data_6474 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6474 _Entry.Title ; The 15N relaxation data and backbone dynamics results of CLV1 pT868 bound KI-FHA from KAPP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-01-30 _Entry.Accession_date 2005-01-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Zhaofeng Ding . . . 6474 2 Gui-in Lee . . . 6474 3 Xiangyang Liang . . . 6474 4 Fabio Gallazzi . . . 6474 5 Steven 'Van Doren' . R. . 6474 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID order_parameters 1 6474 heteronucl_T1_relaxation 2 6474 heteronucl_T2_relaxation 2 6474 heteronucl_NOEs 2 6474 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 208 6474 'T2 relaxation values' 212 6474 'order parameters' 101 6474 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 . . 2011-03-30 2011-03-30 update BMRB ; corrected typos in data values added tau f and s val units tags with values of ns ; 6474 1 . . 2005-09-08 2005-01-30 orginal author . 6474 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5564 'Chemical shift data of the free protein' 6474 BMRB 5841 'relaxation data of free KI-FHA from KAPP' 6474 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6474 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16042389 _Citation.Full_citation . _Citation.Title ; PhosphoThr Peptide Binding Globally Rigidifies Much of the FHA Domain from Arabidopsis Receptor Kinase-Associated Protein Phosphatase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 30 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10119 _Citation.Page_last 10134 _Citation.Year 2005 _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.Entry_ID _Citation_author.Citation_ID 1 Zhaofeng Ding . . . 6474 1 2 Gui-In Lee . . . 6474 1 3 Xiangyang Liang . . . 6474 1 4 Fabio Gallazzi . . . 6474 1 5 A. Arunima . . . 6474 1 6 Steven 'Van Doren' . R. . 6474 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_KI-FHA_FHA_domain_Receptor-like_kinase_CLV1_pT868_peptide _Assembly.Sf_category assembly _Assembly.Sf_framecode system_KI-FHA_FHA_domain_Receptor-like_kinase_CLV1_pT868_peptide _Assembly.Entry_ID 6474 _Assembly.ID 1 _Assembly.Name 'KI-FHA domain of KAPP' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 6474 1 stop_ 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 'Kinase-interacting FHA domain of KAPP' 1 $KI-FHA . . . native . . . . . 6474 1 2 'CLV1 pT868 peptide' 2 $CLV1_pT868 . . . native . . . . . 6474 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 . PDB 1MZK . . . . . ; The solution structure of KI-FHA was deposit in PDB with accesion code 1MZK; The 15N relaxation data and backbone dynamics data of free KI-FHA was deposit in BMRB with accession code 5841; This is the 15N relaxation data and backbone dynamics results of KI-FHA complexed with CLV1 pT868 peptide. ; 6474 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'KI-FHA domain of KAPP' system 6474 1 'KI-FHA; FHA domain,Receptor-like kinase, CLV1 pT868 peptide' abbreviation 6474 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'pThr/Ser binding domain' 6474 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KI-FHA _Entity.Sf_category entity _Entity.Sf_framecode KI-FHA _Entity.Entry_ID 6474 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Kinase Interacting FHA (KI-FHA) domain from KAPP' _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 ; GPLGSSWLFLEVIAGPAIGL QHAVNSTSSSKLPVKLGRVS PSDLALKDSEVSGKHAQITW NSTKFKWELVDMGSLNGTLV NSHSISHPDLGSRKWGNPVE LASDDIITLGTTTKVYVRIS SQNEFQIPFKIGVASDPMA ; _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13238 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This molecular mass was determined by MS, the C-terminal FQIPFKIGVASDPMA is unstructured and cleaved off during protein preparation. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . REF NP_197429 . 'KAPP (Kinase-associated protein phosphatase); protein serine/threonine phosphatase [Arabidopsis thaliana]' . . . . . 96.40 581 100.00 100.00 1.10e-72 . . . . 6474 1 . . SWISS-PROT P46014 . 'Kinase-associated protein phosphatase' . . . . . 96.40 581 100.00 100.00 1.10e-72 . . . . 6474 1 . . GenBank AAK76527 . 'putative kinase associated protein phosphatase [Arabidopsis thaliana]' . . . . . 96.40 581 100.00 100.00 1.10e-72 . . . . 6474 1 . . GenBank AAM51227 . 'putative kinase associated protein phosphatase [Arabidopsis thaliana]' . . . . . 96.40 581 100.00 100.00 1.10e-72 . . . . 6474 1 . . PDB 1MZK . 'Nmr Structure Of Kinase-Interacting Fha Domain Of Kinase Associated Protein Phosphatase, Kapp In Arabidopsis' . . . . . 100.00 139 100.00 100.00 4.02e-74 . . . . 6474 1 . . GenBank AAB38148 . 'kinase associated protein phosphatase' . . . . . 96.40 581 100.00 100.00 1.10e-72 . . . . 6474 1 . . BMRB 5564 . 'kinase associated protein phosphatase' . . . . . 100.00 139 100.00 100.00 4.02e-74 . . . . 6474 1 . . BMRB 5841 . 'kinase associated protein phosphatase' . . . . . 100.00 139 100.00 100.00 4.02e-74 . . . . 6474 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Kinase Interacting FHA (KI-FHA) domain from KAPP' common 6474 1 KI-FHA abbreviation 6474 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 1 GLY . 6474 1 2 2 PRO . 6474 1 3 3 LEU . 6474 1 4 4 GLY . 6474 1 5 5 SER . 6474 1 6 180 SER . 6474 1 7 181 TRP . 6474 1 8 182 LEU . 6474 1 9 183 PHE . 6474 1 10 184 LEU . 6474 1 11 185 GLU . 6474 1 12 186 VAL . 6474 1 13 187 ILE . 6474 1 14 188 ALA . 6474 1 15 189 GLY . 6474 1 16 190 PRO . 6474 1 17 191 ALA . 6474 1 18 192 ILE . 6474 1 19 193 GLY . 6474 1 20 194 LEU . 6474 1 21 195 GLN . 6474 1 22 196 HIS . 6474 1 23 197 ALA . 6474 1 24 198 VAL . 6474 1 25 199 ASN . 6474 1 26 200 SER . 6474 1 27 201 THR . 6474 1 28 202 SER . 6474 1 29 203 SER . 6474 1 30 204 SER . 6474 1 31 205 LYS . 6474 1 32 206 LEU . 6474 1 33 207 PRO . 6474 1 34 208 VAL . 6474 1 35 209 LYS . 6474 1 36 210 LEU . 6474 1 37 211 GLY . 6474 1 38 212 ARG . 6474 1 39 213 VAL . 6474 1 40 214 SER . 6474 1 41 215 PRO . 6474 1 42 216 SER . 6474 1 43 217 ASP . 6474 1 44 218 LEU . 6474 1 45 219 ALA . 6474 1 46 220 LEU . 6474 1 47 221 LYS . 6474 1 48 222 ASP . 6474 1 49 223 SER . 6474 1 50 224 GLU . 6474 1 51 225 VAL . 6474 1 52 226 SER . 6474 1 53 227 GLY . 6474 1 54 228 LYS . 6474 1 55 229 HIS . 6474 1 56 230 ALA . 6474 1 57 231 GLN . 6474 1 58 232 ILE . 6474 1 59 233 THR . 6474 1 60 234 TRP . 6474 1 61 235 ASN . 6474 1 62 236 SER . 6474 1 63 237 THR . 6474 1 64 238 LYS . 6474 1 65 239 PHE . 6474 1 66 240 LYS . 6474 1 67 241 TRP . 6474 1 68 242 GLU . 6474 1 69 243 LEU . 6474 1 70 244 VAL . 6474 1 71 245 ASP . 6474 1 72 246 MET . 6474 1 73 247 GLY . 6474 1 74 248 SER . 6474 1 75 249 LEU . 6474 1 76 250 ASN . 6474 1 77 251 GLY . 6474 1 78 252 THR . 6474 1 79 253 LEU . 6474 1 80 254 VAL . 6474 1 81 255 ASN . 6474 1 82 256 SER . 6474 1 83 257 HIS . 6474 1 84 258 SER . 6474 1 85 259 ILE . 6474 1 86 260 SER . 6474 1 87 261 HIS . 6474 1 88 262 PRO . 6474 1 89 263 ASP . 6474 1 90 264 LEU . 6474 1 91 265 GLY . 6474 1 92 266 SER . 6474 1 93 267 ARG . 6474 1 94 268 LYS . 6474 1 95 269 TRP . 6474 1 96 270 GLY . 6474 1 97 271 ASN . 6474 1 98 272 PRO . 6474 1 99 273 VAL . 6474 1 100 274 GLU . 6474 1 101 275 LEU . 6474 1 102 276 ALA . 6474 1 103 277 SER . 6474 1 104 278 ASP . 6474 1 105 279 ASP . 6474 1 106 280 ILE . 6474 1 107 281 ILE . 6474 1 108 282 THR . 6474 1 109 283 LEU . 6474 1 110 284 GLY . 6474 1 111 285 THR . 6474 1 112 286 THR . 6474 1 113 287 THR . 6474 1 114 288 LYS . 6474 1 115 289 VAL . 6474 1 116 290 TYR . 6474 1 117 291 VAL . 6474 1 118 292 ARG . 6474 1 119 293 ILE . 6474 1 120 294 SER . 6474 1 121 295 SER . 6474 1 122 296 GLN . 6474 1 123 297 ASN . 6474 1 124 298 GLU . 6474 1 125 299 PHE . 6474 1 126 300 GLN . 6474 1 127 301 ILE . 6474 1 128 302 PRO . 6474 1 129 303 PHE . 6474 1 130 304 LYS . 6474 1 131 305 ILE . 6474 1 132 306 GLY . 6474 1 133 307 VAL . 6474 1 134 308 ALA . 6474 1 135 309 SER . 6474 1 136 310 ASP . 6474 1 137 311 PRO . 6474 1 138 312 MET . 6474 1 139 313 ALA . 