 38 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.815318252 0.010072386 . . . 245 THR . . 245 THR . 26791 3 39 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.772821558 0.010486053 . . . 247 GLY . . 247 GLY . 26791 3 40 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.731305894 0.010303934 . . . 248 GLY . . 248 GLY . 26791 3 41 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.779053573 0.010903608 . . . 250 ILE . . 250 ILE . 26791 3 42 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.838008113 0.013515547 . . . 251 TYR . . 251 TYR . 26791 3 43 . 1 1 62 62 TRP N N 15 . 1 1 62 62 TRP H H 1 0.835124935 0.012828374 . . . 252 TRP . . 252 TRP . 26791 3 44 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.818637454 0.014893169 . . . 253 ILE . . 253 ILE . 26791 3 45 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.81974252 0.014902322 . . . 254 GLY . . 254 GLY . 26791 3 46 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.819772454 0.012766929 . . . 255 LEU . . 255 LEU . 26791 3 47 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.813603795 0.01063964 . . . 256 THR . . 256 THR . 26791 3 48 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.77729177 0.015822856 . . . 257 LYS . . 257 LYS . 26791 3 49 . 1 1 68 68 ALA N N 15 . 1 1 68 68 ALA H H 1 0.5215952 0.011074371 . . . 258 ALA . . 258 ALA . 26791 3 50 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.22691585 0.007501574 . . . 259 GLY . . 259 GLY . 26791 3 51 . 1 1 70 70 MET N N 15 . 1 1 70 70 MET H H 1 0.411640456 0.007608018 . . . 260 MET . . 260 MET . 26791 3 52 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.366830245 0.007592963 . . . 261 GLU . . 261 GLU . 26791 3 53 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.434906041 0.007931877 . . . 262 GLY . . 262 GLY . 26791 3 54 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.649947705 0.011447768 . . . 264 TRP . . 264 TRP . 26791 3 55 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 0.805186962 0.011272367 . . . 266 TRP . . 266 TRP . 26791 3 56 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.826976413 0.012784095 . . . 267 VAL . . 267 VAL . 26791 3 57 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.776057254 0.008960088 . . . 268 ASP . . 268 ASP . 26791 3 58 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.884889567 0.010565468 . . . 270 THR . . 270 THR . 26791 3 59 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.797646377 0.00997409 . . . 272 PHE . . 272 PHE . 26791 3 60 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.725889256 0.009975753 . . . 273 ASN . . 273 ASN . 26791 3 61 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.734308459 0.017238476 . . . 274 LYS . . 274 LYS . 26791 3 62 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.675688377 0.008096377 . . . 275 VAL . . 275 VAL . 26791 3 63 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.730129429 0.008471474 . . . 276 GLN . . 276 GLN . 26791 3 64 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.671819069 0.008416518 . . . 277 SER . . 277 SER . 26791 3 65 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.75877731 0.007974858 . . . 278 ALA . . 278 ALA . 26791 3 66 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.670435608 0.008533905 . . . 279 ARG . . 279 ARG . 26791 3 67 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.778938809 0.010047433 . . . 280 PHE . . 280 PHE . 26791 3 68 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 0.787802803 0.008130765 . . . 281 TRP . . 281 TRP . 26791 3 69 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.791213294 0.010997666 . . . 284 GLY . . 284 GLY . 26791 3 70 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.822938757 0.010275934 . . . 285 GLU . . 285 GLU . 26791 3 71 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.824232672 0.01211984 . . . 297 ASN . . 297 ASN . 26791 3 72 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.816802185 0.01335285 . . . 299 LYS . . 299 LYS . 26791 3 73 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.680456029 0.00917427 . . . 300 ALA . . 300 ALA . 26791 3 74 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.755120452 0.008796983 . . . 303 LEU . . 303 LEU . 26791 3 75 . 1 1 114 114 GLN N N 15 . 1 1 114 114 GLN H H 1 0.797522529 0.010315077 . . . 304 GLN . . 304 GLN . 26791 3 76 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.739130429 0.011393887 . . . 305 ALA . . 305 ALA . 26791 3 77 . 1 1 116 116 TRP N N 15 . 1 1 116 116 TRP H H 1 0.829864155 0.012058669 . . . 306 TRP . . 306 TRP . 26791 3 78 . 1 1 123 123 LYS N N 15 . 1 1 123 123 LYS H H 1 0.822838911 0.011634057 . . . 313 LYS . . 313 LYS . 26791 3 79 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.792327877 0.009189811 . . . 314 THR . . 314 THR . 26791 3 80 . 1 1 125 125 PHE N N 15 . 1 1 125 125 PHE H H 1 -0.783484467 0.005816014 . . . 315 PHE . . 315 PHE . 26791 3 81 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.847554551 0.01306718 . . . 318 ILE . . 318 ILE . 26791 3 82 . 1 1 129 129 CYS N N 15 . 1 1 129 129 CYS H H 1 0.861229821 0.014219087 . . . 319 CYS . . 319 CYS . 26791 3 83 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.818422951 0.011396685 . . . 320 LYS . . 320 LYS . 26791 3 84 . 1 1 131 131 ARG N N 15 . 1 1 131 131 ARG H H 1 0.82093723 0.011607674 . . . 321 ARG . . 321 ARG . 26791 3 85 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.743315262 0.012640948 . . . 323 TYR . . 323 TYR . 26791 3 86 . 1 1 134 134 VAL N N 15 . 1 1 134 134 VAL H H 1 0.523136112 0.01333169 . . . 324 VAL . . 324 VAL . 26791 3 stop_ save_ save_holo_LangCRD_hNOE_750 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode holo_LangCRD_hNOE_750 _Heteronucl_NOE_list.Entry_ID 26791 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $holo_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 230000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 14 '2D 1H-15N HSQC hNOE' . . . 26791 4 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 26791 4 4 $NMRPipe . . 26791 4 5 $relax . . 26791 4 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.608265917 0.014423414 . . . 198 GLY . . 198 GLY . 26791 4 2 . 1 1 9 9 TRP N N 15 . 1 1 9 9 TRP H H 1 0.735588311 0.012509374 . . . 199 TRP . . 199 TRP . 26791 4 3 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.79890254 0.017564724 . . . 200 LYS . . 200 LYS . 26791 4 4 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.774351137 0.014662729 . . . 201 TYR . . 201 TYR . 26791 4 5 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.839559865 0.014491357 . . . 202 PHE . . 202 PHE . 26791 4 6 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.850814285 0.016788865 . . . 203 LYS . . 203 LYS . 26791 4 7 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.822131944 0.018373623 . . . 204 GLY . . 204 GLY . 26791 4 8 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.844397504 0.016805503 . . . 206 PHE . . 206 PHE . 26791 4 9 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.84614207 0.020396344 . . . 207 TYR . . 207 TYR . 26791 4 10 . 1 1 18 18 TYR N N 15 . 1 1 18 18 TYR H H 1 0.845572906 0.019838337 . . . 208 TYR . . 208 TYR . 26791 4 11 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.857854088 0.015859946 . . . 210 SER . . 210 SER . 26791 4 12 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.779344055 0.016270355 . . . 212 ILE . . 212 ILE . 26791 4 13 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.796681317 0.014355047 . . . 214 LYS . . 214 LYS . 26791 4 14 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.836374844 0.015282936 . . . 215 THR . . 215 THR . 26791 4 15 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.845762472 0.025595556 . . . 217 TYR . . 217 TYR . 26791 4 16 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.820537722 0.016576102 . . . 218 SER . . 218 SER . 26791 4 17 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.83184411 0.014209303 . . . 219 ALA . . 219 ALA . 26791 4 18 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.855072762 0.012566154 . . . 221 GLN . . 221 GLN . 26791 4 19 . 1 1 32 32 PHE N N 15 . 1 1 32 32 PHE H H 1 0.89988708 0.014198359 . . . 222 PHE . . 222 PHE . 26791 4 20 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.84148155 0.013976003 . . . 223 CYS . . 223 CYS . 26791 4 21 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.857565069 0.014798212 . . . 224 VAL . . 224 VAL . 26791 4 22 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.881685751 0.014946501 . . . 225 SER . . 225 SER . 26791 4 23 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.837842518 0.014030981 . . . 226 ARG . . 226 ARG . 26791 4 24 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.848505128 0.013632372 . . . 227 ASN . . 227 ASN . 26791 4 25 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.839850828 0.011909108 . . . 228 SER . . 228 SER . 26791 4 26 . 1 1 39 39 HIS N N 15 . 1 1 39 39 HIS H H 1 0.811485526 0.013356427 . . . 229 HIS . . 229 HIS . 26791 4 27 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.850284253 0.019717708 . . . 230 LEU . . 