6474 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 . GLY 1 1 6474 1 . PRO 2 2 6474 1 . LEU 3 3 6474 1 . GLY 4 4 6474 1 . SER 5 5 6474 1 . SER 6 6 6474 1 . TRP 7 7 6474 1 . LEU 8 8 6474 1 . PHE 9 9 6474 1 . LEU 10 10 6474 1 . GLU 11 11 6474 1 . VAL 12 12 6474 1 . ILE 13 13 6474 1 . ALA 14 14 6474 1 . GLY 15 15 6474 1 . PRO 16 16 6474 1 . ALA 17 17 6474 1 . ILE 18 18 6474 1 . GLY 19 19 6474 1 . LEU 20 20 6474 1 . GLN 21 21 6474 1 . HIS 22 22 6474 1 . ALA 23 23 6474 1 . VAL 24 24 6474 1 . ASN 25 25 6474 1 . SER 26 26 6474 1 . THR 27 27 6474 1 . SER 28 28 6474 1 . SER 29 29 6474 1 . SER 30 30 6474 1 . LYS 31 31 6474 1 . LEU 32 32 6474 1 . PRO 33 33 6474 1 . VAL 34 34 6474 1 . LYS 35 35 6474 1 . LEU 36 36 6474 1 . GLY 37 37 6474 1 . ARG 38 38 6474 1 . VAL 39 39 6474 1 . SER 40 40 6474 1 . PRO 41 41 6474 1 . SER 42 42 6474 1 . ASP 43 43 6474 1 . LEU 44 44 6474 1 . ALA 45 45 6474 1 . LEU 46 46 6474 1 . LYS 47 47 6474 1 . ASP 48 48 6474 1 . SER 49 49 6474 1 . GLU 50 50 6474 1 . VAL 51 51 6474 1 . SER 52 52 6474 1 . GLY 53 53 6474 1 . LYS 54 54 6474 1 . HIS 55 55 6474 1 . ALA 56 56 6474 1 . GLN 57 57 6474 1 . ILE 58 58 6474 1 . THR 59 59 6474 1 . TRP 60 60 6474 1 . ASN 61 61 6474 1 . SER 62 62 6474 1 . THR 63 63 6474 1 . LYS 64 64 6474 1 . PHE 65 65 6474 1 . LYS 66 66 6474 1 . TRP 67 67 6474 1 . GLU 68 68 6474 1 . LEU 69 69 6474 1 . VAL 70 70 6474 1 . ASP 71 71 6474 1 . MET 72 72 6474 1 . GLY 73 73 6474 1 . SER 74 74 6474 1 . LEU 75 75 6474 1 . ASN 76 76 6474 1 . GLY 77 77 6474 1 . THR 78 78 6474 1 . LEU 79 79 6474 1 . VAL 80 80 6474 1 . ASN 81 81 6474 1 . SER 82 82 6474 1 . HIS 83 83 6474 1 . SER 84 84 6474 1 . ILE 85 85 6474 1 . SER 86 86 6474 1 . HIS 87 87 6474 1 . PRO 88 88 6474 1 . ASP 89 89 6474 1 . LEU 90 90 6474 1 . GLY 91 91 6474 1 . SER 92 92 6474 1 . ARG 93 93 6474 1 . LYS 94 94 6474 1 . TRP 95 95 6474 1 . GLY 96 96 6474 1 . ASN 97 97 6474 1 . PRO 98 98 6474 1 . VAL 99 99 6474 1 . GLU 100 100 6474 1 . LEU 101 101 6474 1 . ALA 102 102 6474 1 . SER 103 103 6474 1 . ASP 104 104 6474 1 . ASP 105 105 6474 1 . ILE 106 106 6474 1 . ILE 107 107 6474 1 . THR 108 108 6474 1 . LEU 109 109 6474 1 . GLY 110 110 6474 1 . THR 111 111 6474 1 . THR 112 112 6474 1 . THR 113 113 6474 1 . LYS 114 114 6474 1 . VAL 115 115 6474 1 . TYR 116 116 6474 1 . VAL 117 117 6474 1 . ARG 118 118 6474 1 . ILE 119 119 6474 1 . SER 120 120 6474 1 . SER 121 121 6474 1 . GLN 122 122 6474 1 . ASN 123 123 6474 1 . GLU 124 124 6474 1 . PHE 125 125 6474 1 . GLN 126 126 6474 1 . ILE 127 127 6474 1 . PRO 128 128 6474 1 . PHE 129 129 6474 1 . LYS 130 130 6474 1 . ILE 131 131 6474 1 . GLY 132 132 6474 1 . VAL 133 133 6474 1 . ALA 134 134 6474 1 . SER 135 135 6474 1 . ASP 136 136 6474 1 . PRO 137 137 6474 1 . MET 138 138 6474 1 . ALA 139 139 6474 1 stop_ save_ save_CLV1_pT868 _Entity.Sf_category entity _Entity.Sf_framecode CLV1_pT868 _Entity.Entry_ID 6474 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'CLV1 pT868 peptide' _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 PEYAYTLKVDEKS _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The peptide PEYAYT(p)LKVDEKS (aa863-875) of CLAVATA1, denoted CLV1 pT868 peptide.' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2005-09-15 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CLV1 pT868 peptide' common 6474 2 'CLV1 pT868 peptide' abbreviation 6474 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 1 863 PRO . 6474 2 2 864 GLU . 6474 2 3 865 TYR . 6474 2 4 866 ALA . 6474 2 5 867 TYR . 6474 2 6 868 THR . 6474 2 7 869 LEU . 6474 2 8 870 LYS . 6474 2 9 871 VAL . 6474 2 10 872 ASP . 6474 2 11 873 GLU . 6474 2 12 874 LYS . 6474 2 13 875 SER . 6474 2 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 . PRO 1 1 6474 2 . GLU 2 2 6474 2 . TYR 3 3 6474 2 . ALA 4 4 6474 2 . TYR 5 5 6474 2 . THR 6 6 6474 2 . LEU 7 7 6474 2 . LYS 8 8 6474 2 . VAL 9 9 6474 2 . ASP 10 10 6474 2 . GLU 11 11 6474 2 . LYS 12 12 6474 2 . SER 13 13 6474 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 6474 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $KI-FHA . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6474 1 2 2 $CLV1_pT868 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6474 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 6474 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $KI-FHA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 2 2 $CLV1_pT868 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 6474 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Kinase Interacting FHA (KI-FHA) domain from KAPP' [U-15N] . . 1 $KI-FHA . . 0.53 . . mM . . . . 6474 1 2 'CLV1 pT868 peptide' . . . 2 $CLV1_pT868 . . 2.1 . . mM . . . . 6474 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_one _Sample_condition_list.Entry_ID 6474 _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 pH 6.3 0.1 pH 6474 1 temperature 295 1 K 6474 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6474 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6474 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6474 _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 NMR_spectrometer_1 Bruker DRX . 500 . . . 6474 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 6474 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 6474 _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 '15N T1 relaxation' . . . . . . . . . . . 1 $sample_one . . . 1 $condition_one . . . . . . . . . . . . . . . . . . . . . 6474 1 2 '15N T2 relaxation' . . . . . . . . . . . 1 $sample_one . . . 1 $condition_one . . . . . . . . . . . . . . . . . . . . . 6474 1 3 'heteronuclear 1H-15N NOE' . . . . . . . . . . . 1 $sample_one . . . 1 $condition_one . . . . . . . . . . . . . . . . . . . . . 6474 1 4 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $condition_one . . . . . . . . . . . . . . . . . . . . . 6474 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6474 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N T1 relaxation' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6474 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N T2 relaxation' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6474 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'heteronuclear 1H-15N NOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6474 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Entry_ID 6474 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_one _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _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 . . 1 $sample_one . 6474 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 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 -0.200 0.122 . . . . . . . . . . 6474 1 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 -0.016 0.052 . . . . . . . . . . 6474 1 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.371 0.031 . . . . . . . . . . 6474 1 4 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.638 0.035 . . . . . . . . . . 6474 1 5 . 1 1 7 7 TRP N N 15 . 1 1 7 7 TRP H H 1 0.801 0.076 . . . . . . . . . . 6474 1 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.545 0.049 . . . . . . . . . . 6474 1 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.815 0.060 . . . . . . . . . . 6474 1 8 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.678 0.108 . . . . . . . . . . 6474 1 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.401 0.113 . . . . . . . . . . 6474 1 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.871 0.051 . . . . . . . . . . 6474 1 11 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.706 0.098 . . . . . . . . . . 6474 1 12 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.693 0.040 . . . . . . . . . . 6474 1 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.757 0.085 . . . . . . . . . . 6474 1 14 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.737 0.086 . . . . . . . . . . 6474 1 15 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.563 0.099 . . . . . . . . . . 6474 1 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.517 0.048 . . . . . . . . . . 6474 1 17 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.509 0.021 . . . . . . . . . . 6474 1 18 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.710 0.073 . . . . . . . . . . 6474 1 19 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.867 0.026 . . . . . . . . . . 6474 1 20 . 1 1 24 24 VAL N N 15 . 1 1 24 24 VAL H H 1 0.767 0.062 . . . . . . . . . . 6474 1 21 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.777 0.038 . . . . . . . . . . 6474 1 22 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 0.750 0.004 . . . . . . . . . . 6474 1 23 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.743 0.009 . . . . . . . . . . 6474 1 24 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.706 0.011 . . . . . . . . . . 6474 1 25 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.524 0.011 . . . . . . . . . . 6474 1 26 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.660 0.032 . . . . . . . . . . 6474 1 27 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.688 0.020 . . . . . . . . . . 6474 1 28 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.798 0.011 . . . . . . . . . . 6474 1 29 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.688 0.004 . . . . . . . . . . 6474 1 30 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.553 0.030 . . . . . . . . . . 6474 1 31 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.632 0.033 . . . . . . . . . . 6474 1 32 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.732 0.019 . . . . . . . . . . 6474 1 33 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.701 0.035 . . . . . . . . . . 6474 1 34 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.834 0.086 . . . . . . . . . . 6474 1 35 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.685 0.054 . . . . . . . . . . 6474 1 36 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.649 0.032 . . . . . . . . . . 6474 1 37 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.782 0.023 . . . . . . . . . . 6474 1 38 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.760 0.038 . . . . . . . . . . 6474 1 39 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.658 0.046 . . . . . . . . . . 6474 1 40 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.766 0.049 . . . . . . . . . . 6474 1 41 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.783 0.022 . . . . . . . . . . 6474 1 42 . 1 1 60 60 TRP N N 15 . 1 1 60 60 TRP H H 1 0.692 0.047 . . . . . . . . . . 6474 1 43 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.714 0.042 . . . . . . . . . . 6474 1 44 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.688 0.015 . . . . . . . . . . 6474 1 45 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.648 0.027 . . . . . . . . . . 6474 1 46 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.735 0.004 . . . . . . . . . . 6474 1 47 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.698 0.005 . . . . . . . . . . 6474 1 48 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.728 0.049 . . . . . . . . . . 6474 1 49 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.790 0.027 . . . . . . . . . . 6474 1 50 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.798 0.044 . . . . . . . . . . 6474 1 51 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.697 0.069 . . . . . . . . . . 6474 1 52 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.573 0.012 . . . . . . . . . . 6474 1 53 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.817 0.040 . . . . . . . . . . 6474 1 54 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.637 0.026 . . . . . . . . . . 6474 1 55 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.768 0.019 . . . . . . . . . . 6474 1 56 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.779 0.018 . . . . . . . . . . 6474 1 57 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.777 0.058 . . . . . . . . . . 6474 1 58 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.789 0.020 . . . . . . . . . . 6474 1 59 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.716 0.020 . . . . . . . . . . 6474 1 60 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.805 0.037 . . . . . . . . . . 6474 1 61 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.699 0.074 . . . . . . . . . . 6474 1 62 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.705 0.015 . . . . . . . . . . 6474 1 63 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.781 0.032 . . . . . . . . . . 6474 1 64 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.673 0.060 . . . . . . . . . . 6474 1 65 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.523 0.020 . . . . . . . . . . 6474 1 66 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.756 0.034 . . . . . . . . . . 6474 1 67 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.402 0.013 . . . . . . . . . . 6474 1 68 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.408 0.083 . . . . . . . . . . 6474 1 69 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.619 0.047 . . . . . . . . . . 6474 1 70 . 1 1 95 95 TRP N N 15 . 1 1 95 95 TRP H H 1 0.715 0.068 . . . . . . . . . . 6474 1 71 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.757 0.006 . . . . . . . . . . 6474 1 72 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.669 0.038 . . . . . . . . . . 6474 1 73 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.763 0.062 . . . . . . . . . . 6474 1 74 . 1 1 100 100 GLU N N 15 . 1 1 100 100 GLU H H 1 0.583 0.061 . . . . . . . . . . 6474 1 75 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.554 0.064 . . . . . . . . . . 6474 1 76 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.764 0.048 . . . . . . . . . . 6474 1 77 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.770 0.060 . . . . . . . . . . 6474 1 78 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.826 0.022 . . . . . . . . . . 6474 1 79 . 1 1 106 106 ILE N N 15 . 1 1 106 106 ILE H H 1 0.736 0.066 . . . . . . . . . . 6474 1 80 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.827 0.086 . . . . . . . . . . 6474 1 81 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.797 0.034 . . . . . . . . . . 6474 1 82 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.720 0.041 . . . . . . . . . . 6474 1 83 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.685 0.029 . . . . . . . . . . 6474 1 84 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.775 0.087 . . . . . . . . . . 6474 1 85 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.782 0.072 . . . . . . . . . . 6474 1 86 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.693 0.068 . . . . . . . . . . 6474 1 87 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.718 0.055 . . . . . . . . . . 6474 1 88 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.714 0.049 . . . . . . . . . . 6474 1 89 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.639 0.080 . . . . . . . . . . 6474 1 90 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.321 0.061 . . . . . . . . . . 6474 1 91 . 1 1 123 123 ASN N N 15 . 1 1 123 123 ASN H H 1 0.317 0.042 . . . . . . . . . . 6474 1 stop_ save_ save_heteronuclear_NOE_set_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_2 _Heteronucl_NOE_list.Entry_ID 6474 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_one _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _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 . . 1 $sample_one . 6474 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 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 -0.273 0.002 . . . . . . . . . . 6474 2 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 -0.056 0.014 . . . . . . . . . . 6474 2 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.493 0.017 . . . . . . . . . . 6474 2 4 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.814 0.017 . . . . . . . . . . 6474 2 5 . 1 1 7 7 TRP N N 15 . 1 1 7 7 TRP H H 1 0.819 0.050 . . . . . . . . . . 6474 2 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.812 0.020 . . . . . . . . . . 6474 2 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.803 0.018 . . . . . . . . . . 6474 2 8 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.786 0.020 . . . . . . . . . . 6474 2 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.770 0.028 . . . . . . . . . . 6474 2 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.769 0.017 . . . . . . . . . . 6474 2 11 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.809 0.003 . . . . . . . . . . 6474 2 12 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.821 0.043 . . . . . . . . . . 