230 LEU . 26791 4 28 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.863818537 0.026298605 . . . 232 SER . . 232 SER . 26791 4 29 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.814664701 0.019026495 . . . 234 THR . . 234 THR . 26791 4 30 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.827709718 0.011724731 . . . 235 SER . . 235 SER . 26791 4 31 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.86439567 0.031795215 . . . 236 GLU . . 236 GLU . 26791 4 32 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.871676557 0.015920565 . . . 238 GLU . . 238 GLU . 26791 4 33 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.809508552 0.013124716 . . . 240 GLU . . 240 GLU . 26791 4 34 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.860554708 0.014125995 . . . 241 PHE . . 241 PHE . 26791 4 35 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.861865796 0.012707854 . . . 243 TYR . . 243 TYR . 26791 4 36 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.831413943 0.015896614 . . . 244 LYS . . 244 LYS . 26791 4 37 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.849387758 0.017655033 . . . 246 ALA . . 246 ALA . 26791 4 38 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.822340826 0.0182888 . . . 247 GLY . . 247 GLY . 26791 4 39 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.816403131 0.017796519 . . . 248 GLY . . 248 GLY . 26791 4 40 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.842291084 0.014952531 . . . 249 LEU . . 249 LEU . 26791 4 41 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.846399281 0.01682534 . . . 250 ILE . . 250 ILE . 26791 4 42 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.832127587 0.018768772 . . . 251 TYR . . 251 TYR . 26791 4 43 . 1 1 62 62 TRP N N 15 . 1 1 62 62 TRP H H 1 0.838505492 0.024512174 . . . 252 TRP . . 252 TRP . 26791 4 44 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.872243628 0.025553222 . . . 253 ILE . . 253 ILE . 26791 4 45 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.899981542 0.027536367 . . . 254 GLY . . 254 GLY . 26791 4 46 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.875330206 0.01841971 . . . 255 LEU . . 255 LEU . 26791 4 47 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.818318673 0.018908868 . . . 256 THR . . 256 THR . 26791 4 48 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.820218678 0.022579916 . . . 257 LYS . . 257 LYS . 26791 4 49 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.249174625 0.010300798 . . . 259 GLY . . 259 GLY . 26791 4 50 . 1 1 70 70 MET N N 15 . 1 1 70 70 MET H H 1 0.550880477 0.012013919 . . . 260 MET . . 260 MET . 26791 4 51 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.516316553 0.009349289 . . . 261 GLU . . 261 GLU . 26791 4 52 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.4975697 0.010183392 . . . 262 GLY . . 262 GLY . 26791 4 53 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.713225107 0.048243467 . . . 264 TRP . . 264 TRP . 26791 4 54 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.821692113 0.020960304 . . . 265 SER . . 265 SER . 26791 4 55 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 0.807368814 0.022100676 . . . 266 TRP . . 266 TRP . 26791 4 56 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.867050137 0.020221983 . . . 267 VAL . . 267 VAL . 26791 4 57 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.560239312 0.008758168 . . . 268 ASP . . 268 ASP . 26791 4 58 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.855529177 0.014888281 . . . 270 THR . . 270 THR . 26791 4 59 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.836021399 0.015287187 . . . 272 PHE . . 272 PHE . 26791 4 60 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.771677561 0.020533248 . . . 273 ASN . . 273 ASN . 26791 4 61 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.731706773 0.024727158 . . . 274 LYS . . 274 LYS . 26791 4 62 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.719509505 0.012248168 . . . 275 VAL . . 275 VAL . 26791 4 63 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.761556106 0.015018779 . . . 276 GLN . . 276 GLN . 26791 4 64 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.756879799 0.015588878 . . . 277 SER . . 277 SER . 26791 4 65 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.807657704 0.015715219 . . . 278 ALA . . 278 ALA . 26791 4 66 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.700520662 0.017158663 . . . 279 ARG . . 279 ARG . 26791 4 67 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.772984409 0.018268035 . . . 280 PHE . . 280 PHE . 26791 4 68 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 0.811166384 0.017085251 . . . 281 TRP . . 281 TRP . 26791 4 69 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 0.838092772 0.031663721 . . . 282 ILE . . 282 ILE . 26791 4 70 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.806205567 0.02223052 . . . 284 GLY . . 284 GLY . 26791 4 71 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.758546944 0.017044465 . . . 285 GLU . . 285 GLU . 26791 4 72 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.572564534 0.012354084 . . . 290 GLY . . 290 GLY . 26791 4 73 . 1 1 101 101 ASN N N 15 . 1 1 101 101 ASN H H 1 0.606254688 0.01361772 . . . 291 ASN . . 291 ASN . 26791 4 74 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.47262194 0.032103541 . . . 292 ASN . . 292 ASN . 26791 4 75 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.899242375 0.025012529 . . . 297 ASN . . 297 ASN . 26791 4 76 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.820619626 0.026208847 . . . 299 LYS . . 299 LYS . 26791 4 77 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.707828628 0.016747016 . . . 300 ALA . . 300 ALA . 26791 4 78 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.819410305 0.015336636 . . . 303 LEU . . 303 LEU . 26791 4 79 . 1 1 114 114 GLN N N 15 . 1 1 114 114 GLN H H 1 0.815180743 0.018238607 . . . 304 GLN . . 304 GLN . 26791 4 80 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.782226847 0.022634678 . . . 305 ALA . . 305 ALA . 26791 4 81 . 1 1 116 116 TRP N N 15 . 1 1 116 116 TRP H H 1 0.818854132 0.019966354 . . . 306 TRP . . 306 TRP . 26791 4 82 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.81781586 0.012820131 . . . 314 THR . . 314 THR . 26791 4 83 . 1 1 125 125 PHE N N 15 . 1 1 125 125 PHE H H 1 0.809406143 0.016940189 . . . 315 PHE . . 315 PHE . 26791 4 84 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.844386355 0.017925566 . . . 316 LEU . . 316 LEU . 26791 4 85 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.884902522 0.020393193 . . . 318 ILE . . 318 ILE . 26791 4 86 . 1 1 129 129 CYS N N 15 . 1 1 129 129 CYS H H 1 0.857851295 0.018121182 . . . 319 CYS . . 319 CYS . 26791 4 87 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.841824776 0.016493692 . . . 320 LYS . . 320 LYS . 26791 4 88 . 1 1 131 131 ARG N N 15 . 1 1 131 131 ARG H H 1 0.86895519 0.017150215 . . . 321 ARG . . 321 ARG . 26791 4 89 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.765249625 0.017819564 . . . 323 TYR . . 323 TYR . 26791 4 90 . 1 1 134 134 VAL N N 15 . 1 1 134 134 VAL H H 1 0.606412308 0.01350311 . . . 324 VAL . . 324 VAL . 26791 4 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_holo_LangCRD_R1_750 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode holo_LangCRD_R1_750 _Heteronucl_T1_list.Entry_ID 26791 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $holo_conditions _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 12 '2D 1H-15N HSQC R1' . . . 26791 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $SPARKY . . 26791 1 4 $NMRPipe . . 26791 1 5 $relax . . 26791 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 8 8 GLY N N 15 1.56087847 0.066439713 . . 198 GLY N 26791 1 2 . 1 1 9 9 TRP N N 15 1.143541616 0.019112648 . . 199 TRP N 26791 1 3 . 1 1 10 10 LYS N N 15 0.940944946 0.02945462 . . 200 LYS N 26791 1 4 . 1 1 11 11 TYR N N 15 1.008693328 0.028843719 . . 201 TYR N 26791 1 5 . 1 1 12 12 PHE N N 15 1.176673512 0.027884254 . . 202 PHE N 26791 1 6 . 1 1 13 13 LYS N N 15 1.122425615 0.02952403 . . 203 LYS N 26791 1 7 . 1 1 14 14 GLY N N 15 1.008300812 0.028601127 . . 204 GLY N 26791 1 8 . 1 1 15 15 ASN N N 15 1.202381708 0.022697016 . . 205 ASN N 26791 1 9 . 1 1 16 16 PHE N N 15 1.120919621 0.035858199 . . 206 PHE N 26791 1 10 . 1 1 17 17 TYR N N 15 0.99944512 0.038445219 . . 207 TYR N 26791 1 11 . 1 1 18 18 TYR N N 15 1.061679376 0.036053295 . . 208 TYR N 26791 1 12 . 1 1 19 19 PHE N N 15 0.927297692 0.029620606 . . 209 PHE N 26791 1 13 . 1 1 20 20 SER N N 15 1.034992198 0.026205851 . . 210 SER N 26791 1 14 . 1 1 22 22 ILE N N 15 1.04085291 0.024365443 . . 212 ILE N 26791 1 15 . 1 1 24 24 LYS N N 15 1.079238224 0.02351157 . . 214 LYS N 26791 1 16 . 1 1 25 25 THR N N 15 1.083027638 0.027410679 . . 215 THR N 26791 1 17 . 1 1 26 26 TRP N N 15 1.153848624 0.03043449 . . 216 TRP N 26791 1 18 . 1 1 27 27 TYR N N 15 1.032723052 0.066576148 . . 217 TYR N 26791 1 19 . 1 1 28 28 SER N N 15 1.09274938 0.028405665 . . 218 SER N 26791 1 20 . 1 1 29 29 ALA N N 15 1.036037184 0.023031702 . . 