6474 2 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.835 0.047 . . . . . . . . . . 6474 2 14 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.805 0.035 . . . . . . . . . . 6474 2 15 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.735 0.046 . . . . . . . . . . 6474 2 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.845 0.012 . . . . . . . . . . 6474 2 17 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.734 0.091 . . . . . . . . . . 6474 2 18 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.835 0.054 . . . . . . . . . . 6474 2 19 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.835 0.087 . . . . . . . . . . 6474 2 20 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.817 0.058 . . . . . . . . . . 6474 2 21 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.823 0.033 . . . . . . . . . . 6474 2 22 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.764 0.008 . . . . . . . . . . 6474 2 23 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.592 0.006 . . . . . . . . . . 6474 2 24 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.766 0.015 . . . . . . . . . . 6474 2 25 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.775 0.011 . . . . . . . . . . 6474 2 26 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.832 0.044 . . . . . . . . . . 6474 2 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.801 0.004 . . . . . . . . . . 6474 2 28 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.811 0.025 . . . . . . . . . . 6474 2 29 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.799 0.090 . . . . . . . . . . 6474 2 30 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.709 0.005 . . . . . . . . . . 6474 2 31 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.794 0.050 . . . . . . . . . . 6474 2 32 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.817 0.059 . . . . . . . . . . 6474 2 33 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 0.782 0.014 . . . . . . . . . . 6474 2 34 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.749 0.110 . . . . . . . . . . 6474 2 35 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.732 0.064 . . . . . . . . . . 6474 2 36 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.835 0.006 . . . . . . . . . . 6474 2 37 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.779 0.007 . . . . . . . . . . 6474 2 38 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.764 0.045 . . . . . . . . . . 6474 2 39 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.803 0.011 . . . . . . . . . . 6474 2 40 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.822 0.003 . . . . . . . . . . 6474 2 41 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.802 0.012 . . . . . . . . . . 6474 2 42 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.834 0.029 . . . . . . . . . . 6474 2 43 . 1 1 60 60 TRP N N 15 . 1 1 60 60 TRP H H 1 0.780 0.013 . . . . . . . . . . 6474 2 44 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.819 0.013 . . . . . . . . . . 6474 2 45 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.823 0.006 . . . . . . . . . . 6474 2 46 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.724 0.009 . . . . . . . . . . 6474 2 47 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.788 0.010 . . . . . . . . . . 6474 2 48 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.792 0.042 . . . . . . . . . . 6474 2 49 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.812 0.064 . . . . . . . . . . 6474 2 50 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.808 0.035 . . . . . . . . . . 6474 2 51 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.810 0.001 . . . . . . . . . . 6474 2 52 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.828 0.016 . . . . . . . . . . 6474 2 53 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.789 0.012 . . . . . . . . . . 6474 2 54 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.852 0.022 . . . . . . . . . . 6474 2 55 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.709 0.007 . . . . . . . . . . 6474 2 56 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.774 0.060 . . . . . . . . . . 6474 2 57 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.853 0.010 . . . . . . . . . . 6474 2 58 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.868 0.018 . . . . . . . . . . 6474 2 59 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.832 0.007 . . . . . . . . . . 6474 2 60 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.806 0.076 . . . . . . . . . . 6474 2 61 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.828 0.012 . . . . . . . . . . 6474 2 62 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.829 0.021 . . . . . . . . . . 6474 2 63 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.821 0.035 . . . . . . . . . . 6474 2 64 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.850 0.023 . . . . . . . . . . 6474 2 65 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.805 0.013 . . . . . . . . . . 6474 2 66 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.837 0.021 . . . . . . . . . . 6474 2 67 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.842 0.004 . . . . . . . . . . 6474 2 68 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.824 0.007 . . . . . . . . . . 6474 2 69 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.828 0.016 . . . . . . . . . . 6474 2 70 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.738 0.010 . . . . . . . . . . 6474 2 71 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.516 0.0004648 . . . . . . . . . . 6474 2 72 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.764 0.009 . . . . . . . . . . 6474 2 73 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.774 0.005 . . . . . . . . . . 6474 2 74 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.751 0.004 . . . . . . . . . . 6474 2 75 . 1 1 95 95 TRP N N 15 . 1 1 95 95 TRP H H 1 0.785 0.0007224 . . . . . . . . . . 6474 2 76 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.820 0.013 . . . . . . . . . . 6474 2 77 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.811 0.030 . . . . . . . . . . 6474 2 78 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.807 0.013 . . . . . . . . . . 6474 2 79 . 1 1 100 100 GLU N N 15 . 1 1 100 100 GLU H H 1 0.715 0.045 . . . . . . . . . . 6474 2 80 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.819 0.010 . . . . . . . . . . 6474 2 81 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.770 0.051 . . . . . . . . . . 6474 2 82 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.807 0.030 . . . . . . . . . . 6474 2 83 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.841 0.029 . . . . . . . . . . 6474 2 84 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.810 0.035 . . . . . . . . . . 6474 2 85 . 1 1 106 106 ILE N N 15 . 1 1 106 106 ILE H H 1 0.798 0.001 . . . . . . . . . . 6474 2 86 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.859 0.050 . . . . . . . . . . 6474 2 87 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.816 0.006 . . . . . . . . . . 6474 2 88 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.824 0.021 . . . . . . . . . . 6474 2 89 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.806 0.025 . . . . . . . . . . 6474 2 90 . 1 1 112 112 THR N N 15 . 1 1 112 112 THR H H 1 0.771 0.040 . . . . . . . . . . 6474 2 91 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.820 0.038 . . . . . . . . . . 6474 2 92 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.820 0.018 . . . . . . . . . . 6474 2 93 . 1 1 116 116 TYR N N 15 . 1 1 116 116 TYR H H 1 0.824 0.059 . . . . . . . . . . 6474 2 94 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.835 0.069 . . . . . . . . . . 6474 2 95 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.805 0.023 . . . . . . . . . . 6474 2 96 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.789 0.060 . . . . . . . . . . 6474 2 97 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.708 0.044 . . . . . . . . . . 6474 2 98 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.613 0.024 . . . . . . . . . . 6474 2 99 . 1 1 123 123 ASN N N 15 . 1 1 123 123 ASN H H 1 0.729 0.003 . . . . . . . . . . 6474 2 100 . 