219 ALA N 26791 1 21 . 1 1 30 30 GLU N N 15 0.980180147 0.020866806 . . 220 GLU N 26791 1 22 . 1 1 31 31 GLN N N 15 0.993397905 0.02461884 . . 221 GLN N 26791 1 23 . 1 1 32 32 PHE N N 15 1.155679447 0.016923571 . . 222 PHE N 26791 1 24 . 1 1 33 33 CYS N N 15 1.013321095 0.021733013 . . 223 CYS N 26791 1 25 . 1 1 34 34 VAL N N 15 1.054600653 0.026217305 . . 224 VAL N 26791 1 26 . 1 1 35 35 SER N N 15 1.10191116 0.023861555 . . 225 SER N 26791 1 27 . 1 1 36 36 ARG N N 15 1.016671424 0.024083238 . . 226 ARG N 26791 1 28 . 1 1 37 37 ASN N N 15 1.159619234 0.018570208 . . 227 ASN N 26791 1 29 . 1 1 38 38 SER N N 15 1.144770338 0.021491517 . . 228 SER N 26791 1 30 . 1 1 39 39 HIS N N 15 1.106748235 0.027437317 . . 229 HIS N 26791 1 31 . 1 1 40 40 LEU N N 15 1.11373113 0.036459921 . . 230 LEU N 26791 1 32 . 1 1 42 42 SER N N 15 1.05716095 0.037910313 . . 232 SER N 26791 1 33 . 1 1 44 44 THR N N 15 1.060798832 0.02966369 . . 234 THR N 26791 1 34 . 1 1 45 45 SER N N 15 1.252980749 0.019295312 . . 235 SER N 26791 1 35 . 1 1 46 46 GLU N N 15 1.320220369 0.052962112 . . 236 GLU N 26791 1 36 . 1 1 47 47 SER N N 15 1.340867937 0.029621295 . . 237 SER N 26791 1 37 . 1 1 48 48 GLU N N 15 1.262738872 0.025983746 . . 238 GLU N 26791 1 38 . 1 1 50 50 GLU N N 15 1.191450688 0.020825087 . . 240 GLU N 26791 1 39 . 1 1 51 51 PHE N N 15 1.133487619 0.018456439 . . 241 PHE N 26791 1 40 . 1 1 53 53 TYR N N 15 1.121029403 0.022852663 . . 243 TYR N 26791 1 41 . 1 1 54 54 LYS N N 15 1.174057727 0.021139577 . . 244 LYS N 26791 1 42 . 1 1 55 55 THR N N 15 1.133087743 0.021204756 . . 245 THR N 26791 1 43 . 1 1 56 56 ALA N N 15 1.119782483 0.020207255 . . 246 ALA N 26791 1 44 . 1 1 57 57 GLY N N 15 1.042444709 0.021317803 . . 247 GLY N 26791 1 45 . 1 1 58 58 GLY N N 15 1.083696863 0.024407971 . . 248 GLY N 26791 1 46 . 1 1 59 59 LEU N N 15 1.011070835 0.016360383 . . 249 LEU N 26791 1 47 . 1 1 60 60 ILE N N 15 1.017982137 0.022757219 . . 250 ILE N 26791 1 48 . 1 1 61 61 TYR N N 15 1.060375845 0.028595413 . . 251 TYR N 26791 1 49 . 1 1 62 62 TRP N N 15 1.021958761 0.033905715 . . 252 TRP N 26791 1 50 . 1 1 63 63 ILE N N 15 0.966299673 0.031475661 . . 253 ILE N 26791 1 51 . 1 1 64 64 GLY N N 15 1.069132707 0.037549972 . . 254 GLY N 26791 1 52 . 1 1 65 65 LEU N N 15 1.088674878 0.0329349 . . 255 LEU N 26791 1 53 . 1 1 66 66 THR N N 15 1.116078327 0.027047955 . . 256 THR N 26791 1 54 . 1 1 67 67 LYS N N 15 1.139197206 0.040983981 . . 257 LYS N 26791 1 55 . 1 1 68 68 ALA N N 15 1.352883683 0.028983988 . . 258 ALA N 26791 1 56 . 1 1 69 69 GLY N N 15 1.379303932 0.020390989 . . 259 GLY N 26791 1 57 . 1 1 70 70 MET N N 15 1.495917587 0.025480395 . . 260 MET N 26791 1 58 . 1 1 71 71 GLU N N 15 1.442249013 0.02050582 . . 261 GLU N 26791 1 59 . 1 1 72 72 GLY N N 15 1.494987972 0.02266077 . . 262 GLY N 26791 1 60 . 1 1 74 74 TRP N N 15 1.123600292 0.020240498 . . 264 TRP N 26791 1 61 . 1 1 76 76 TRP N N 15 1.142053828 0.03037177 . . 266 TRP N 26791 1 62 . 1 1 77 77 VAL N N 15 1.132597818 0.032604938 . . 267 VAL N 26791 1 63 . 1 1 78 78 ASP N N 15 1.236673206 0.026269314 . . 268 ASP N 26791 1 64 . 1 1 80 80 THR N N 15 1.284222284 0.024847548 . . 270 THR N 26791 1 65 . 1 1 82 82 PHE N N 15 1.078609317 0.02351533 . . 272 PHE N 26791 1 66 . 1 1 83 83 ASN N N 15 1.166089536 0.027378802 . . 273 ASN N 26791 1 67 . 1 1 84 84 LYS N N 15 1.22294275 0.066581238 . . 274 LYS N 26791 1 68 . 1 1 85 85 VAL N N 15 1.111044751 0.015897956 . . 275 VAL N 26791 1 69 . 1 1 86 86 GLN N N 15 1.112581766 0.018671223 . . 276 GLN N 26791 1 70 . 1 1 87 87 SER N N 15 1.160950809 0.019780977 . . 277 SER N 26791 1 71 . 1 1 88 88 ALA N N 15 1.117758925 0.017709385 . . 278 ALA N 26791 1 72 . 1 1 89 89 ARG N N 15 1.080203555 0.018413248 . . 279 ARG N 26791 1 73 . 1 1 90 90 PHE N N 15 1.056628808 0.021359345 . . 280 PHE N 26791 1 74 . 1 1 91 91 TRP N N 15 1.06194461 0.02251463 . . 281 TRP N 26791 1 75 . 1 1 92 92 ILE N N 15 1.056259978 0.038501017 . . 282 ILE N 26791 1 76 . 1 1 94 94 GLY N N 15 1.055843816 0.027379357 . . 284 GLY N 26791 1 77 . 1 1 95 95 GLU N N 15 1.064964409 0.027584891 . . 285 GLU N 26791 1 78 . 1 1 107 107 ASN N N 15 1.001506371 0.028511469 . . 297 ASN N 26791 1 79 . 1 1 109 109 LYS N N 15 1.067764961 0.033337195 . . 299 LYS N 26791 1 80 . 1 1 110 110 ALA N N 15 1.095016603 0.021279021 . . 300 ALA N 26791 1 81 . 1 1 113 113 LEU N N 15 1.121585408 0.015919464 . . 303 LEU N 26791 1 82 . 1 1 114 114 GLN N N 15 1.038277766 0.019676472 . . 304 GLN N 26791 1 83 . 1 1 115 115 ALA N N 15 0.94662382 0.028436735 . . 305 ALA N 26791 1 84 . 1 1 116 116 TRP N N 15 1.055591268 0.029625626 . . 306 TRP N 26791 1 85 . 1 1 124 124 THR N N 15 0.949291003 0.015740214 . . 314 THR N 26791 1 86 . 1 1 125 125 PHE N N 15 1.257291394 0.021175077 . . 315 PHE N 26791 1 87 . 1 1 128 128 ILE N N 15 0.957090789 0.024939778 . . 318 ILE N 26791 1 88 . 1 1 129 129 CYS N N 15 1.089762278 0.037925154 . . 319 CYS N 26791 1 89 . 1 1 130 130 LYS N N 15 1.079821815 0.028715466 . . 320 LYS N 26791 1 90 . 1 1 131 131 ARG N N 15 1.190595912 0.036970257 . . 321 ARG N 26791 1 91 . 1 1 134 134 VAL N N 15 1.164916073 0.03743609 . . 324 VAL N 26791 1 stop_ save_ save_apo_LangCRD_R1_600 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode apo_LangCRD_R1_600 _Heteronucl_T1_list.Entry_ID 26791 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 3 _Heteronucl_T1_list.Sample_condition_list_label $apo_conditions _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 18 '2D 1H-15N HSQC R1' . . . 26791 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $SPARKY . . 26791 2 4 $NMRPipe . . 26791 2 5 $relax . . 26791 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 8 8 GLY N N 15 1.453135473 0.012368476 . . 198 GLY N 26791 2 2 . 1 1 9 9 TRP N N 15 1.185565865 0.004626002 . . 199 TRP N 26791 2 3 . 1 1 10 10 LYS N N 15 1.037646076 0.008493936 . . 200 LYS N 26791 2 4 . 1 1 11 11 TYR N N 15 1.08867275 0.007838345 . . 201 TYR N 26791 2 5 . 1 1 12 12 PHE N N 15 1.26305537 0.006954795 . . 202 PHE N 26791 2 6 . 1 1 13 13 LYS N N 15 1.230815492 0.00758288 . . 203 LYS N 26791 2 7 . 1 1 14 14 GLY N N 15 1.103043905 0.00849616 . . 204 GLY N 26791 2 8 . 1 1 16 16 PHE N N 15 1.217902531 0.010435355 . . 206 PHE N 26791 2 9 . 1 1 17 17 TYR N N 15 1.082367991 0.009478952 . . 207 TYR N 26791 2 10 . 1 1 18 18 TYR N N 15 1.132805076 0.009649847 . . 208 TYR N 26791 2 11 . 1 1 20 20 SER N N 15 1.130195142 0.006988726 . . 210 SER N 26791 2 12 . 1 1 22 22 ILE N N 15 1.145773122 0.007600156 . . 212 ILE N 26791 2 13 . 1 1 24 24 LYS N N 15 1.186288367 0.007276748 . . 214 LYS N 26791 2 14 . 1 1 25 25 THR N N 15 1.172321581 0.007255244 . . 215 THR N 26791 2 15 . 1 1 27 27 TYR N N 15 1.10786112 0.010805089 . . 217 TYR N 26791 2 16 . 1 1 28 28 SER N N 15 1.137223892 0.007672744 . . 218 SER N 26791 2 17 . 1 1 29 29 ALA N N 15 1.123327836 0.006770269 . . 219 ALA N 26791 2 18 . 1 1 31 31 GLN N N 15 1.099440947 0.005638689 . . 221 GLN N 26791 2 19 . 1 1 33 33 CYS N N 15 1.097198357 0.006489885 . . 223 CYS N 26791 2 20 . 1 1 34 34 VAL N N 15 1.135415064 0.006346122 . . 224 VAL N 26791 2 21 . 1 1 35 35 SER N N 15 1.158183423 0.006187021 . . 225 SER N 26791 2 22 . 1 1 36 36 ARG N N 15 1.083541073 0.006748895 . . 226 ARG N 26791 2 23 . 1 1 37 37 ASN N N 15 1.200219455 0.006057583 . . 227 ASN N 26791 2 24 . 1 1 38 38 SER N N 15 1.233432593 0.006537892 . . 228 SER N 26791 2 25 . 1 1 39 39 HIS N N 15 1.199528385 0.006508079 . . 229 HIS N 26791 2 26 . 1 1 40 40 LEU N N 15 1.186439518 0.010415557 . . 230 LEU N 26791 2 27 . 1 1 42 42 SER N N 15 1.121916528 0.013005758 . . 232 SER N 26791 2 28 . 1 1 44 44 THR N N 15 1.094916052 0.008637405 . . 234 THR N 26791 2 29 . 1 1 45 45 SER N N 15 1.278981606 0.006175734 . . 235 SER N 26791 2 30 . 1 1 46 46 GLU N N 15 1.272868963 0.023279146 . . 236 GLU N 26791 2 31 . 1 1 48 48 GLU N N 15 1.316356152 0.008399497 . . 238 GLU N 26791 2 32 . 1 1 50 50 GLU N N 15 1.265361334 0.007032948 . . 240 GLU N 26791 2 33 . 1 1 51 51 PHE N N 15 1.225148725 0.00766587 . . 241 PHE N 26791 2 34 . 1 1 53 53 TYR N N 15 1.242119293 0.006748791 . . 243 TYR N 26791 2 35 . 1 1 54 54 LYS N N 15 1.276578619 0.00727665 . . 244 LYS N 26791 2 36 . 1 1 56 56 ALA N N 15 1.236657034 0.007436265 . . 246 ALA N 26791 2 37 . 1 1 57 57 GLY N N 15 1.187964794 0.008047308 . . 247 GLY N 26791 2 38 . 1 1 58 58 GLY N N 15 1.210470711 0.007934959 . . 248 GLY N 26791 2 39 . 1 1 59 59 LEU N N 15 1.092678495 0.006982802 . . 249 LEU N 26791 2 40 . 1 1 60 60 ILE N N 15 1.147195541 0.007630918 . . 250 ILE N 26791 2 41 . 1 1 61 61 TYR N N 15 1.177942136 0.008520734 . . 251 TYR N 26791 2 42 . 1 1 62 62 TRP N N 15 1.171422797 0.013810958 . . 252 TRP N 26791 2 43 . 1 1 63 63 ILE N N 15 1.052907791 0.011128407 . . 253 ILE N 26791 2 44 . 1 1 64 64 GLY N N 15 1.161693884 0.013778417 . . 254 GLY N 26791 2 45 . 1 1 65 65 LEU N N 15 1.166183462 0.009116193 . . 255 LEU N 26791 2 46 . 1 1 66 66 THR N N 15 1.241185399 0.011487441 . . 256 THR N 26791 2 47 . 1 1 67 67 LYS N N 15 1.245103649 0.011056306 . . 257 LYS N 26791 2 48 . 1 1 69 69 GLY N N 15 1.279901135 0.004545792 . . 