1 1 124 124 GLU N N 15 . 1 1 124 124 GLU H H 1 -0.039 0.012 . . . . . . . . . . 6474 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_15N_T1_set_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_set_1 _Heteronucl_T1_list.Entry_ID 6474 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_one _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _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 . . 1 $sample_one . 6474 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 3 3 LEU N N 15 0.570 0.044 . . . . . 6474 1 2 . 1 1 4 4 GLY N N 15 0.508 0.045 . . . . . 6474 1 3 . 1 1 5 5 SER N N 15 0.470 0.055 . . . . . 6474 1 4 . 1 1 6 6 SER N N 15 0.495 0.047 . . . . . 6474 1 5 . 1 1 7 7 TRP N N 15 0.503 0.048 . . . . . 6474 1 6 . 1 1 8 8 LEU N N 15 0.559 0.031 . . . . . 6474 1 7 . 1 1 9 9 PHE N N 15 0.527 0.037 . . . . . 6474 1 8 . 1 1 10 10 LEU N N 15 0.466 0.059 . . . . . 6474 1 9 . 1 1 11 11 GLU N N 15 0.473 0.019 . . . . . 6474 1 10 . 1 1 12 12 VAL N N 15 0.476 0.077 . . . . . 6474 1 11 . 1 1 14 14 ALA N N 15 0.510 0.047 . . . . . 6474 1 12 . 1 1 15 15 GLY N N 15 0.547 0.043 . . . . . 6474 1 13 . 1 1 17 17 ALA N N 15 0.442 0.028 . . . . . 6474 1 14 . 1 1 18 18 ILE N N 15 0.576 0.044 . . . . . 6474 1 15 . 1 1 19 19 GLY N N 15 0.492 0.034 . . . . . 6474 1 16 . 1 1 20 20 LEU N N 15 0.547 0.030 . . . . . 6474 1 17 . 1 1 21 21 GLN N N 15 0.499 0.019 . . . . . 6474 1 18 . 1 1 22 22 HIS N N 15 0.565 0.063 . . . . . 6474 1 19 . 1 1 23 23 ALA N N 15 0.485 0.063 . . . . . 6474 1 20 . 1 1 24 24 VAL N N 15 0.462 0.067 . . . . . 6474 1 21 . 1 1 25 25 ASN N N 15 0.537 0.022 . . . . . 6474 1 22 . 1 1 26 26 SER N N 15 0.475 0.048 . . . . . 6474 1 23 . 1 1 27 27 THR N N 15 0.414 0.032 . . . . . 6474 1 24 . 1 1 28 28 SER N N 15 0.471 0.059 . . . . . 6474 1 25 . 1 1 29 29 SER N N 15 0.455 0.042 . . . . . 6474 1 26 . 1 1 31 31 LYS N N 15 0.537 0.022 . . . . . 6474 1 27 . 1 1 32 32 LEU N N 15 0.600 0.047 . . . . . 6474 1 28 . 1 1 34 34 VAL N N 15 0.556 0.036 . . . . . 6474 1 29 . 1 1 35 35 LYS N N 15 0.586 0.025 . . . . . 6474 1 30 . 1 1 37 37 GLY N N 15 0.464 0.047 . . . . . 6474 1 31 . 1 1 39 39 VAL N N 15 0.424 0.031 . . . . . 6474 1 32 . 1 1 42 42 SER N N 15 0.422 0.046 . . . . . 6474 1 33 . 1 1 44 44 LEU N N 15 0.527 0.046 . . . . . 6474 1 34 . 1 1 45 45 ALA N N 15 0.643 0.065 . . . . . 6474 1 35 . 1 1 46 46 LEU N N 15 0.500 0.046 . . . . . 6474 1 36 . 1 1 47 47 LYS N N 15 0.415 0.047 . . . . . 6474 1 37 . 1 1 50 50 GLU N N 15 0.693 0.138 . . . . . 6474 1 38 . 1 1 51 51 VAL N N 15 0.573 0.079 . . . . . 6474 1 39 . 1 1 54 54 LYS N N 15 0.546 0.047 . . . . . 6474 1 40 . 1 1 55 55 HIS N N 15 0.518 0.040 . . . . . 6474 1 41 . 1 1 56 56 ALA N N 15 0.555 0.048 . . . . . 6474 1 42 . 1 1 57 57 GLN N N 15 0.539 0.060 . . . . . 6474 1 43 . 1 1 58 58 ILE N N 15 0.563 0.009 . . . . . 6474 1 44 . 1 1 59 59 THR N N 15 0.543 0.023 . . . . . 6474 1 45 . 1 1 60 60 TRP N N 15 0.539 0.020 . . . . . 6474 1 46 . 1 1 61 61 ASN N N 15 0.528 0.023 . . . . . 6474 1 47 . 1 1 62 62 SER N N 15 0.490 0.028 . . . . . 6474 1 48 . 1 1 63 63 THR N N 15 0.573 0.066 . . . . . 6474 1 49 . 1 1 64 64 LYS N N 15 0.598 0.023 . . . . . 6474 1 50 . 1 1 65 65 PHE N N 15 0.579 0.034 . . . . . 6474 1 51 . 1 1 66 66 LYS N N 15 0.541 0.048 . . . . . 6474 1 52 . 1 1 67 67 TRP N N 15 0.555 0.012 . . . . . 6474 1 53 . 1 1 68 68 GLU N N 15 0.557 0.045 . . . . . 6474 1 54 . 1 1 69 69 LEU N N 15 0.603 0.034 . . . . . 6474 1 55 . 1 1 70 70 VAL N N 15 0.518 0.033 . . . . . 6474 1 56 . 1 1 71 71 ASP N N 15 0.464 0.020 . . . . . 6474 1 57 . 1 1 72 72 MET N N 15 0.568 0.050 . . . . . 6474 1 58 . 1 1 73 73 GLY N N 15 0.567 0.058 . . . . . 6474 1 59 . 1 1 74 74 SER N N 15 0.474 0.054 . . . . . 6474 1 60 . 1 1 75 75 LEU N N 15 0.351 0.070 . . . . . 6474 1 61 . 1 1 76 76 ASN N N 15 0.444 0.052 . . . . . 6474 1 62 . 1 1 77 77 GLY N N 15 0.412 0.030 . . . . . 6474 1 63 . 1 1 78 78 THR N N 15 0.464 0.039 . . . . . 6474 1 64 . 1 1 79 79 LEU N N 15 0.563 0.052 . . . . . 6474 1 65 . 1 1 80 80 VAL N N 15 0.526 0.057 . . . . . 6474 1 66 . 1 1 81 81 ASN N N 15 0.494 0.056 . . . . . 6474 1 67 . 1 1 82 82 SER N N 15 0.377 0.038 . . . . . 6474 1 68 . 1 1 83 83 HIS N N 15 0.494 0.029 . . . . . 6474 1 69 . 1 1 84 84 SER N N 15 0.781 0.032 . . . . . 6474 1 70 . 1 1 85 85 ILE N N 15 0.479 0.030 . . . . . 6474 1 71 . 1 1 86 86 SER N N 15 0.453 0.018 . . . . . 6474 1 72 . 1 1 87 87 HIS N N 15 0.630 0.101 . . . . . 6474 1 73 . 1 1 89 89 ASP N N 15 0.556 0.030 . . . . . 6474 1 74 . 1 1 91 91 GLY N N 15 0.566 0.051 . . . . . 6474 1 75 . 1 1 92 92 SER N N 15 0.425 0.033 . . . . . 6474 1 76 . 1 1 93 93 ARG N N 15 0.432 0.032 . . . . . 6474 1 77 . 1 1 94 94 LYS N N 15 0.494 0.027 . . . . . 6474 1 78 . 1 1 95 95 TRP N N 15 0.553 0.024 . . . . . 6474 1 79 . 1 1 96 96 GLY N N 15 0.475 0.051 . . . . . 6474 1 80 . 1 1 97 97 ASN N N 15 0.510 0.065 . . . . . 6474 1 81 . 1 1 99 99 VAL N N 15 0.545 0.035 . . . . . 6474 1 82 . 1 1 100 100 GLU N N 15 0.592 0.036 . . . . . 6474 1 83 . 1 1 101 101 LEU N N 15 0.548 0.031 . . . . . 6474 1 84 . 1 1 102 102 ALA N N 15 0.650 0.085 . . . . . 6474 1 85 . 1 1 103 103 SER N N 15 0.644 0.035 . . . . . 6474 1 86 . 1 1 104 104 ASP N N 15 0.441 0.047 . . . . . 6474 1 87 . 1 1 105 105 ASP N N 15 0.549 0.050 . . . . . 6474 1 88 . 1 1 106 106 ILE N N 15 0.555 0.032 . . . . . 6474 1 89 . 1 1 107 107 ILE N N 15 0.532 0.059 . . . . . 6474 1 90 . 1 1 108 108 THR N N 15 0.529 0.052 . . . . . 6474 1 91 . 1 1 109 109 LEU N N 15 0.492 0.039 . . . . . 6474 1 92 . 1 1 110 110 GLY N N 15 0.509 0.023 . . . . . 6474 1 93 . 1 1 112 112 THR N N 15 0.419 0.039 . . . . . 6474 1 94 . 1 1 113 113 THR N N 15 0.505 0.179 . . . . . 6474 1 95 . 1 1 114 114 LYS N N 15 0.559 0.026 . . . . . 6474 1 96 . 1 1 115 115 VAL N N 15 0.516 0.063 . . . . . 6474 1 97 . 1 1 116 116 TYR N N 15 0.514 0.074 . . . . . 6474 1 98 . 1 1 117 117 VAL N N 15 0.456 0.042 . . . . . 6474 1 99 . 1 1 118 118 ARG N N 15 0.498 0.034 . . . . . 6474 1 100 . 1 1 120 120 SER N N 15 0.564 0.038 . . . . . 6474 1 101 . 1 1 121 121 SER N N 15 0.709 0.183 . . . . . 6474 1 102 . 1 1 122 122 GLN N N 15 0.392 0.029 . . . . . 6474 1 103 . 1 1 123 123 ASN N N 15 0.595 0.077 . . . . . 6474 1 104 . 1 1 124 124 GLU N N 15 0.663 0.050 . . . . . 6474 1 stop_ save_ save_15N_T1_set_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_set_2 _Heteronucl_T1_list.Entry_ID 6474 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_one _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _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 . . 1 $sample_one . 6474 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 3 3 LEU N N 15 0.690 0.020 . . . . . 6474 2 2 . 1 1 4 4 GLY N N 15 0.649 0.033 . . . . . 6474 2 3 . 1 1 5 5 SER N N 15 0.626 0.027 . . . . . 6474 2 4 . 1 1 6 6 SER N N 15 0.657 0.023 . . . . . 6474 2 5 . 1 1 7 7 TRP N N 15 0.703 0.022 . . . . . 6474 2 6 . 1 1 8 8 LEU N N 15 0.751 0.021 . . . . . 6474 2 7 . 1 1 9 9 PHE N N 15 0.748 0.016 . . . . . 6474 2 8 . 1 1 10 10 LEU N N 15 0.844 0.034 . . . . . 6474 2 9 . 1 1 11 11 GLU N N 15 0.719 0.016 . . . . . 6474 2 10 . 1 1 12 12 VAL N N 15 0.818 0.073 . . . . . 6474 2 11 . 1 1 14 14 ALA N N 15 0.753 0.027 . . . . . 6474 2 12 . 1 1 15 15 GLY N N 15 0.749 0.016 . . . . . 6474 2 13 . 1 1 17 17 ALA N N 15 0.640 0.029 . . . . . 6474 2 14 . 1 1 18 18 ILE N N 15 0.886 0.052 . . . . . 6474 2 15 . 1 1 19 19 GLY N N 15 0.779 0.079 . . . . . 6474 2 16 . 1 1 20 20 LEU N N 15 0.804 0.032 . . . . . 6474 2 17 . 1 1 21 21 GLN N N 15 0.746 0.047 . . . . . 6474 2 18 . 1 1 22 22 HIS N N 15 0.801 0.040 . . . . . 6474 2 19 . 1 1 23 23 ALA N N 15 0.749 0.035 . . . . . 6474 2 20 . 1 1 24 24 VAL N N 15 0.697 0.026 . . . . . 6474 2 21 . 1 1 25 25 ASN N N 15 0.704 0.015 . . . . . 6474 2 22 . 1 1 26 26 SER N N 15 0.723 0.027 . . . . . 6474 2 23 . 1 1 27 27 THR N N 15 0.618 0.025 . . . . . 6474 2 24 . 1 1 28 28 SER N N 15 0.646 0.012 . . . . . 6474 2 25 . 1 1 29 29 SER N N 15 0.724 0.030 . . . . . 6474 2 26 . 1 1 31 31 LYS N N 15 0.768 0.015 . . . . . 6474 2 27 . 1 1 32 32 LEU N N 15 0.840 0.020 . . . . . 6474 2 28 . 1 1 34 34 VAL N N 15 0.738 0.012 . . . . . 6474 2 29 . 1 1 35 35 LYS N N 15 0.797 0.021 . . . . . 6474 2 30 . 