259 GLY N 26791 2 49 . 1 1 70 70 MET N N 15 1.416627349 0.005934367 . . 260 MET N 26791 2 50 . 1 1 71 71 GLU N N 15 1.449433496 0.004373838 . . 261 GLU N 26791 2 51 . 1 1 72 72 GLY N N 15 1.442868785 0.005761313 . . 262 GLY N 26791 2 52 . 1 1 74 74 TRP N N 15 1.161378707 0.018074715 . . 264 TRP N 26791 2 53 . 1 1 76 76 TRP N N 15 1.20143355 0.011091245 . . 266 TRP N 26791 2 54 . 1 1 77 77 VAL N N 15 1.250467013 0.010260484 . . 267 VAL N 26791 2 55 . 1 1 78 78 ASP N N 15 1.223373763 0.003369881 . . 268 ASP N 26791 2 56 . 1 1 80 80 THR N N 15 1.298590172 0.00749557 . . 270 THR N 26791 2 57 . 1 1 82 82 PHE N N 15 1.132286217 0.005905523 . . 272 PHE N 26791 2 58 . 1 1 83 83 ASN N N 15 1.213841412 0.010532216 . . 273 ASN N 26791 2 59 . 1 1 84 84 LYS N N 15 1.201575743 0.020617452 . . 274 LYS N 26791 2 60 . 1 1 85 85 VAL N N 15 1.209446792 0.004890758 . . 275 VAL N 26791 2 61 . 1 1 86 86 GLN N N 15 1.175214494 0.006758453 . . 276 GLN N 26791 2 62 . 1 1 87 87 SER N N 15 1.272142973 0.007733011 . . 277 SER N 26791 2 63 . 1 1 88 88 ALA N N 15 1.241708379 0.006391712 . . 278 ALA N 26791 2 64 . 1 1 89 89 ARG N N 15 1.217834349 0.007137546 . . 279 ARG N 26791 2 65 . 1 1 90 90 PHE N N 15 1.186367942 0.008886391 . . 280 PHE N 26791 2 66 . 1 1 91 91 TRP N N 15 1.16648826 0.00674708 . . 281 TRP N 26791 2 67 . 1 1 92 92 ILE N N 15 1.242844075 0.018802374 . . 282 ILE N 26791 2 68 . 1 1 95 95 GLU N N 15 1.150506813 0.008656052 . . 285 GLU N 26791 2 69 . 1 1 100 100 GLY N N 15 1.437189231 0.006434396 . . 290 GLY N 26791 2 70 . 1 1 101 101 ASN N N 15 1.345872579 0.008164907 . . 291 ASN N 26791 2 71 . 1 1 102 102 ASN N N 15 1.415246778 0.017952004 . . 292 ASN N 26791 2 72 . 1 1 107 107 ASN N N 15 1.112994279 0.010596383 . . 297 ASN N 26791 2 73 . 1 1 109 109 LYS N N 15 1.195001554 0.012528947 . . 299 LYS N 26791 2 74 . 1 1 110 110 ALA N N 15 1.160383283 0.007372933 . . 300 ALA N 26791 2 75 . 1 1 113 113 LEU N N 15 1.179846765 0.005675127 . . 303 LEU N 26791 2 76 . 1 1 114 114 GLN N N 15 1.15561265 0.007893811 . . 304 GLN N 26791 2 77 . 1 1 115 115 ALA N N 15 1.073001676 0.010279462 . . 305 ALA N 26791 2 78 . 1 1 116 116 TRP N N 15 1.204837179 0.009857868 . . 306 TRP N 26791 2 79 . 1 1 124 124 THR N N 15 1.028592763 0.005713183 . . 314 THR N 26791 2 80 . 1 1 125 125 PHE N N 15 1.165212026 0.008202853 . . 315 PHE N 26791 2 81 . 1 1 126 126 LEU N N 15 1.100937445 0.012046359 . . 316 LEU N 26791 2 82 . 1 1 128 128 ILE N N 15 1.05793802 0.010801857 . . 318 ILE N 26791 2 83 . 1 1 129 129 CYS N N 15 1.170978008 0.009674067 . . 319 CYS N 26791 2 84 . 1 1 130 130 LYS N N 15 1.173133534 0.008602841 . . 320 LYS N 26791 2 85 . 1 1 131 131 ARG N N 15 1.25899146 0.008672017 . . 321 ARG N 26791 2 86 . 1 1 133 133 TYR N N 15 1.140767229 0.008594252 . . 323 TYR N 26791 2 87 . 1 1 134 134 VAL N N 15 1.259512749 0.00726459 . . 324 VAL N 26791 2 stop_ save_ save_apo_LangCRD_R1_750 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode apo_LangCRD_R1_750 _Heteronucl_T1_list.Entry_ID 26791 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 3 _Heteronucl_T1_list.Sample_condition_list_label $apo_conditions _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 18 '2D 1H-15N HSQC R1' . . . 26791 3 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $SPARKY . . 26791 3 4 $NMRPipe . . 26791 3 5 $relax . . 26791 3 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 8 8 GLY N N 15 1.414643999 0.020356502 . . 198 GLY N 26791 3 2 . 1 1 9 9 TRP N N 15 1.076336555 0.011544552 . . 199 TRP N 26791 3 3 . 1 1 10 10 LYS N N 15 0.919383486 0.014452699 . . 200 LYS N 26791 3 4 . 1 1 11 11 TYR N N 15 0.916437287 0.013899736 . . 201 TYR N 26791 3 5 . 1 1 12 12 PHE N N 15 1.055711008 0.013494711 . . 202 PHE N 26791 3 6 . 1 1 13 13 LYS N N 15 1.021172759 0.014824401 . . 203 LYS N 26791 3 7 . 1 1 14 14 GLY N N 15 0.930610408 0.015983435 . . 204 GLY N 26791 3 8 . 1 1 16 16 PHE N N 15 0.992841318 0.020802987 . . 206 PHE N 26791 3 9 . 1 1 17 17 TYR N N 15 0.911917614 0.019900957 . . 207 TYR N 26791 3 10 . 1 1 18 18 TYR N N 15 0.984232671 0.018962685 . . 208 TYR N 26791 3 11 . 1 1 20 20 SER N N 15 0.943530543 0.012959972 . . 210 SER N 26791 3 12 . 1 1 22 22 ILE N N 15 0.969865043 0.012051455 . . 212 ILE N 26791 3 13 . 1 1 24 24 LYS N N 15 0.995829632 0.011802434 . . 214 LYS N 26791 3 14 . 1 1 25 25 THR N N 15 0.994464261 0.011506239 . . 215 THR N 26791 3 15 . 1 1 27 27 TYR N N 15 0.907127209 0.026872161 . . 217 TYR N 26791 3 16 . 1 1 28 28 SER N N 15 0.991574324 0.013229545 . . 218 SER N 26791 3 17 . 1 1 29 29 ALA N N 15 0.961656449 0.011614332 . . 219 ALA N 26791 3 18 . 1 1 31 31 GLN N N 15 0.926768972 0.008586682 . . 221 GLN N 26791 3 19 . 1 1 32 32 PHE N N 15 1.032556953 0.008502227 . . 222 PHE N 26791 3 20 . 1 1 33 33 CYS N N 15 0.945799481 0.0103735 . . 223 CYS N 26791 3 21 . 1 1 34 34 VAL N N 15 0.954456663 0.013195684 . . 224 VAL N 26791 3 22 . 1 1 35 35 SER N N 15 0.990319134 0.010595397 . . 225 SER N 26791 3 23 . 1 1 36 36 ARG N N 15 0.950420573 0.010207751 . . 226 ARG N 26791 3 24 . 1 1 37 37 ASN N N 15 1.104761899 0.008371694 . . 227 ASN N 26791 3 25 . 1 1 38 38 SER N N 15 1.04240428 0.010017607 . . 228 SER N 26791 3 26 . 1 1 39 39 HIS N N 15 1.025718803 0.011798958 . . 229 HIS N 26791 3 27 . 1 1 40 40 LEU N N 15 1.027849625 0.016957745 . . 230 LEU N 26791 3 28 . 1 1 42 42 SER N N 15 0.954638592 0.023087073 . . 232 SER N 26791 3 29 . 1 1 44 44 THR N N 15 0.960291268 0.014905556 . . 234 THR N 26791 3 30 . 1 1 45 45 SER N N 15 1.14556896 0.010270381 . . 235 SER N 26791 3 31 . 1 1 46 46 GLU N N 15 1.218312558 0.036248562 . . 236 GLU N 26791 3 32 . 1 1 48 48 GLU N N 15 1.162790388 0.014127455 . . 238 GLU N 26791 3 33 . 1 1 50 50 GLU N N 15 1.068147307 0.010794405 . . 240 GLU N 26791 3 34 . 1 1 51 51 PHE N N 15 1.055520263 0.009953181 . . 241 PHE N 26791 3 35 . 1 1 53 53 TYR N N 15 1.042090725 0.011333762 . . 243 TYR N 26791 3 36 . 1 1 54 54 LYS N N 15 1.106548666 0.012501338 . . 244 LYS N 26791 3 37 . 1 1 56 56 ALA N N 15 1.030461377 0.011686385 . . 246 ALA N 26791 3 38 . 1 1 57 57 GLY N N 15 0.9726473 0.013563604 . . 247 GLY N 26791 3 39 . 1 1 58 58 GLY N N 15 1.039458025 0.014417723 . . 248 GLY N 26791 3 40 . 1 1 59 59 LEU N N 15 0.932261114 0.009519178 . . 249 LEU N 26791 3 41 . 1 1 60 60 ILE N N 15 0.946828053 0.012337586 . . 250 ILE N 26791 3 42 . 1 1 61 61 TYR N N 15 0.976161232 0.015445378 . . 251 TYR N 26791 3 43 . 1 1 62 62 TRP N N 15 0.932954125 0.020394717 . . 252 TRP N 26791 3 44 . 1 1 63 63 ILE N N 15 0.86538253 0.020631649 . . 253 ILE N 26791 3 45 . 1 1 64 64 GLY N N 15 0.971586818 0.023519901 . . 254 GLY N 26791 3 46 . 1 1 65 65 LEU N N 15 0.988349801 0.016494417 . . 255 LEU N 26791 3 47 . 1 1 66 66 THR N N 15 1.037915649 0.01865685 . . 256 THR N 26791 3 48 . 1 1 67 67 LYS N N 15 1.091949642 0.029762721 . . 257 LYS N 26791 3 49 . 1 1 69 69 GLY N N 15 1.200542083 0.010881909 . . 259 GLY N 26791 3 50 . 1 1 70 70 MET N N 15 1.303634377 0.010485727 . . 260 MET N 26791 3 51 . 1 1 71 71 GLU N N 15 1.314432495 0.008296291 . . 261 GLU N 26791 3 52 . 1 1 72 72 GLY N N 15 1.320657451 0.009900172 . . 262 GLY N 26791 3 53 . 1 1 74 74 TRP N N 15 1.108998039 0.03080595 . . 264 TRP N 26791 3 54 . 1 1 75 75 SER N N 15 1.04103525 0.023768842 . . 265 SER N 26791 3 55 . 1 1 76 76 TRP N N 15 1.023597212 0.022784584 . . 266 TRP N 26791 3 56 . 1 1 77 77 VAL N N 15 1.064253564 0.017634993 . . 267 VAL N 26791 3 57 . 1 1 78 78 ASP N N 15 1.090086366 0.0077274 . . 268 ASP N 26791 3 58 . 1 1 80 80 THR N N 15 1.185653018 0.014144432 . . 270 THR N 26791 3 59 . 1 1 82 82 PHE N N 15 0.961124999 0.011619312 . . 272 PHE N 26791 3 60 . 1 1 83 83 ASN N N 15 1.041922551 0.018723232 . . 273 ASN N 26791 3 61 . 1 1 84 84 LYS N N 15 1.153754549 0.032288547 . . 274 LYS N 26791 3 62 . 1 1 85 85 VAL N N 15 1.055076417 0.007551925 . . 275 VAL N 26791 3 63 . 1 1 86 86 GLN N N 15 1.024585131 0.011134708 . . 276 GLN N 26791 3 64 . 1 1 87 87 SER N N 15 1.088802497 0.012186155 . . 277 SER N 26791 3 65 . 1 1 88 88 ALA N N 15 1.062447955 0.011013544 . . 278 ALA N 26791 3 66 . 1 1 89 89 ARG N N 15 1.037324356 0.013725242 . . 279 ARG N 26791 3 67 . 1 1 90 90 PHE N N 15 1.009644349 0.015019007 . . 280 PHE N 26791 3 68 . 1 1 91 91 TRP N N 15 1.00965228 0.014597076 . . 281 TRP N 26791 3 69 . 1 1 92 92 ILE N N 15 1.056682924 0.031655298 . . 282 ILE N 26791 3 70 . 1 1 94 94 GLY N N 15 0.987694074 0.021578515 . . 284 GLY N 26791 3 71 . 1 1 95 95 GLU N N 15 0.990784687 0.019047272 . . 285 GLU N 26791 3 72 . 1 1 100 100 GLY N N 15 1.542300599 0.04105902 . . 290 GLY N 26791 3 73 . 1 1 101 101 ASN N N 15 1.151586958 0.031643141 . . 291 ASN N 26791 3 74 . 1 1 102 102 ASN N N 15 1.450260405 0.036285327 . . 292 ASN N 26791 3 75 . 1 1 107 107 ASN N N 15 0.923878729 0.027613562 . . 297 ASN N 26791 3 76 . 1 1 109 109 LYS N N 15 0.981284404 0.02377833 . . 299 LYS N 26791 3 77 . 1 1 110 110 ALA N N 15 0.957227521 0.013111196 . . 300 ALA N 26791 3 78 . 1 1 113 113 LEU N N 15 1.01832934 0.010163365 . . 303 LEU N 26791 3 79 . 1 1 114 114 GLN N N 15 0.967477853 0.012038799 . . 304 GLN N 26791 3 80 . 1 1 115 115 ALA N N 15 0.901697827 0.017676723 . . 