1 1 37 37 GLY N N 15 0.652 0.019 . . . . . 6474 2 31 . 1 1 39 39 VAL N N 15 0.725 0.059 . . . . . 6474 2 32 . 1 1 42 42 SER N N 15 0.605 0.025 . . . . . 6474 2 33 . 1 1 44 44 LEU N N 15 0.752 0.011 . . . . . 6474 2 34 . 1 1 45 45 ALA N N 15 0.815 0.011 . . . . . 6474 2 35 . 1 1 46 46 LEU N N 15 0.756 0.015 . . . . . 6474 2 36 . 1 1 47 47 LYS N N 15 0.688 0.066 . . . . . 6474 2 37 . 1 1 50 50 GLU N N 15 0.617 0.032 . . . . . 6474 2 38 . 1 1 51 51 VAL N N 15 0.670 0.045 . . . . . 6474 2 39 . 1 1 54 54 LYS N N 15 0.755 0.024 . . . . . 6474 2 40 . 1 1 55 55 HIS N N 15 0.794 0.034 . . . . . 6474 2 41 . 1 1 56 56 ALA N N 15 0.725 0.020 . . . . . 6474 2 42 . 1 1 57 57 GLN N N 15 0.759 0.008 . . . . . 6474 2 43 . 1 1 58 58 ILE N N 15 0.836 0.043 . . . . . 6474 2 44 . 1 1 59 59 THR N N 15 0.739 0.008 . . . . . 6474 2 45 . 1 1 60 60 TRP N N 15 0.746 0.013 . . . . . 6474 2 46 . 1 1 61 61 ASN N N 15 0.730 0.013 . . . . . 6474 2 47 . 1 1 62 62 SER N N 15 0.692 0.018 . . . . . 6474 2 48 . 1 1 63 63 THR N N 15 0.834 0.040 . . . . . 6474 2 49 . 1 1 64 64 LYS N N 15 0.769 0.016 . . . . . 6474 2 50 . 1 1 65 65 PHE N N 15 0.783 0.021 . . . . . 6474 2 51 . 1 1 66 66 LYS N N 15 0.761 0.016 . . . . . 6474 2 52 . 1 1 67 67 TRP N N 15 0.762 0.018 . . . . . 6474 2 53 . 1 1 68 68 GLU N N 15 0.751 0.010 . . . . . 6474 2 54 . 1 1 69 69 LEU N N 15 0.732 0.008 . . . . . 6474 2 55 . 1 1 70 70 VAL N N 15 0.716 0.018 . . . . . 6474 2 56 . 1 1 71 71 ASP N N 15 0.669 0.016 . . . . . 6474 2 57 . 1 1 72 72 MET N N 15 0.763 0.021 . . . . . 6474 2 58 . 1 1 73 73 GLY N N 15 0.736 0.011 . . . . . 6474 2 59 . 1 1 74 74 SER N N 15 0.647 0.037 . . . . . 6474 2 60 . 1 1 75 75 LEU N N 15 0.508 0.047 . . . . . 6474 2 61 . 1 1 76 76 ASN N N 15 0.637 0.037 . . . . . 6474 2 62 . 1 1 77 77 GLY N N 15 0.627 0.017 . . . . . 6474 2 63 . 1 1 78 78 THR N N 15 0.668 0.016 . . . . . 6474 2 64 . 1 1 79 79 LEU N N 15 0.705 0.024 . . . . . 6474 2 65 . 1 1 80 80 VAL N N 15 0.708 0.017 . . . . . 6474 2 66 . 1 1 81 81 ASN N N 15 0.727 0.026 . . . . . 6474 2 67 . 1 1 82 82 SER N N 15 0.561 0.031 . . . . . 6474 2 68 . 1 1 83 83 HIS N N 15 0.712 0.019 . . . . . 6474 2 69 . 1 1 84 84 SER N N 15 0.586 0.035 . . . . . 6474 2 70 . 1 1 85 85 ILE N N 15 0.653 0.020 . . . . . 6474 2 71 . 1 1 86 86 SER N N 15 0.660 0.024 . . . . . 6474 2 72 . 1 1 87 87 HIS N N 15 0.622 0.020 . . . . . 6474 2 73 . 1 1 89 89 ASP N N 15 0.647 0.028 . . . . . 6474 2 74 . 1 1 91 91 GLY N N 15 0.721 0.018 . . . . . 6474 2 75 . 1 1 92 92 SER N N 15 0.637 0.026 . . . . . 6474 2 76 . 1 1 93 93 ARG N N 15 0.568 0.014 . . . . . 6474 2 77 . 1 1 94 94 LYS N N 15 0.694 0.027 . . . . . 6474 2 78 . 1 1 95 95 TRP N N 15 0.711 0.029 . . . . . 6474 2 79 . 1 1 96 96 GLY N N 15 0.715 0.027 . . . . . 6474 2 80 . 1 1 97 97 ASN N N 15 0.782 0.041 . . . . . 6474 2 81 . 1 1 99 99 VAL N N 15 0.757 0.015 . . . . . 6474 2 82 . 1 1 100 100 GLU N N 15 0.840 0.035 . . . . . 6474 2 83 . 1 1 101 101 LEU N N 15 0.803 0.014 . . . . . 6474 2 84 . 1 1 102 102 ALA N N 15 0.882 0.022 . . . . . 6474 2 85 . 1 1 103 103 SER N N 15 0.845 0.022 . . . . . 6474 2 86 . 1 1 104 104 ASP N N 15 0.666 0.033 . . . . . 6474 2 87 . 1 1 105 105 ASP N N 15 0.796 0.021 . . . . . 6474 2 88 . 1 1 106 106 ILE N N 15 0.729 0.016 . . . . . 6474 2 89 . 1 1 107 107 ILE N N 15 0.760 0.025 . . . . . 6474 2 90 . 1 1 108 108 THR N N 15 0.723 0.013 . . . . . 6474 2 91 . 1 1 109 109 LEU N N 15 0.706 0.015 . . . . . 6474 2 92 . 1 1 110 110 GLY N N 15 0.684 0.030 . . . . . 6474 2 93 . 1 1 112 112 THR N N 15 0.550 0.021 . . . . . 6474 2 94 . 1 1 113 113 THR N N 15 0.567 0.032 . . . . . 6474 2 95 . 1 1 114 114 LYS N N 15 0.706 0.013 . . . . . 6474 2 96 . 1 1 115 115 VAL N N 15 0.875 0.048 . . . . . 6474 2 97 . 1 1 116 116 TYR N N 15 0.728 0.026 . . . . . 6474 2 98 . 1 1 117 117 VAL N N 15 0.752 0.049 . . . . . 6474 2 99 . 1 1 118 118 ARG N N 15 0.712 0.043 . . . . . 6474 2 100 . 1 1 120 120 SER N N 15 0.739 0.027 . . . . . 6474 2 101 . 1 1 121 121 SER N N 15 0.544 0.025 . . . . . 6474 2 102 . 1 1 122 122 GLN N N 15 0.564 0.012 . . . . . 6474 2 103 . 1 1 123 123 ASN N N 15 0.531 0.022 . . . . . 6474 2 104 . 1 1 124 124 GLU N N 15 0.726 0.012 . . . . . 6474 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_15N_T2_set_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_set_1 _Heteronucl_T2_list.Entry_ID 6474 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_one _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _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 . . 1 $sample_one . 6474 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 3 3 LEU N N 15 0.2031 0.0136 . . . . . . . 6474 1 2 . 1 1 4 4 GLY N N 15 0.1683 0.0071 . . . . . . . 6474 1 3 . 1 1 5 5 SER N N 15 0.0943 0.0028 . . . . . . . 6474 1 4 . 1 1 6 6 SER N N 15 0.0686 0.0011 . . . . . . . 6474 1 5 . 1 1 7 7 TRP N N 15 0.0701 0.0027 . . . . . . . 6474 1 6 . 1 1 8 8 LEU N N 15 0.0713 0.0015 . . . . . . . 6474 1 7 . 1 1 9 9 PHE N N 15 0.0702 0.0049 . . . . . . . 6474 1 8 . 1 1 10 10 LEU N N 15 0.0633 0.0030 . . . . . . . 6474 1 9 . 1 1 11 11 GLU N N 15 0.0715 0.0074 . . . . . . . 6474 1 10 . 1 1 12 12 VAL N N 15 0.0592 0.0050 . . . . . . . 6474 1 11 . 1 1 14 14 ALA N N 15 0.0706 0.0044 . . . . . . . 6474 1 12 . 1 1 15 15 GLY N N 15 0.0710 0.0010 . . . . . . . 6474 1 13 . 1 1 17 17 ALA N N 15 0.0667 0.0029 . . . . . . . 6474 1 14 . 1 1 18 18 ILE N N 15 0.0599 0.0018 . . . . . . . 6474 1 15 . 1 1 19 19 GLY N N 15 0.0582 0.0082 . . . . . . . 6474 1 16 . 1 1 20 20 LEU N N 15 0.0691 0.0068 . . . . . . . 6474 1 17 . 1 1 21 21 GLN N N 15 0.0812 0.0051 . . . . . . . 6474 1 18 . 1 1 22 22 HIS N N 15 0.0752 0.0054 . . . . . . . 6474 1 19 . 1 1 23 23 ALA N N 15 0.0697 0.0079 . . . . . . . 6474 1 20 . 1 1 24 24 VAL N N 15 0.0594 0.0022 . . . . . . . 6474 1 21 . 1 1 25 25 ASN N N 15 0.0780 0.0027 . . . . . . . 6474 1 22 . 1 1 26 26 SER N N 15 0.0617 0.0032 . . . . . . . 6474 1 23 . 1 1 27 27 THR N N 15 0.0604 0.0011 . . . . . . . 6474 1 24 . 1 1 28 28 SER N N 15 0.0667 0.0018 . . . . . . . 6474 1 25 . 1 1 29 29 SER N N 15 0.0640 0.0018 . . . . . . . 6474 1 26 . 1 1 31 31 LYS N N 15 0.0613 0.0015 . . . . . . . 6474 1 27 . 1 1 32 32 LEU N N 15 0.0713 0.0027 . . . . . . . 6474 1 28 . 1 1 34 34 VAL N N 15 0.0656 0.0012 . . . . . . . 6474 1 29 . 1 1 35 35 LYS N N 15 0.0780 0.0027 . . . . . . . 6474 1 30 . 1 1 37 37 GLY N N 15 0.0737 0.000968 . . . . . . . 6474 1 31 . 1 1 39 39 VAL N N 15 0.0544 0.0066 . . . . . . . 6474 1 32 . 1 1 42 42 SER N N 15 0.0645 0.0027 . . . . . . . 6474 1 33 . 1 1 44 44 LEU N N 15 0.0682 0.0036 . . . . . . . 6474 1 34 . 1 1 45 45 ALA N N 15 0.0650 0.0018 . . . . . . . 6474 1 35 . 1 1 46 46 LEU N N 15 0.0654 0.0030 . . . . . . . 6474 1 36 . 1 1 47 47 LYS N N 15 0.0728 0.0033 . . . . . . . 6474 1 37 . 1 1 50 50 GLU N N 15 0.0628 0.0034 . . . . . . . 6474 1 38 . 1 1 51 51 VAL N N 15 0.0504 0.0083 . . . . . . . 6474 1 39 . 1 1 54 54 LYS N N 15 0.0637 0.0024 . . . . . . . 6474 1 40 . 1 1 55 55 HIS N N 15 0.0770 0.0047 . . . . . . . 6474 1 41 . 1 1 56 56 ALA N N 15 0.0707 0.0029 . . . . . . . 6474 1 42 . 1 1 57 57 GLN N N 15 0.0833 0.0072 . . . . . . . 6474 1 43 . 1 1 58 58 ILE N N 15 0.0790 0.0039 . . . . . . . 6474 1 44 . 1 1 59 59 THR N N 15 0.0684 0.0020 . . . . . . . 6474 1 45 . 1 1 60 60 TRP N N 15 0.0687 0.0017 . . . . . . . 6474 1 46 . 1 1 61 61 ASN N N 15 0.0726 0.0013 . . . . . . . 6474 1 47 . 1 1 62 62 SER N N 15 0.0645 0.000927 . . . . . . . 6474 1 48 . 1 1 63 63 THR N N 15 0.0688 0.0013 . . . . . . . 6474 1 49 . 1 1 64 64 LYS N N 15 0.0677 0.0033 . . . . . . . 6474 1 50 . 1 1 65 65 PHE N N 15 0.0756 0.0011 . . . . . . . 6474 1 51 . 1 1 66 66 LYS N N 15 0.0709 0.0024 . . . . . . . 6474 1 52 . 1 1 67 67 TRP N N 15 0.0716 0.0024 . . . . . . . 6474 1 53 . 1 1 68 68 GLU N N 15 0.0695 0.0031 . . . . . . . 6474 1 54 . 1 1 69 69 LEU N N 15 0.0744 0.0034 . . . . . . . 6474 1 55 . 1 1 70 70 VAL N N 15 0.0799 0.0021 . . . . . . . 6474 1 56 . 1 1 71 71 ASP N N 15 0.0680 0.0038 . . . . . . . 6474 1 57 . 1 1 72 72 MET N N 15 0.0770 0.0024 . . . . . . . 6474 1 58 . 1 1 73 73 GLY N N 15 0.0700 0.0015 . . . . . . . 6474 1 59 . 1 1 74 74 SER N N 15 0.0571 0.0076 . . . . . . . 6474 1 60 . 