305 ALA N 26791 3 81 . 1 1 116 116 TRP N N 15 1.031601227 0.017731494 . . 306 TRP N 26791 3 82 . 1 1 124 124 THR N N 15 0.86306421 0.008273022 . . 314 THR N 26791 3 83 . 1 1 125 125 PHE N N 15 1.006885807 0.017990968 . . 315 PHE N 26791 3 84 . 1 1 126 126 LEU N N 15 0.944089323 0.015559673 . . 316 LEU N 26791 3 85 . 1 1 128 128 ILE N N 15 0.912296908 0.013241724 . . 318 ILE N 26791 3 86 . 1 1 129 129 CYS N N 15 0.994142985 0.016431692 . . 319 CYS N 26791 3 87 . 1 1 130 130 LYS N N 15 0.99591089 0.013721987 . . 320 LYS N 26791 3 88 . 1 1 131 131 ARG N N 15 1.092469885 0.017807926 . . 321 ARG N 26791 3 89 . 1 1 133 133 TYR N N 15 0.940860443 0.017980852 . . 323 TYR N 26791 3 90 . 1 1 134 134 VAL N N 15 1.085421603 0.015693247 . . 324 VAL N 26791 3 stop_ save_ save_holo_LangCRD_R1_600 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode holo_LangCRD_R1_600 _Heteronucl_T1_list.Entry_ID 26791 _Heteronucl_T1_list.ID 4 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $holo_conditions _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 18 '2D 1H-15N HSQC R1' . . . 26791 4 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $SPARKY . . 26791 4 4 $NMRPipe . . 26791 4 5 $relax . . 26791 4 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 8 8 GLY N N 15 1.427170346 0.031507672 . . 198 GLY N 26791 4 2 . 1 1 9 9 TRP N N 15 1.17870268 0.012424393 . . 199 TRP N 26791 4 3 . 1 1 10 10 LYS N N 15 1.068544557 0.02175258 . . 200 LYS N 26791 4 4 . 1 1 11 11 TYR N N 15 1.091338316 0.023383606 . . 201 TYR N 26791 4 5 . 1 1 12 12 PHE N N 15 1.252489559 0.017523924 . . 202 PHE N 26791 4 6 . 1 1 13 13 LYS N N 15 1.223127397 0.018979368 . . 203 LYS N 26791 4 7 . 1 1 14 14 GLY N N 15 1.119143786 0.020200093 . . 204 GLY N 26791 4 8 . 1 1 15 15 ASN N N 15 1.238062463 0.019710286 . . 205 ASN N 26791 4 9 . 1 1 16 16 PHE N N 15 1.197764701 0.02786378 . . 206 PHE N 26791 4 10 . 1 1 17 17 TYR N N 15 1.106556282 0.025298122 . . 207 TYR N 26791 4 11 . 1 1 19 19 PHE N N 15 1.044755862 0.021634604 . . 209 PHE N 26791 4 12 . 1 1 20 20 SER N N 15 1.150690912 0.017906151 . . 210 SER N 26791 4 13 . 1 1 22 22 ILE N N 15 1.148317483 0.019008075 . . 212 ILE N 26791 4 14 . 1 1 24 24 LYS N N 15 1.214960527 0.02030155 . . 214 LYS N 26791 4 15 . 1 1 25 25 THR N N 15 1.221665064 0.027782936 . . 215 THR N 26791 4 16 . 1 1 27 27 TYR N N 15 1.115390703 0.079025559 . . 217 TYR N 26791 4 17 . 1 1 28 28 SER N N 15 1.1810108 0.02537558 . . 218 SER N 26791 4 18 . 1 1 29 29 ALA N N 15 1.152370833 0.020045495 . . 219 ALA N 26791 4 19 . 1 1 30 30 GLU N N 15 1.085664558 0.019756678 . . 220 GLU N 26791 4 20 . 1 1 31 31 GLN N N 15 1.125512347 0.025341599 . . 221 GLN N 26791 4 21 . 1 1 33 33 CYS N N 15 1.107606331 0.019329591 . . 223 CYS N 26791 4 22 . 1 1 34 34 VAL N N 15 1.133041197 0.017375414 . . 224 VAL N 26791 4 23 . 1 1 35 35 SER N N 15 1.176017051 0.020498643 . . 225 SER N 26791 4 24 . 1 1 37 37 ASN N N 15 1.215221041 0.015389153 . . 227 ASN N 26791 4 25 . 1 1 38 38 SER N N 15 1.26417092 0.019122156 . . 228 SER N 26791 4 26 . 1 1 39 39 HIS N N 15 1.214351311 0.019372528 . . 229 HIS N 26791 4 27 . 1 1 40 40 LEU N N 15 1.210063596 0.029307598 . . 230 LEU N 26791 4 28 . 1 1 42 42 SER N N 15 1.115452126 0.027664444 . . 232 SER N 26791 4 29 . 1 1 44 44 THR N N 15 1.093904899 0.025441326 . . 234 THR N 26791 4 30 . 1 1 45 45 SER N N 15 1.276466697 0.016859791 . . 235 SER N 26791 4 31 . 1 1 46 46 GLU N N 15 1.25859018 0.044675418 . . 236 GLU N 26791 4 32 . 1 1 47 47 SER N N 15 1.305881366 0.022871618 . . 237 SER N 26791 4 33 . 1 1 48 48 GLU N N 15 1.327833192 0.022575714 . . 238 GLU N 26791 4 34 . 1 1 50 50 GLU N N 15 1.270492022 0.018133687 . . 240 GLU N 26791 4 35 . 1 1 51 51 PHE N N 15 1.250363796 0.020968157 . . 241 PHE N 26791 4 36 . 1 1 53 53 TYR N N 15 1.260927499 0.017840249 . . 243 TYR N 26791 4 37 . 1 1 54 54 LYS N N 15 1.288829204 0.017688147 . . 244 LYS N 26791 4 38 . 1 1 55 55 THR N N 15 1.229612359 0.02228365 . . 245 THR N 26791 4 39 . 1 1 57 57 GLY N N 15 1.19544912 0.017963701 . . 247 GLY N 26791 4 40 . 1 1 58 58 GLY N N 15 1.216156163 0.018989523 . . 248 GLY N 26791 4 41 . 1 1 60 60 ILE N N 15 1.155188896 0.020857963 . . 250 ILE N 26791 4 42 . 1 1 61 61 TYR N N 15 1.173888442 0.022407196 . . 251 TYR N 26791 4 43 . 1 1 62 62 TRP N N 15 1.186631162 0.029994456 . . 252 TRP N 26791 4 44 . 1 1 63 63 ILE N N 15 1.083105326 0.028669782 . . 253 ILE N 26791 4 45 . 1 1 64 64 GLY N N 15 1.203023639 0.033349243 . . 254 GLY N 26791 4 46 . 1 1 65 65 LEU N N 15 1.184433074 0.023787036 . . 255 LEU N 26791 4 47 . 1 1 66 66 THR N N 15 1.255928965 0.021993684 . . 256 THR N 26791 4 48 . 1 1 67 67 LYS N N 15 1.25837502 0.038635927 . . 257 LYS N 26791 4 49 . 1 1 68 68 ALA N N 15 1.439589789 0.025402778 . . 258 ALA N 26791 4 50 . 1 1 69 69 GLY N N 15 1.357187583 0.014345969 . . 259 GLY N 26791 4 51 . 1 1 70 70 MET N N 15 1.395155176 0.016959915 . . 260 MET N 26791 4 52 . 1 1 71 71 GLU N N 15 1.420040727 0.016218916 . . 261 GLU N 26791 4 53 . 1 1 72 72 GLY N N 15 1.465843234 0.024291232 . . 262 GLY N 26791 4 54 . 1 1 74 74 TRP N N 15 1.195478785 0.020412576 . . 264 TRP N 26791 4 55 . 1 1 76 76 TRP N N 15 1.191542547 0.027498644 . . 266 TRP N 26791 4 56 . 1 1 77 77 VAL N N 15 1.274683322 0.025347613 . . 267 VAL N 26791 4 57 . 1 1 78 78 ASP N N 15 1.257688625 0.018995333 . . 268 ASP N 26791 4 58 . 1 1 80 80 THR N N 15 1.278640503 0.022140926 . . 270 THR N 26791 4 59 . 1 1 82 82 PHE N N 15 1.154063478 0.018359486 . . 272 PHE N 26791 4 60 . 1 1 83 83 ASN N N 15 1.217235397 0.021651589 . . 273 ASN N 26791 4 61 . 1 1 84 84 LYS N N 15 1.193383182 0.058255851 . . 274 LYS N 26791 4 62 . 1 1 85 85 VAL N N 15 1.19372912 0.012510225 . . 275 VAL N 26791 4 63 . 1 1 86 86 GLN N N 15 1.226317516 0.01306156 . . 276 GLN N 26791 4 64 . 1 1 87 87 SER N N 15 1.266033559 0.018081504 . . 277 SER N 26791 4 65 . 1 1 88 88 ALA N N 15 1.2594895 0.013864934 . . 278 ALA N 26791 4 66 . 1 1 89 89 ARG N N 15 1.217708841 0.014398256 . . 279 ARG N 26791 4 67 . 1 1 90 90 PHE N N 15 1.205532731 0.017689607 . . 280 PHE N 26791 4 68 . 1 1 91 91 TRP N N 15 1.196660726 0.01267097 . . 281 TRP N 26791 4 69 . 1 1 94 94 GLY N N 15 1.178278556 0.02077973 . . 284 GLY N 26791 4 70 . 1 1 95 95 GLU N N 15 1.192864777 0.02077698 . . 285 GLU N 26791 4 71 . 1 1 107 107 ASN N N 15 1.092343209 0.021763901 . . 297 ASN N 26791 4 72 . 1 1 109 109 LYS N N 15 1.199845392 0.024251567 . . 299 LYS N 26791 4 73 . 1 1 110 110 ALA N N 15 1.194539801 0.016261995 . . 300 ALA N 26791 4 74 . 1 1 113 113 LEU N N 15 1.198815061 0.01453402 . . 303 LEU N 26791 4 75 . 1 1 114 114 GLN N N 15 1.154313633 0.016412524 . . 304 GLN N 26791 4 76 . 1 1 115 115 ALA N N 15 1.101533848 0.024698741 . . 305 ALA N 26791 4 77 . 1 1 116 116 TRP N N 15 1.245090082 0.025850119 . . 306 TRP N 26791 4 78 . 1 1 123 123 LYS N N 15 1.244606909 0.019627988 . . 313 LYS N 26791 4 79 . 1 1 124 124 THR N N 15 1.065127312 0.0168659 . . 314 THR N 26791 4 80 . 1 1 125 125 PHE N N 15 1.326759875 0.006749452 . . 315 PHE N 26791 4 81 . 1 1 128 128 ILE N N 15 1.102033963 0.028633604 . . 318 ILE N 26791 4 82 . 1 1 129 129 CYS N N 15 1.174487405 0.031985252 . . 319 CYS N 26791 4 83 . 1 1 130 130 LYS N N 15 1.196702376 0.022616481 . . 320 LYS N 26791 4 84 . 1 1 131 131 ARG N N 15 1.240372261 0.022280143 . . 321 ARG N 26791 4 85 . 1 1 133 133 TYR N N 15 1.15567896 0.019704636 . . 323 TYR N 26791 4 86 . 1 1 134 134 VAL N N 15 1.251197897 0.023580912 . . 324 VAL N 26791 4 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_apo_LangCRD_R2_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode apo_LangCRD_R2_600 _Heteronucl_T2_list.Entry_ID 26791 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 3 _Heteronucl_T2_list.Sample_condition_list_label $apo_conditions _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 19 '2D 1H-15N HSQC R2' . . . 26791 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $SPARKY . . 26791 1 4 $NMRPipe . . 26791 1 5 $relax . . 26791 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 8 8 GLY N N 15 12.37464104 0.079904735 . . . . 198 GLY N 26791 1 2 . 1 1 9 9 TRP N N 15 14.7185623 0.05346647 . . . . 199 TRP N 26791 1 3 . 1 1 10 10 LYS N N 15 17.23873553 0.125750149 . . . . 200 LYS N 26791 1 4 . 1 1 11 11 TYR N N 15 15.56395577 0.108050235 . . . . 201 TYR N 26791 1 5 . 1 1 12 12 PHE N N 15 15.99241554 0.085612633 . . . . 202 PHE N 26791 1 6 . 1 1 13 13 LYS N N 15 16.34458894 0.09316477 . . . . 203 LYS N 26791 1 7 . 1 1 14 14 GLY N N 15 14.66890021 0.117532128 . . . . 204 GLY N 26791 1 8 . 1 1 16 16 PHE N N 15 16.63128086 0.133386719 . . . . 206 PHE N 26791 1 9 . 1 1 17 17 TYR N N 15 17.11708394 0.142921993 . . . . 207 TYR N 26791 1 10 . 1 1 18 18 TYR N N 15 16.71929943 0.135094534 . . . . 208 TYR N 26791 1 11 . 1 1 20 20 SER N N 15 17.5753495 0.112343091 . . . . 210 SER N 26791 1 12 . 1 1 22 22 ILE N N 15 16.45684271 0.101998144 . . . . 212 ILE N 26791 1 13 . 1 1 24 24 LYS N N 15 16.11419202 0.095298074 . . . . 214 LYS N 26791 1 14 . 1 1 25 25 THR N N 15 16.29699322 0.091483975 . . . . 215 THR N 26791 1 15 . 1 1 27 27 TYR N N 15 17.9411082 0.185116174 . . . . 217 TYR N 26791 1 16 . 1 1 28 28 SER N N 15 18.27539833 0.122730577 . . . . 218 SER N 26791 1 17 . 1 1 29 29 ALA N N 15 19.31795671 0.119925619 . . . . 219 ALA N 26791 1 18 . 1 1 31 31 GLN N N 15 18.5305285 0.094741604 . . . . 221 GLN N 26791 1 19 . 1 1 33 33 CYS N N 15 19.7261005 0.110341485 . . . . 223 CYS N 26791 1 20 . 1 1 34 34 VAL N N 15 19.18435173 0.112815375 . . . . 224 VAL N 26791 1 21 . 1 1 35 35 SER N N 15 19.00090701 0.093775059 . . . . 225 SER N 26791 1 22 . 1 1 36 36 ARG N N 15 18.78398338 0.131639969 . . . . 226 ARG N 26791 1 23 . 1 1 37 37 ASN N N 15 15.9868156 0.074523677 . . . . 227 ASN N 26791 1 24 . 1 1 38 38 SER N N 15 16.83188458 0.085126519 . . . . 228 SER N 26791 1 25 . 1 1 39 39 HIS N N 15 15.075142 0.078780311 . . . . 229 HIS N 26791 1 26 . 1 1 40 40 LEU N N 15 17.04238684 0.142918409 . . . . 230 LEU N 26791 1 27 . 1 1 42 42 SER N N 15 19.6494194 0.212512507 . . . . 232 SER N 26791 1 28 . 1 1 44 44 THR N N 15 17.00059876 0.131931693 . . . . 234 THR N 26791 1 29 . 1 1 45 45 SER N N 15 16.31306863 0.067214638 . . . . 235 SER N 26791 1 30 . 1 1 46 46 GLU N N 15 17.6140685 0.25847998 . . . . 236 GLU N 26791 1 31 . 1 1 48 48 GLU N N 15 17.4909223 0.107966498 . . . . 238 GLU N 26791 1 32 . 1 1 50 50 GLU N N 15 17.32736305 0.092207003 . . . . 240 GLU N 26791 1 33 . 1 1 51 51 PHE N N 15 17.35227324 0.106237107 . . . . 241 PHE N 26791 1 34 . 1 1 53 53 TYR N N 15 17.74748157 0.090188041 . . . . 243 TYR N 26791 1 35 . 1 1 54 54 LYS N N 15 17.38459321 0.098512455 . . . . 244 LYS N 26791 1 36 . 1 1 56 56 ALA N N 15 16.67763119 0.100086544 . . . . 246 ALA N 26791 1 37 . 1 1 57 57 GLY N N 15 14.05751009 0.119204493 . . . . 247 GLY N 26791 1 38 . 1 1 58 58 GLY N N 15 15.47255019 0.097975667 . . . . 248 GLY N 26791 1 39 . 1 1 59 59 LEU N N 15 18.42743693 0.111985644 . . . . 249 LEU N 26791 1 40 . 1 1 60 60 ILE N N 15 16.63465777 0.112911006 . . . . 250 ILE N 26791 1 41 . 1 1 61 61 TYR N N 15 16.55698355 0.124873231 . . . . 251 TYR N 26791 1 42 . 1 1 62 62 TRP N N 15 15.93424985 0.181391064 . . . . 252 TRP N 26791 1 43 . 1 1 63 63 ILE N N 15 18.33408433 0.2060708 . . . . 253 ILE N 26791 1 44 . 1 1 64 64 GLY N N 15 16.45584289 0.202605263 . . . . 254 GLY N 26791 1 45 . 1 1 65 65 LEU N N 15 15.19254062 0.121335174 . . . . 255 LEU N 26791 1 46 . 1 1 66 66 THR N N 15 17.41310616 0.157870477 . . . . 256 THR N 26791 1 47 . 1 1 67 67 LYS N N 15 19.137512 0.169981888 . . . . 257 LYS N 26791 1 48 . 1 1 69 69 GLY N N 15 7.057502631 0.0245125 . . . . 259 GLY N 26791 1 49 . 1 1 70 70 MET N N 15 11.44743057 0.036944104 . . . . 260 MET N 26791 1 50 . 1 1 71 71 GLU N N 15 10.72246115 0.025932859 . . . . 261 GLU N 26791 1 51 . 1 1 72 72 GLY N N 15 9.432981353 0.030892207 . . . . 262 GLY N 26791 1 52 . 1 1 74 74 TRP N N 15 11.36397144 0.155179211 . . . . 264 TRP N 26791 1 53 . 1 1 76 76 TRP N N 15 17.77099595 0.158335207 . . . . 266 TRP N 26791 1 54 . 1 1 77 77 VAL N N 15 17.297151 0.126181427 . . . . 267 VAL N 26791 1 55 . 1 1 78 78 ASP N N 15 11.70317621 0.026866103 . . . . 268 ASP N 26791 1 56 . 1 1 80 80 THR N N 15 16.87316892 0.085067576 . . . . 270 THR N 26791 1 57 . 1 1 82 82 PHE N N 15 15.47052422 0.07491711 . . . . 272 PHE N 26791 1 58 . 1 1 83 83 ASN N N 15 15.43216626 0.117494455 . . . . 273 ASN N 26791 1 59 . 1 1 84 84 LYS N N 15 16.7437748 0.226866914 . . . . 274 LYS N 26791 1 60 . 1 1 85 85 VAL N N 15 14.74542423 0.054349132 . . . . 275 VAL N 26791 1 61 . 1 1 86 86 GLN N N 15 15.66296027 0.081383248 . . . . 276 GLN N 26791 1 62 . 1 1 87 87 SER N N 15 14.45594271 0.084877996 . . . . 277 SER N 26791 1 63 . 1 1 88 88 ALA N N 15 16.44786059 0.085618742 . . . . 278 ALA N 26791 1 64 . 1 1 89 89 ARG N N 15 14.44316388 0.0855897 . . . . 279 ARG N 26791 1 65 . 1 1 90 90 PHE N N 15 15.83160197 0.116751468 . . . . 280 PHE N 26791 1 66 . 1 1 91 91 TRP N N 15 16.77183334 0.099616149 . . . . 281 TRP N 26791 1 67 . 1 1 92 92 ILE N N 15 16.94203805 0.266028883 . . . . 282 ILE N 26791 1 68 . 1 1 95 95 GLU N N 15 19.7824843 0.164365946 . . . . 285 GLU N 26791 1 69 . 1 1 100 100 GLY N N 15 9.994846168 0.035562064 . . . . 290 GLY N 26791 1 70 . 1 1 101 101 ASN N N 15 15.31584032 0.073215502 . . . . 291 ASN N 26791 1 71 . 1 1 102 102 ASN N N 15 8.836708453 0.077535812 . . . . 292 ASN N 26791 1 72 . 1 1 107 107 ASN N N 15 18.09834796 0.192588445 . . . . 297 ASN N 26791 1 73 . 1 1 109 109 LYS N N 15 16.97584108 0.186558817 . . . . 299 LYS N 26791 1 74 . 1 1 110 110 ALA N N 15 13.13653662 0.076254941 . . . . 300 ALA N 26791 1 75 . 1 1 113 113 LEU N N 15 8.151122826 0.019755794 . . . . 303 LEU N 26791 1 76 . 1 1 114 114 GLN N N 15 15.33127914 0.104194402 . . . . 304 GLN N 26791 1 77 . 1 1 115 115 ALA N N 15 14.50281508 0.125523468 . . . . 305 ALA N 26791 1 78 . 1 1 116 116 TRP N N 15 16.71863163 0.130850434 . . . . 306 TRP N 26791 1 79 . 1 1 124 124 THR N N 15 14.96861457 0.079613463 . . . . 314 THR N 26791 1 80 . 1 1 125 125 PHE N N 15 15.86022645 0.096887158 . . . . 315 PHE N 26791 1 81 . 1 1 126 126 LEU N N 15 16.10983225 0.159003127 . . . . 316 LEU N 26791 1 82 . 1 1 128 128 ILE N N 15 18.03219989 0.213510351 . . . . 318 ILE N 26791 1 83 . 1 1 129 129 CYS N N 15 17.05694212 0.133588436 . . . . 319 CYS N 26791 1 84 . 1 1 130 130 LYS N N 15 17.26026873 0.11784239 . . . . 320 LYS N 26791 1 85 . 1 1 131 131 ARG N N 15 17.08336961 0.110248333 . . . . 321 ARG N 26791 1 86 . 1 1 133 133 TYR N N 15 16.60584278 0.126280819 . . . . 323 TYR N 26791 1 87 . 1 1 134 134 VAL N N 15 13.82153118 0.079344935 . . . . 324 VAL N 26791 1 stop_ save_ save_holo_LangCRD_R2_750 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode holo_LangCRD_R2_750 _Heteronucl_T2_list.Entry_ID 26791 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $holo_conditions _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 19 '2D 1H-15N HSQC R2' . . . 26791 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $SPARKY . . 26791 2 4 $NMRPipe . . 26791 2 5 $relax . . 26791 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 8 8 GLY N N 15 9.039592309 0.347676764 . . . . 198 GLY N 26791 2 2 . 1 1 9 9 TRP N N 15 12.74672346 0.215139049 . . . . 199 TRP N 26791 2 3 . 1 1 10 10 LYS N N 15 13.79312467 0.428380606 . . . . 200 LYS N 26791 2 4 . 1 1 11 11 TYR N N 15 11.9927638 0.323092324 . . . . 201 TYR N 26791 2 5 . 1 1 12 12 PHE N N 15 13.60781421 0.353986396 . . . . 202 PHE N 26791 2 6 . 1 1 13 13 LYS N N 15 13.72110302 0.361417736 . . . . 203 LYS N 26791 2 7 . 1 1 14 14 GLY N N 15 13.22396394 0.384237605 . . . . 204 GLY N 26791 2 8 . 1 1 15 15 ASN N N 15 14.60929005 0.250219556 . . . . 205 ASN N 26791 2 9 . 1 1 16 16 PHE N N 15 13.83358158 0.416212355 . . . . 206 PHE N 26791 2 10 . 1 1 17 17 TYR N N 15 14.71691842 0.571779881 . . . . 207 TYR N 26791 2 11 . 1 1 18 18 TYR N N 15 14.03296348 0.485248666 . . . . 208 TYR N 26791 2 12 . 1 1 19 19 PHE N N 15 13.92899423 0.473686017 . . . . 209 PHE N 26791 2 13 . 1 1 20 20 SER N N 15 14.96032474 0.37015934 . . . . 210 SER N 26791 2 14 . 1 1 22 22 ILE N N 15 13.88898485 0.303211554 . . . . 212 ILE N 26791 2 15 . 1 1 24 24 LYS N N 15 13.6205769 0.308464627 . . . . 214 LYS N 26791 2 16 . 1 1 25 25 THR N N 15 14.13545714 0.350449648 . . . . 215 THR N 26791 2 17 . 1 1 26 26 TRP N N 15 9.476952902 0.252887229 . . . . 216 TRP N 26791 2 18 . 1 1 27 27 TYR N N 15 18.91773415 1.510155995 . . . . 217 TYR N 26791 2 19 . 1 1 28 28 SER N N 15 15.77883859 0.397767773 . . . . 218 SER N 26791 2 20 . 1 1 29 29 ALA N N 15 17.3162768 0.465028608 . . . . 219 ALA N 26791 2 21 . 1 1 30 30 GLU N N 15 17.25482384 0.369646293 . . . . 220 GLU N 26791 2 22 . 1 1 31 31 GLN N N 15 17.01797586 0.412940379 . . . . 221 GLN N 26791 2 23 . 1 1 32 32 PHE N N 15 11.62431459 0.176508555 . . . . 222 PHE N 26791 2 24 . 1 1 33 33 CYS N N 15 16.88747966 0.375532875 . . . . 223 CYS N 26791 2 25 . 1 1 34 34 VAL N N 15 16.33897075 0.438126469 . . . . 224 VAL N 26791 2 26 . 1 1 35 35 SER N N 15 16.68501942 0.393138192 . . . . 225 SER N 26791 2 27 . 1 1 36 36 ARG N N 15 15.76596809 0.370274101 . . . . 226 ARG N 26791 2 28 . 1 1 37 37 ASN N N 15 11.63943742 0.197519056 . . . . 227 ASN N 26791 2 29 . 1 1 38 38 SER N N 15 13.82371242 0.279271287 . . . . 228 SER N 26791 2 30 . 1 1 39 39 HIS N N 15 13.24307374 0.304301894 . . . . 229 HIS N 26791 2 31 . 1 1 40 40 LEU N N 15 13.54515714 0.413290886 . . . . 230 LEU N 26791 2 32 . 1 1 42 42 SER N N 15 16.88933589 0.603060751 . . . . 232 SER N 26791 2 33 . 1 1 44 44 THR N N 15 14.15681713 0.41348334 . . . . 234 THR N 26791 2 34 . 1 1 45 45 SER N N 15 13.7305617 0.203566105 . . . . 235 SER N 26791 2 35 . 1 1 46 46 GLU N N 15 14.25843569 0.57150403 . . . . 236 GLU N 26791 2 36 . 1 1 47 47 SER N N 15 13.92515935 0.306688206 . . . . 237 SER N 26791 2 37 . 1 1 48 48 GLU N N 15 14.23159252 0.303536653 . . . . 238 GLU N 26791 2 38 . 1 1 50 50 GLU N N 15 14.48250915 0.272717906 . . . . 240 GLU N 26791 2 39 . 1 1 51 51 PHE N N 15 14.12571687 0.245493939 . . . . 241 PHE N 26791 2 40 . 1 1 53 53 TYR N N 15 15.51476142 0.315719087 . . . . 243 TYR N 26791 2 41 . 1 1 54 54 LYS N N 15 14.22496584 0.282981698 . . . . 244 LYS N 26791 2 42 . 