1 1 75 75 LEU N N 15 0.0694 0.0067 . . . . . . . 6474 1 61 . 1 1 76 76 ASN N N 15 0.0468 0.0033 . . . . . . . 6474 1 62 . 1 1 77 77 GLY N N 15 0.0668 0.0023 . . . . . . . 6474 1 63 . 1 1 78 78 THR N N 15 0.0650 0.0017 . . . . . . . 6474 1 64 . 1 1 79 79 LEU N N 15 0.0641 0.0011 . . . . . . . 6474 1 65 . 1 1 80 80 VAL N N 15 0.0703 0.0023 . . . . . . . 6474 1 66 . 1 1 81 81 ASN N N 15 0.0636 0.0016 . . . . . . . 6474 1 67 . 1 1 82 82 SER N N 15 0.0412 0.0039 . . . . . . . 6474 1 68 . 1 1 83 83 HIS N N 15 0.0642 0.0022 . . . . . . . 6474 1 69 . 1 1 84 84 SER N N 15 0.0599 0.000896 . . . . . . . 6474 1 70 . 1 1 85 85 ILE N N 15 0.0672 0.0032 . . . . . . . 6474 1 71 . 1 1 86 86 SER N N 15 0.0638 0.0020 . . . . . . . 6474 1 72 . 1 1 87 87 HIS N N 15 0.0599 0.000456 . . . . . . . 6474 1 73 . 1 1 89 89 ASP N N 15 0.0628 0.0022 . . . . . . . 6474 1 74 . 1 1 91 91 GLY N N 15 0.0700 0.0035 . . . . . . . 6474 1 75 . 1 1 92 92 SER N N 15 0.0680 0.0014 . . . . . . . 6474 1 76 . 1 1 93 93 ARG N N 15 0.0507 0.0018 . . . . . . . 6474 1 77 . 1 1 94 94 LYS N N 15 0.0658 0.0024 . . . . . . . 6474 1 78 . 1 1 95 95 TRP N N 15 0.0658 0.0038 . . . . . . . 6474 1 79 . 1 1 96 96 GLY N N 15 0.0667 0.0017 . . . . . . . 6474 1 80 . 1 1 97 97 ASN N N 15 0.0677 0.0020 . . . . . . . 6474 1 81 . 1 1 99 99 VAL N N 15 0.0711 0.0015 . . . . . . . 6474 1 82 . 1 1 100 100 GLU N N 15 0.0790 0.000925 . . . . . . . 6474 1 83 . 1 1 101 101 LEU N N 15 0.0719 0.0023 . . . . . . . 6474 1 84 . 1 1 102 102 ALA N N 15 0.0636 0.0019 . . . . . . . 6474 1 85 . 1 1 103 103 SER N N 15 0.0682 0.0033 . . . . . . . 6474 1 86 . 1 1 104 104 ASP N N 15 0.0695 0.0033 . . . . . . . 6474 1 87 . 1 1 105 105 ASP N N 15 0.0634 0.0021 . . . . . . . 6474 1 88 . 1 1 106 106 ILE N N 15 0.0720 0.0022 . . . . . . . 6474 1 89 . 1 1 107 107 ILE N N 15 0.0749 0.0072 . . . . . . . 6474 1 90 . 1 1 108 108 THR N N 15 0.0688 0.0021 . . . . . . . 6474 1 91 . 1 1 109 109 LEU N N 15 0.0689 0.0030 . . . . . . . 6474 1 92 . 1 1 110 110 GLY N N 15 0.0639 0.0019 . . . . . . . 6474 1 93 . 1 1 112 112 THR N N 15 0.0578 0.0034 . . . . . . . 6474 1 94 . 1 1 113 113 THR N N 15 0.0863 0.0096 . . . . . . . 6474 1 95 . 1 1 114 114 LYS N N 15 0.0749 0.0048 . . . . . . . 6474 1 96 . 1 1 115 115 VAL N N 15 0.0755 0.0043 . . . . . . . 6474 1 97 . 1 1 116 116 TYR N N 15 0.0681 0.0027 . . . . . . . 6474 1 98 . 1 1 117 117 VAL N N 15 0.0604 0.0067 . . . . . . . 6474 1 99 . 1 1 118 118 ARG N N 15 0.0745 0.0069 . . . . . . . 6474 1 100 . 1 1 120 120 SER N N 15 0.0688 0.0028 . . . . . . . 6474 1 101 . 1 1 121 121 SER N N 15 0.0655 0.0017 . . . . . . . 6474 1 102 . 1 1 122 122 GLN N N 15 0.0880 0.0031 . . . . . . . 6474 1 103 . 1 1 123 123 ASN N N 15 0.1008 0.0015 . . . . . . . 6474 1 104 . 1 1 124 124 GLU N N 15 0.2250 0.0090 . . . . . . . 6474 1 stop_ save_ save_15N_T2_set_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_set_2 _Heteronucl_T2_list.Entry_ID 6474 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_one _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _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 . . 1 $sample_one . 6474 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 3 3 LEU N N 15 0.1863 0.0029 . . . . . . . 6474 2 2 . 1 1 4 4 GLY N N 15 0.1507 0.0020 . . . . . . . 6474 2 3 . 1 1 5 5 SER N N 15 0.0946 0.0010 . . . . . . . 6474 2 4 . 1 1 6 6 SER N N 15 0.0635 0.000948 . . . . . . . 6474 2 5 . 1 1 7 7 TRP N N 15 0.0581 0.000658 . . . . . . . 6474 2 6 . 1 1 8 8 LEU N N 15 0.0622 0.0013 . . . . . . . 6474 2 7 . 1 1 9 9 PHE N N 15 0.0535 0.000791 . . . . . . . 6474 2 8 . 1 1 10 10 LEU N N 15 0.0440 0.0020 . . . . . . . 6474 2 9 . 1 1 11 11 GLU N N 15 0.0431 0.000752 . . . . . . . 6474 2 10 . 1 1 12 12 VAL N N 15 0.0427 0.0012 . . . . . . . 6474 2 11 . 1 1 14 14 ALA N N 15 0.0576 0.0019 . . . . . . . 6474 2 12 . 1 1 15 15 GLY N N 15 0.0568 0.000938 . . . . . . . 6474 2 13 . 1 1 17 17 ALA N N 15 0.0562 0.000857 . . . . . . . 6474 2 14 . 1 1 18 18 ILE N N 15 0.0518 0.000598 . . . . . . . 6474 2 15 . 1 1 19 19 GLY N N 15 0.0475 0.0022 . . . . . . . 6474 2 16 . 1 1 20 20 LEU N N 15 0.0554 0.0022 . . . . . . . 6474 2 17 . 1 1 21 21 GLN N N 15 0.0700 0.0059 . . . . . . . 6474 2 18 . 1 1 22 22 HIS N N 15 0.0600 0.000745 . . . . . . . 6474 2 19 . 1 1 23 23 ALA N N 15 0.0484 0.0015 . . . . . . . 6474 2 20 . 1 1 24 24 VAL N N 15 0.0547 0.000478 . . . . . . . 6474 2 21 . 1 1 25 25 ASN N N 15 0.0612 0.0024 . . . . . . . 6474 2 22 . 1 1 26 26 SER N N 15 0.0519 0.000699 . . . . . . . 6474 2 23 . 1 1 27 27 THR N N 15 0.0559 0.000742 . . . . . . . 6474 2 24 . 1 1 28 28 SER N N 15 0.0613 0.000281 . . . . . . . 6474 2 25 . 1 1 29 29 SER N N 15 0.0591 0.000163 . . . . . . . 6474 2 26 . 1 1 31 31 LYS N N 15 0.0561 0.000418 . . . . . . . 6474 2 27 . 1 1 32 32 LEU N N 15 0.0602 0.000468 . . . . . . . 6474 2 28 . 1 1 34 34 VAL N N 15 0.0602 0.000832 . . . . . . . 6474 2 29 . 1 1 35 35 LYS N N 15 0.0736 0.000978 . . . . . . . 6474 2 30 . 1 1 36 36 LEU N N 15 0.0601 0.00058 . . . . . . . 6474 2 31 . 1 1 37 37 GLY N N 15 0.0573 0.000589 . . . . . . . 6474 2 32 . 1 1 39 39 VAL N N 15 0.0483 0.0011 . . . . . . . 6474 2 33 . 1 1 42 42 SER N N 15 0.0612 0.000463 . . . . . . . 6474 2 34 . 1 1 43 43 ASP N N 15 0.0569 0.000989 . . . . . . . 6474 2 35 . 1 1 44 44 LEU N N 15 0.0513 0.0013 . . . . . . . 6474 2 36 . 1 1 45 45 ALA N N 15 0.0564 0.000492 . . . . . . . 6474 2 37 . 1 1 46 46 LEU N N 15 0.0594 0.0011 . . . . . . . 6474 2 38 . 1 1 47 47 LYS N N 15 0.0550 0.0024 . . . . . . . 6474 2 39 . 1 1 48 48 ASP N N 15 0.0642 0.0023 . . . . . . . 6474 2 40 . 1 1 50 50 GLU N N 15 0.0618 0.000345 . . . . . . . 6474 2 41 . 1 1 51 51 VAL N N 15 0.0588 0.000718 . . . . . . . 6474 2 42 . 1 1 53 53 GLY N N 15 0.0495 0.0013 . . . . . . . 6474 2 43 . 1 1 54 54 LYS N N 15 0.0555 0.000562 . . . . . . . 6474 2 44 . 1 1 55 55 HIS N N 15 0.0608 0.0010 . . . . . . . 6474 2 45 . 1 1 56 56 ALA N N 15 0.0604 0.000476 . . . . . . . 6474 2 46 . 1 1 57 57 GLN N N 15 0.0616 0.000758 . . . . . . . 6474 2 47 . 1 1 58 58 ILE N N 15 0.0597 0.00058 . . . . . . . 6474 2 48 . 1 1 59 59 THR N N 15 0.0587 0.000466 . . . . . . . 6474 2 49 . 1 1 60 60 TRP N N 15 0.0612 0.000765 . . . . . . . 6474 2 50 . 1 1 61 61 ASN N N 15 0.0628 0.000587 . . . . . . . 6474 2 51 . 1 1 62 62 SER N N 15 0.0592 0.000692 . . . . . . . 6474 2 52 . 1 1 63 63 THR N N 15 0.0611 0.000313 . . . . . . . 6474 2 53 . 1 1 64 64 LYS N N 15 0.0596 0.000626 . . . . . . . 6474 2 54 . 1 1 65 65 PHE N N 15 0.0570 0.000544 . . . . . . . 6474 2 55 . 1 1 66 66 LYS N N 15 0.0618 0.000937 . . . . . . . 6474 2 56 . 1 1 67 67 TRP N N 15 0.0619 0.000877 . . . . . . . 6474 2 57 . 1 1 68 68 GLU N N 15 0.0585 0.0012 . . . . . . . 6474 2 58 . 1 1 69 69 LEU N N 15 0.0646 0.000816 . . . . . . . 6474 2 59 . 1 1 70 70 VAL N N 15 0.0571 0.000463 . . . . . . . 6474 2 60 . 1 1 71 71 ASP N N 15 0.0612 0.000826 . . . . . . . 6474 2 61 . 1 1 72 72 MET N N 15 0.0727 0.000489 . . . . . . . 6474 2 62 . 1 1 73 73 GLY N N 15 0.0550 0.000668 . . . . . . . 6474 2 63 . 1 1 74 74 SER N N 15 0.0528 0.000568 . . . . . . . 6474 2 64 . 1 1 75 75 LEU N N 15 0.0545 0.0016 . . . . . . . 6474 2 65 . 1 1 76 76 ASN N N 15 0.0556 0.000735 . . . . . . . 6474 2 66 . 1 1 77 77 GLY N N 15 0.0575 0.000834 . . . . . . . 6474 2 67 . 1 1 78 78 THR N N 15 0.0611 0.000696 . . . . . . . 6474 2 68 . 1 1 79 79 LEU N N 15 0.0574 0.0013 . . . . . . . 6474 2 69 . 1 1 80 80 VAL N N 15 0.0581 0.000381 . . . . . . . 6474 2 70 . 1 1 81 81 ASN N N 15 0.0588 0.000811 . . . . . . . 6474 2 71 . 1 1 82 82 SER N N 15 0.0317 0.000852 . . . . . . . 6474 2 72 . 1 1 83 83 HIS N N 15 0.0520 0.000343 . . . . . . . 6474 2 73 . 1 1 84 84 SER N N 15 0.0579 0.000787 . . . . . . . 6474 2 74 . 1 1 85 85 ILE N N 15 0.0578 0.000678 . . . . . . . 6474 2 75 . 1 1 86 86 SER N N 15 0.0588 0.000521 . . . . . . . 6474 2 76 . 1 1 87 87 HIS N N 15 0.0615 0.00071 . . . . . . . 6474 2 77 . 1 1 89 89 ASP N N 15 0.0617 0.000689 . . . . . . . 6474 2 78 . 1 1 91 91 GLY N N 15 0.0665 0.000493 . . . . . . . 6474 2 79 . 1 1 92 92 SER N N 15 0.0644 0.000795 . . . . . . . 6474 2 80 . 1 1 93 93 ARG N N 15 0.0579 0.00058 . . . . . . . 6474 2 81 . 1 1 94 94 LYS N N 15 0.0600 0.000459 . . . . . . . 