1 1 55 55 THR N N 15 14.28891173 0.263638115 . . . . 245 THR N 26791 2 43 . 1 1 56 56 ALA N N 15 14.52220979 0.247955836 . . . . 246 ALA N 26791 2 44 . 1 1 57 57 GLY N N 15 12.76689024 0.280190119 . . . . 247 GLY N 26791 2 45 . 1 1 58 58 GLY N N 15 13.48891786 0.3177742 . . . . 248 GLY N 26791 2 46 . 1 1 59 59 LEU N N 15 16.07802047 0.269479808 . . . . 249 LEU N 26791 2 47 . 1 1 60 60 ILE N N 15 14.89758633 0.314306523 . . . . 250 ILE N 26791 2 48 . 1 1 61 61 TYR N N 15 14.06313953 0.392912907 . . . . 251 TYR N 26791 2 49 . 1 1 62 62 TRP N N 15 13.67936707 0.39112927 . . . . 252 TRP N 26791 2 50 . 1 1 63 63 ILE N N 15 15.3920963 0.50327898 . . . . 253 ILE N 26791 2 51 . 1 1 64 64 GLY N N 15 14.93731396 0.535287639 . . . . 254 GLY N 26791 2 52 . 1 1 65 65 LEU N N 15 13.03431177 0.379163149 . . . . 255 LEU N 26791 2 53 . 1 1 66 66 THR N N 15 14.90756761 0.367902189 . . . . 256 THR N 26791 2 54 . 1 1 67 67 LYS N N 15 21.30596742 0.863134833 . . . . 257 LYS N 26791 2 55 . 1 1 68 68 ALA N N 15 11.72557322 0.259997178 . . . . 258 ALA N 26791 2 56 . 1 1 69 69 GLY N N 15 7.405944636 0.102416181 . . . . 259 GLY N 26791 2 57 . 1 1 70 70 MET N N 15 9.344602523 0.150280145 . . . . 260 MET N 26791 2 58 . 1 1 71 71 GLU N N 15 9.649242769 0.121766683 . . . . 261 GLU N 26791 2 59 . 1 1 72 72 GLY N N 15 9.106887073 0.119985063 . . . . 262 GLY N 26791 2 60 . 1 1 74 74 TRP N N 15 10.08129235 0.176251233 . . . . 264 TRP N 26791 2 61 . 1 1 76 76 TRP N N 15 15.74482696 0.459602923 . . . . 266 TRP N 26791 2 62 . 1 1 77 77 VAL N N 15 14.76053468 0.430094368 . . . . 267 VAL N 26791 2 63 . 1 1 78 78 ASP N N 15 15.14702249 0.315280253 . . . . 268 ASP N 26791 2 64 . 1 1 80 80 THR N N 15 11.2393165 0.223484919 . . . . 270 THR N 26791 2 65 . 1 1 82 82 PHE N N 15 13.05152279 0.275255223 . . . . 272 PHE N 26791 2 66 . 1 1 83 83 ASN N N 15 13.36501757 0.330500984 . . . . 273 ASN N 26791 2 67 . 1 1 84 84 LYS N N 15 13.35808685 0.722039052 . . . . 274 LYS N 26791 2 68 . 1 1 85 85 VAL N N 15 12.86995482 0.170581748 . . . . 275 VAL N 26791 2 69 . 1 1 86 86 GLN N N 15 13.67197428 0.226041555 . . . . 276 GLN N 26791 2 70 . 1 1 87 87 SER N N 15 12.2669242 0.212080782 . . . . 277 SER N 26791 2 71 . 1 1 88 88 ALA N N 15 14.41775081 0.228331928 . . . . 278 ALA N 26791 2 72 . 1 1 89 89 ARG N N 15 12.31974891 0.216895278 . . . . 279 ARG N 26791 2 73 . 1 1 90 90 PHE N N 15 13.5435528 0.291603429 . . . . 280 PHE N 26791 2 74 . 1 1 91 91 TRP N N 15 14.77832769 0.308644539 . . . . 281 TRP N 26791 2 75 . 1 1 92 92 ILE N N 15 14.16076678 0.546999925 . . . . 282 ILE N 26791 2 76 . 1 1 94 94 GLY N N 15 13.48585485 0.361891119 . . . . 284 GLY N 26791 2 77 . 1 1 95 95 GLU N N 15 14.95819618 0.395869156 . . . . 285 GLU N 26791 2 78 . 1 1 107 107 ASN N N 15 16.13802424 0.46298207 . . . . 297 ASN N 26791 2 79 . 1 1 109 109 LYS N N 15 14.23734169 0.477068202 . . . . 299 LYS N 26791 2 80 . 1 1 110 110 ALA N N 15 10.70448285 0.203877803 . . . . 300 ALA N 26791 2 81 . 1 1 113 113 LEU N N 15 12.37838656 0.18743972 . . . . 303 LEU N 26791 2 82 . 1 1 114 114 GLN N N 15 12.65405549 0.246888881 . . . . 304 GLN N 26791 2 83 . 1 1 115 115 ALA N N 15 12.6105469 0.370360316 . . . . 305 ALA N 26791 2 84 . 1 1 116 116 TRP N N 15 14.70568844 0.395854882 . . . . 306 TRP N 26791 2 85 . 1 1 124 124 THR N N 15 13.54425926 0.245899983 . . . . 314 THR N 26791 2 86 . 1 1 125 125 PHE N N 15 2.129173619 0.081561728 . . . . 315 PHE N 26791 2 87 . 1 1 128 128 ILE N N 15 15.93978585 0.406680404 . . . . 318 ILE N 26791 2 88 . 1 1 129 129 CYS N N 15 14.34925219 0.485019132 . . . . 319 CYS N 26791 2 89 . 1 1 130 130 LYS N N 15 13.853286 0.374346915 . . . . 320 LYS N 26791 2 90 . 1 1 131 131 ARG N N 15 14.33809079 0.469451178 . . . . 321 ARG N 26791 2 91 . 1 1 134 134 VAL N N 15 10.4558545 0.344369451 . . . . 324 VAL N 26791 2 stop_ save_ save_holo_LangCRD_R2_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode holo_LangCRD_R2_600 _Heteronucl_T2_list.Entry_ID 26791 _Heteronucl_T2_list.ID 3 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $holo_conditions _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 19 '2D 1H-15N HSQC R2' . . . 26791 3 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $SPARKY . . 26791 3 4 $NMRPipe . . 26791 3 5 $relax . . 26791 3 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 8 8 GLY N N 15 11.10311913 0.088606885 . . . . 198 GLY N 26791 3 2 . 1 1 9 9 TRP N N 15 13.45841345 0.057767284 . . . . 199 TRP N 26791 3 3 . 1 1 10 10 LYS N N 15 15.39255505 0.125393335 . . . . 200 LYS N 26791 3 4 . 1 1 11 11 TYR N N 15 14.21763494 0.134879698 . . . . 201 TYR N 26791 3 5 . 1 1 12 12 PHE N N 15 14.76176552 0.082102617 . . . . 202 PHE N 26791 3 6 . 1 1 13 13 LYS N N 15 15.18168 0.088285409 . . . . 203 LYS N 26791 3 7 . 1 1 14 14 GLY N N 15 13.39744175 0.123436706 . . . . 204 GLY N 26791 3 8 . 1 1 15 15 ASN N N 15 15.85903322 0.1003726 . . . . 205 ASN N 26791 3 9 . 1 1 16 16 PHE N N 15 15.29273946 0.150408017 . . . . 206 PHE N 26791 3 10 . 1 1 17 17 TYR N N 15 15.3789562 0.14487401 . . . . 207 TYR N 26791 3 11 . 1 1 19 19 PHE N N 15 15.8079157 0.136022161 . . . . 209 PHE N 26791 3 12 . 1 1 20 20 SER N N 15 16.23172668 0.105883216 . . . . 210 SER N 26791 3 13 . 1 1 22 22 ILE N N 15 14.53491647 0.098268599 . . . . 212 ILE N 26791 3 14 . 1 1 24 24 LYS N N 15 14.56586807 0.09151284 . . . . 214 LYS N 26791 3 15 . 1 1 25 25 THR N N 15 15.07323496 0.133516477 . . . . 215 THR N 26791 3 16 . 1 1 27 27 TYR N N 15 13.11665117 0.320321457 . . . . 217 TYR N 26791 3 17 . 1 1 28 28 SER N N 15 16.94578269 0.15522958 . . . . 218 SER N 26791 3 18 . 1 1 29 29 ALA N N 15 18.011049 0.135050567 . . . . 219 ALA N 26791 3 19 . 1 1 30 30 GLU N N 15 8.864181923 0.056447686 . . . . 220 GLU N 26791 3 20 . 1 1 31 31 GLN N N 15 17.4325291 0.163168496 . . . . 221 GLN N 26791 3 21 . 1 1 33 33 CYS N N 15 18.12722868 0.137996697 . . . . 223 CYS N 26791 3 22 . 1 1 34 34 VAL N N 15 17.55495661 0.120120623 . . . . 224 VAL N 26791 3 23 . 1 1 35 35 SER N N 15 16.90590518 0.113519694 . . . . 225 SER N 26791 3 24 . 1 1 37 37 ASN N N 15 14.7528429 0.079186599 . . . . 227 ASN N 26791 3 25 . 1 1 38 38 SER N N 15 15.55823804 0.091865272 . . . . 228 SER N 26791 3 26 . 1 1 39 39 HIS N N 15 13.91271373 0.085748673 . . . . 229 HIS N 26791 3 27 . 1 1 40 40 LEU N N 15 15.39837002 0.147422925 . . . . 230 LEU N 26791 3 28 . 1 1 42 42 SER N N 15 18.57748046 0.188639898 . . . . 232 SER N 26791 3 29 . 1 1 44 44 THR N N 15 15.61917194 0.152503542 . . . . 234 THR N 26791 3 30 . 1 1 45 45 SER N N 15 14.68588325 0.075820181 . . . . 235 SER N 26791 3 31 . 1 1 46 46 GLU N N 15 15.89847169 0.20900082 . . . . 236 GLU N 26791 3 32 . 1 1 47 47 SER N N 15 15.57966952 0.101725324 . . . . 237 SER N 26791 3 33 . 1 1 48 48 GLU N N 15 15.80696891 0.096700453 . . . . 238 GLU N 26791 3 34 . 1 1 50 50 GLU N N 15 15.9021784 0.091227633 . . . . 240 GLU N 26791 3 35 . 1 1 51 51 PHE N N 15 15.58925283 0.110858196 . . . . 241 PHE N 26791 3 36 . 1 1 53 53 TYR N N 15 16.05773316 0.09860859 . . . . 243 TYR N 26791 3 37 . 1 1 54 54 LYS N N 15 15.46886774 0.087454513 . . . . 244 LYS N 26791 3 38 . 1 1 55 55 THR N N 15 15.61890354 0.119082304 . . . . 245 THR N 26791 3 39 . 1 1 57 57 GLY N N 15 13.00336144 0.099668284 . . . . 247 GLY N 26791 3 40 . 1 1 58 58 GLY N N 15 14.04725256 0.096651877 . . . . 248 GLY N 26791 3 41 . 1 1 60 60 ILE N N 15 15.27771696 0.105992289 . . . . 250 ILE N 26791 3 42 . 1 1 61 61 TYR N N 15 15.62430519 0.128939228 . . . . 251 TYR N 26791 3 43 . 1 1 62 62 TRP N N 15 14.90395741 0.151871839 . . . . 252 TRP N 26791 3 44 . 1 1 63 63 ILE N N 15 16.78067765 0.180306474 . . . . 253 ILE N 26791 3 45 . 1 1 64 64 GLY N N 15 15.07735601 0.175846654 . . . . 254 GLY N 26791 3 46 . 1 1 65 65 LEU N N 15 14.31578676 0.114206485 . . . . 255 LEU N 26791 3 47 . 1 1 66 66 THR N N 15 15.9333638 0.105872667 . . . . 256 THR N 26791 3 48 . 1 1 67 67 LYS N N 15 19.94313897 0.268012497 . . . . 257 LYS N 26791 3 49 . 1 1 68 68 ALA N N 15 15.25159739 0.107437625 . . . . 258 ALA N 26791 3 50 . 1 1 69 69 GLY N N 15 8.068832599 0.03372222 . . . . 259 GLY N 26791 3 51 . 1 1 70 70 MET N N 15 10.68828579 0.047154867 . . . . 260 MET N 26791 3 52 . 1 1 71 71 GLU N N 15 10.75548284 0.040551867 . . . . 261 GLU N 26791 3 53 . 1 1 72 72 GLY N N 15 9.946418097 0.059000976 . . . . 262 GLY N 26791 3 54 . 1 1 74 74 TRP N N 15 12.65470804 0.083496265 . . . . 264 TRP N 26791 3 55 . 1 1 76 76 TRP N N 15 16.85588614 0.149009973 . . . . 266 TRP N 26791 3 56 . 1 1 77 77 VAL N N 15 15.95445141 0.129219097 . . . . 267 VAL N 26791 3 57 . 1 1 78 78 ASP N N 15 16.28415871 0.092564784 . . . . 268 ASP N 26791 3 58 . 1 1 80 80 THR N N 15 17.29853011 0.122459789 . . . . 270 THR N 26791 3 59 . 1 1 82 82 PHE N N 15 14.35549961 0.087228002 . . . . 272 PHE N 26791 3 60 . 1 1 83 83 ASN N N 15 14.18213038 0.091058224 . . . . 273 ASN N 26791 3 61 . 1 1 84 84 LYS N N 15 14.75736116 0.254985038 . . . . 274 LYS N 26791 3 62 . 1 1 85 85 VAL N N 15 13.48341838 0.05643607 . . . . 275 VAL N 26791 3 63 . 1 1 86 86 GLN N N 15 14.49368976 0.059834662 . . . . 276 GLN N 26791 3 64 . 1 1 87 87 SER N N 15 13.13341133 0.076601642 . . . . 277 SER N 26791 3 65 . 1 1 88 88 ALA N N 15 14.99717871 0.068668866 . . . . 278 ALA N 26791 3 66 . 1 1 89 89 ARG N N 15 13.33725274 0.061246633 . . . . 279 ARG N 26791 3 67 . 1 1 90 90 PHE N N 15 14.52188648 0.089684821 . . . . 280 PHE N 26791 3 68 . 1 1 91 91 TRP N N 15 15.56587354 0.073535993 . . . . 281 TRP N 26791 3 69 . 1 1 94 94 GLY N N 15 13.98271645 0.107496721 . . . . 284 GLY N 26791 3 70 . 1 1 95 95 GLU N N 15 16.2974156 0.128052054 . . . . 285 GLU N 26791 3 71 . 1 1 107 107 ASN N N 15 16.95328617 0.133630512 . . . . 297 ASN N 26791 3 72 . 1 1 109 109 LYS N N 15 15.81631725 0.137637009 . . . . 299 LYS N 26791 3 73 . 1 1 110 110 ALA N N 15 11.31189099 0.054869874 . . . . 300 ALA N 26791 3 74 . 1 1 113 113 LEU N N 15 14.34751134 0.06655089 . . . . 303 LEU N 26791 3 75 . 1 1 114 114 GLN N N 15 13.77110586 0.086181411 . . . . 304 GLN N 26791 3 76 . 1 1 115 115 ALA N N 15 13.72349118 0.126389195 . . . . 305 ALA N 26791 3 77 . 1 1 116 116 TRP N N 15 15.2959482 0.149452175 . . . . 306 TRP N 26791 3 78 . 1 1 123 123 LYS N N 15 15.48989599 0.101369779 . . . . 313 LYS N 26791 3 79 . 1 1 124 124 THR N N 15 13.99982953 0.099806005 . . . . 314 THR N 26791 3 80 . 1 1 125 125 PHE N N 15 3.548574315 0.009341245 . . . . 315 PHE N 26791 3 81 . 1 1 128 128 ILE N N 15 17.2260504 0.18470252 . . . . 318 ILE N 26791 3 82 . 1 1 129 129 CYS N N 15 15.91963025 0.179697091 . . . . 319 CYS N 26791 3 83 . 1 1 130 130 LYS N N 15 15.69797216 0.127956545 . . . . 320 LYS N 26791 3 84 . 1 1 131 131 ARG N N 15 15.73052906 0.117945115 . . . . 321 ARG N 26791 3 85 . 1 1 133 133 TYR N N 15 15.23797004 0.108322991 . . . . 323 TYR N 26791 3 86 . 1 1 134 134 VAL N N 15 12.01925041 0.088788119 . . . . 324 VAL N 26791 3 stop_ save_ save_apo_LangCRD_R2_750 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode apo_LangCRD_R2_750 _Heteronucl_T2_list.Entry_ID 26791 _Heteronucl_T2_list.ID 4 _Heteronucl_T2_list.Sample_condition_list_ID 3 _Heteronucl_T2_list.Sample_condition_list_label $apo_conditions _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 19 '2D 1H-15N HSQC R2' . . . 26791 4 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $SPARKY . . 26791 4 4 $NMRPipe . . 26791 4 5 $relax . . 26791 4 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 8 8 GLY N N 15 11.33592296 0.110588796 . . . . 198 GLY N 26791 4 2 . 1 1 9 9 TRP N N 15 13.41283616 0.076788492 . . . . 199 TRP N 26791 4 3 . 1 1 10 10 LYS N N 15 15.68268134 0.13612223 . . . . 200 LYS N 26791 4 4 . 1 1 11 11 TYR N N 15 14.43571008 0.137071141 . . . . 201 TYR N 26791 4 5 . 1 1 12 12 PHE N N 15 15.05468603 0.108011279 . . . . 202 PHE N 26791 4 6 . 1 1 13 13 LYS N N 15 15.52883383 0.12924102 . . . . 203 LYS N 26791 4 7 . 1 1 14 14 GLY N N 15 15.08521443 0.14639316 . . . . 204 GLY N 26791 4 8 . 1 1 16 16 PHE N N 15 15.73759529 0.168683174 . . . . 206 PHE N 26791 4 9 . 1 1 17 17 TYR N N 15 16.19347955 0.18972854 . . . . 207 TYR N 26791 4 10 . 1 1 18 18 TYR N N 15 15.66005841 0.173898265 . . . . 208 TYR N 26791 4 11 . 1 1 20 20 SER N N 15 17.06079614 0.137376992 . . . . 210 SER N 26791 4 12 . 1 1 22 22 ILE N N 15 15.99526087 0.117114472 . . . . 212 ILE N 26791 4 13 . 1 1 24 24 LYS N N 15 15.10702525 0.095993927 . . . . 214 LYS N 26791 4 14 . 1 1 25 25 THR N N 15 15.16256737 0.101715928 . . . . 215 THR N 26791 4 15 . 1 1 27 27 TYR N N 15 16.93517206 0.305216341 . . . . 217 TYR N 26791 4 16 . 1 1 28 28 SER N N 15 17.37661494 0.135703939 . . . . 218 SER N 26791 4 17 . 1 1 29 29 ALA N N 15 19.34621307 0.158107671 . . . . 219 ALA N 26791 4 18 . 1 1 31 31 GLN N N 15 18.29722117 0.099516242 . . . . 221 GLN N 26791 4 19 . 1 1 32 32 PHE N N 15 11.41143658 0.046962096 . . . . 222 PHE N 26791 4 20 . 1 1 33 33 CYS N N 15 19.02235489 0.131740277 . . . . 223 CYS N 26791 4 21 . 1 1 34 34 VAL N N 15 18.66353424 0.16083428 . . . . 224 VAL N 26791 4 22 . 1 1 35 35 SER N N 15 18.26297035 0.117501739 . . . . 225 SER N 26791 4 23 . 1 1 36 36 ARG N N 15 18.12928043 0.117400692 . . . . 226 ARG N 26791 4 24 . 1 1 37 37 ASN N N 15 10.50079636 0.042786978 . . . . 227 ASN N 26791 4 25 . 1 1 38 38 SER N N 15 15.28402558 0.085103816 . . . . 228 SER N 26791 4 26 . 1 1 39 39 HIS N N 15 13.56817124 0.086750863 . . . . 229 HIS N 26791 4 27 . 1 1 40 40 LEU N N 15 15.30984061 0.144898579 . . . . 230 LEU N 26791 4 28 . 1 1 42 42 SER N N 15 18.76231688 0.281995125 . . . . 232 SER N 26791 4 29 . 1 1 44 44 THR N N 15 15.76905286 0.133145711 . . . . 234 THR N 26791 4 30 . 1 1 45 45 SER N N 15 15.172037 0.071199793 . . . . 235 SER N 26791 4 31 . 1 1 46 46 GLU N N 15 15.8517295 0.250105324 . . . . 236 GLU N 26791 4 32 . 1 1 48 48 GLU N N 15 16.02109839 0.105017546 . . . . 238 GLU N 26791 4 33 . 1 1 50 50 GLU N N 15 14.91753618 0.087432641 . . . . 240 GLU N 26791 4 34 . 1 1 51 51 PHE N N 15 16.82736059 0.100358508 . . . . 241 PHE N 26791 4 35 . 1 1 53 53 TYR N N 15 17.39330319 0.10327059 . . . . 243 TYR N 26791 4 36 . 1 1 54 54 LYS N N 15 16.56071688 0.108929277 . . . . 244 LYS N 26791 4 37 . 1 1 56 56 ALA N N 15 15.78268225 0.106345497 . . . . 246 ALA N 26791 4 38 . 1 1 57 57 GLY N N 15 14.09518294 0.114839569 . . . . 247 GLY N 26791 4 39 . 1 1 58 58 GLY N N 15 15.16896774 0.11594097 . . . . 248 GLY N 26791 4 40 . 1 1 59 59 LEU N N 15 17.8382844 0.104861546 . . . . 249 LEU N 26791 4 41 . 1 1 60 60 ILE N N 15 16.5332549 0.127207959 . . . . 250 ILE N 26791 4 42 . 1 1 61 61 TYR N N 15 15.65241185 0.140201548 . . . . 251 TYR N 26791 4 43 . 1 1 62 62 TRP N N 15 15.32427721 0.188599557 . . . . 252 TRP N 26791 4 44 . 1 1 63 63 ILE N N 15 17.10039809 0.236268475 . . . . 253 ILE N 26791 4 45 . 1 1 64 64 GLY N N 15 16.5193784 0.250380357 . . . . 254 GLY N 26791 4 46 . 1 1 65 65 LEU N N 15 14.9292482 0.13689693 . . . . 255 LEU N 26791 4 47 . 1 1 66 66 THR N N 15 16.95912357 0.172721906 . . . . 256 THR N 26791 4 48 . 1 1 67 67 LYS N N 15 19.68760962 0.370209012 . . . . 257 LYS N 26791 4 49 . 1 1 69 69 GLY N N 15 7.253468026 0.036896408 . . . . 259 GLY N 26791 4 50 . 1 1 70 70 MET N N 15 10.53320733 0.042246935 . . . . 260 MET N 26791 4 51 . 1 1 71 71 GLU N N 15 10.0068219 0.030410933 . . . . 261 GLU N 26791 4 52 . 1 1 72 72 GLY N N 15 8.89738488 0.035604243 . . . . 262 GLY N 26791 4 53 . 1 1 74 74 TRP N N 15 9.475883077 0.138576692 . . . . 264 TRP N 26791 4 54 . 1 1 75 75 SER N N 15 15.47968011 0.188410293 . . . . 265 SER N 26791 4 55 . 1 1 76 76 TRP N N 15 18.61500503 0.241410751 . . . . 266 TRP N 26791 4 56 . 1 1 77 77 VAL N N 15 16.05301444 0.156409452 . . . . 267 VAL N 26791 4 57 . 1 1 78 78 ASP N N 15 11.19095523 0.040785936 . . . . 268 ASP N 26791 4 58 . 1 1 80 80 THR N N 15 14.71383788 0.096755431 . . . . 270 THR N 26791 4 59 . 1 1 82 82 PHE N N 15 14.86258098 0.09821269 . . . . 272 PHE N 26791 4 60 . 1 1 83 83 ASN N N 15 14.98950585 0.144887687 . . . . 273 ASN N 26791 4 61 . 1 1 84 84 LYS N N 15 15.27851361 0.221638386 . . . . 274 LYS N 26791 4 62 . 1 1 85 85 VAL N N 15 14.06478556 0.058489827 . . . . 275 VAL N 26791 4 63 . 1 1 86 86 GLN N N 15 14.92824261 0.088811749 . . . . 276 GLN N 26791 4 64 . 1 1 87 87 SER N N 15 13.8343032 0.091009221 . . . . 277 SER N 26791 4 65 . 1 1 88 88 ALA N N 15 15.73423941 0.09844724 . . . . 278 ALA N 26791 4 66 . 1 1 89 89 ARG N N 15 13.79823393 0.095925033 . . . . 279 ARG N 26791 4 67 . 1 1 90 90 PHE N N 15 15.1318417 0.132373182 . . . . 280 PHE N 26791 4 68 . 1 1 91 91 TRP N N 15 16.43847231 0.125881771 . . . . 281 TRP N 26791 4 69 . 1 1 92 92 ILE N N 15 17.00122964 0.29917274 . . . . 282 ILE N 26791 4 70 . 1 1 94 94 GLY N N 15 15.20735899 0.183448831 . . . . 284 GLY N 26791 4 71 . 1 1 95 95 GLU N N 15 18.09831537 0.194052653 . . . . 285 GLU N 26791 4 72 . 1 1 100 100 GLY N N 15 7.69225344 0.102336954 . . . . 290 GLY N 26791 4 73 . 1 1 101 101 ASN N N 15 12.2577075 0.176922366 . . . . 291 ASN N 26791 4 74 . 1 1 102 102 ASN N N 15 9.102795732 0.118518784 . . . . 292 ASN N 26791 4 75 . 1 1 107 107 ASN N N 15 17.73208563 0.298134682 . . . . 297 ASN N 26791 4 76 . 1 1 109 109 LYS N N 15 15.9999071 0.216925939 . . . . 299 LYS N 26791 4 77 . 1 1 110 110 ALA N N 15 12.64473394 0.091667947 . . . . 300 ALA N 26791 4 78 . 1 1 113 113 LEU N N 15 15.44341811 0.083791444 . . . . 303 LEU N 26791 4 79 . 1 1 114 114 GLN N N 15 14.70078943 0.103955067 . . . . 304 GLN N 26791 4 80 . 1 1 115 115 ALA N N 15 13.96870906 0.145191877 . . . . 305 ALA N 26791 4 81 . 1 1 116 116 TRP N N 15 16.36280246 0.153946504 . . . . 306 TRP N 26791 4 82 . 1 1 124 124 THR N N 15 15.41296315 0.078158194 . . . . 314 THR N 26791 4 83 . 1 1 125 125 PHE N N 15 13.61942333 0.124243658 . . . . 315 PHE N 26791 4 84 . 1 1 126 126 LEU N N 15 15.75022466 0.14984268 . . . . 316 LEU N 26791 4 85 . 1 1 128 128 ILE N N 15 17.41432677 0.151287833 . . . . 318 ILE N 26791 4 86 . 1 1 129 129 CYS N N 15 15.55299071 0.153381743 . . . . 319 CYS N 26791 4 87 . 1 1 130 130 LYS N N 15 15.83998159 0.122577421 . . . . 320 LYS N 26791 4 88 . 1 1 131 131 ARG N N 15 16.11813867 0.170554208 . . . . 321 ARG N 26791 4 89 . 1 1 133 133 TYR N N 15 17.57408716 0.222537369 . . . . 323 TYR N 26791 4 90 . 1 1 134 134 VAL N N 15 13.75333103 0.123215131 . . . . 324 VAL N 26791 4 stop_ save_