6474 2 82 . 1 1 95 95 TRP N N 15 0.0582 0.0013 . . . . . . . 6474 2 83 . 1 1 96 96 GLY N N 15 0.0568 0.000727 . . . . . . . 6474 2 84 . 1 1 97 97 ASN N N 15 0.0670 0.000647 . . . . . . . 6474 2 85 . 1 1 99 99 VAL N N 15 0.0604 0.000392 . . . . . . . 6474 2 86 . 1 1 100 100 GLU N N 15 0.0696 0.000829 . . . . . . . 6474 2 87 . 1 1 101 101 LEU N N 15 0.0618 0.000458 . . . . . . . 6474 2 88 . 1 1 102 102 ALA N N 15 0.0576 0.000985 . . . . . . . 6474 2 89 . 1 1 103 103 SER N N 15 0.0639 0.000715 . . . . . . . 6474 2 90 . 1 1 104 104 ASP N N 15 0.0535 0.0020 . . . . . . . 6474 2 91 . 1 1 105 105 ASP N N 15 0.0516 0.000426 . . . . . . . 6474 2 92 . 1 1 106 106 ILE N N 15 0.0621 0.0012 . . . . . . . 6474 2 93 . 1 1 107 107 ILE N N 15 0.0520 0.0013 . . . . . . . 6474 2 94 . 1 1 108 108 THR N N 15 0.0604 0.0011 . . . . . . . 6474 2 95 . 1 1 109 109 LEU N N 15 0.0627 0.0011 . . . . . . . 6474 2 96 . 1 1 110 110 GLY N N 15 0.0607 0.0014 . . . . . . . 6474 2 97 . 1 1 112 112 THR N N 15 0.0575 0.0015 . . . . . . . 6474 2 98 . 1 1 113 113 THR N N 15 0.0569 0.0017 . . . . . . . 6474 2 99 . 1 1 114 114 LYS N N 15 0.0616 0.0023 . . . . . . . 6474 2 100 . 1 1 115 115 VAL N N 15 0.0550 0.0012 . . . . . . . 6474 2 101 . 1 1 116 116 TYR N N 15 0.0503 0.0011 . . . . . . . 6474 2 102 . 1 1 117 117 VAL N N 15 0.0382 0.0027 . . . . . . . 6474 2 103 . 1 1 118 118 ARG N N 15 0.0573 0.0021 . . . . . . . 6474 2 104 . 1 1 120 120 SER N N 15 0.0608 0.0013 . . . . . . . 6474 2 105 . 1 1 121 121 SER N N 15 0.0687 0.000874 . . . . . . . 6474 2 106 . 1 1 122 122 GLN N N 15 0.0688 0.000568 . . . . . . . 6474 2 107 . 1 1 123 123 ASN N N 15 0.0993 0.0022 . . . . . . . 6474 2 108 . 1 1 124 124 GLU N N 15 0.2109 0.0055 . . . . . . . 6474 2 stop_ save_ ###################### # Order parameters # ###################### save_S2_parameters_label _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_parameters_label _Order_parameter_list.Entry_ID 6474 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $condition_one _Order_parameter_list.Tau_e_val_units ns _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units ns _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID . . 1 $sample_one . 6474 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 LEU N N 15 0.260 . 0.480 0.038 . . . . . . . . . . . . . . . . . . . . . 6474 1 2 . 1 1 4 4 GLY N N 15 0.188 . 0.602 0.071 . . . . . . . . . . . . . . . . . . . . . 6474 1 3 . 1 1 5 5 SER N N 15 0.537 . 1.457 0.048 . . . . . . . . . . . . . . . . . . . . . 6474 1 4 . 1 1 6 6 SER N N 15 0.889 . 1.537 0.337 . . . . . . . . . . . . . . . . . . . . . 6474 1 5 . 1 1 7 7 TRP N N 15 0.994 . 0.075 0.350 . . . . . . . . . . . . . . . . . . . . . 6474 1 6 . 1 1 8 8 LEU N N 15 0.949 . 0.560 0.334 . . . . . . . . . . . . . . . . . . . . . 6474 1 7 . 1 1 9 9 PHE N N 15 0.960 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 8 . 1 1 10 10 LEU N N 15 0.866 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 9 . 1 1 11 11 GLU N N 15 0.992 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 10 . 1 1 12 12 VAL N N 15 0.913 . 0.039 0.056 . . . . . . . . . . . . . . . . . . . . . 6474 1 11 . 1 1 14 14 ALA N N 15 0.980 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 12 . 1 1 15 15 GLY N N 15 0.994 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 13 . 1 1 17 17 ALA N N 15 0.910 . 1.641 0.540 . . . . . . . . . . . . . . . . . . . . . 6474 1 14 . 1 1 18 18 ILE N N 15 0.921 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 15 . 1 1 19 19 GLY N N 15 0.929 . 0.223 0.134 . . . . . . . . . . . . . . . . . . . . . 6474 1 16 . 1 1 20 20 LEU N N 15 0.963 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 17 . 1 1 21 21 GLN N N 15 0.834 . 1.057 0.232 . . . . . . . . . . . . . . . . . . . . . 6474 1 18 . 1 1 22 22 HIS N N 15 0.908 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 19 . 1 1 23 23 ALA N N 15 0.958 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 20 . 1 1 24 24 VAL N N 15 0.996 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 21 . 1 1 25 25 ASN N N 15 0.993 . 0.139 0.476 . . . . . . . . . . . . . . . . . . . . . 6474 1 22 . 1 1 26 26 SER N N 15 0.985 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 23 . 1 1 27 27 THR N N 15 0.888 . 1.785 0.328 . . . . . . . . . . . . . . . . . . . . . 6474 1 24 . 1 1 28 28 SER N N 15 0.871 . 1.873 0.170 . . . . . . . . . . . . . . . . . . . . . 6474 1 25 . 1 1 29 29 SER N N 15 0.844 . 0.118 0.047 . . . . . . . . . . . . . . . . . . . . . 6474 1 26 . 1 1 31 31 LYS N N 15 0.981 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 27 . 1 1 32 32 LEU N N 15 0.969 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 28 . 1 1 34 34 VAL N N 15 0.996 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 29 . 1 1 35 35 LYS N N 15 0.852 . 0.030 0.009 . . . . . . . . . . . . . . . . . . . . . 6474 1 30 . 1 1 37 37 GLY N N 15 0.999 . 0.024 0.202 . . . . . . . . . . . . . . . . . . . . . 6474 1 31 . 1 1 39 39 VAL N N 15 0.972 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 32 . 1 1 42 42 SER N N 15 0.775 . 1.913 0.127 . . . . . . . . . . . . . . . . . . . . . 6474 1 33 . 1 1 44 44 LEU N N 15 0.949 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 34 . 1 1 45 45 ALA N N 15 0.882 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 35 . 1 1 46 46 LEU N N 15 0.992 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 36 . 1 1 47 47 LYS N N 15 0.985 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 37 . 1 1 50 50 GLU N N 15 0.869 . 1.606 0.449 . . . . . . . . . . . . . . . . . . . . . 6474 1 38 . 1 1 51 51 VAL N N 15 0.973 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 39 . 1 1 54 54 LYS N N 15 0.959 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 40 . 1 1 55 55 HIS N N 15 0.921 . 0.039 0.045 . . . . . . . . . . . . . . . . . . . . . 6474 1 41 . 1 1 56 56 ALA N N 15 0.997 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 42 . 1 1 57 57 GLN N N 15 0.965 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 43 . 1 1 58 58 ILE N N 15 0.997 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 44 . 1 1 59 59 THR N N 15 0.998 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 45 . 1 1 60 60 TRP N N 15 0.990 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 46 . 1 1 61 61 ASN N N 15 0.964 . 0.952 0.468 . . . . . . . . . . . . . . . . . . . . . 6474 1 47 . 1 1 62 62 SER N N 15 0.938 . 1.348 0.460 . . . . . . . . . . . . . . . . . . . . . 6474 1 48 . 1 1 63 63 THR N N 15 0.947 . 0.309 0.098 . . . . . . . . . . . . . . . . . . . . . 6474 1 49 . 1 1 64 64 LYS N N 15 0.995 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 50 . 1 1 65 65 PHE N N 15 1.000 . 0.000382 0.008 . . . . . . . . . . . . . . . . . . . . . 6474 1 51 . 1 1 66 66 LYS N N 15 0.975 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 52 . 1 1 67 67 TRP N N 15 0.999 . 0.027 0.217 . . . . . . . . . . . . . . . . . . . . . 6474 1 53 . 1 1 68 68 GLU N N 15 0.992 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 54 . 1 1 69 69 LEU N N 15 0.962 . 0.078 0.078 . . . . . . . . . . . . . . . . . . . . . 6474 1 55 . 1 1 70 70 VAL N N 15 0.997 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 56 . 1 1 71 71 ASP N N 15 1.000 . 0.001 0.014 . . . . . . . . . . . . . . . . . . . . . 6474 1 57 . 1 1 72 72 MET N N 15 0.855 . 0.061 0.011 . . . . . . . . . . . . . . . . . . . . . 6474 1 58 . 1 1 73 73 GLY N N 15 1.000 . 0.001 0.020 . . . . . . . . . . . . . . . . . . . . . 6474 1 59 . 1 1 75 75 LEU N N 15 0.988 . 0.015 0.055 . . . . . . . . . . . . . . . . . . . . . 6474 1 60 . 1 1 76 76 ASN N N 15 0.994 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 61 . 1 1 77 77 GLY N N 15 0.891 . 1.829 0.261 . . . . . . . . . . . . . . . . . . . . . 6474 1 62 . 1 1 78 78 THR N N 15 1.000 . 0.001 0.021 . . . . . . . . . . . . . . . . . . . . . 6474 1 63 . 1 1 79 79 LEU N N 15 0.991 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 64 . 1 1 80 80 VAL N N 15 0.997 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 65 . 1 1 81 81 ASN N N 15 0.995 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 66 . 1 1 82 82 SER N N 15 0.867 . 1.729 0.406 . . . . . . . . . . . . . . . . . . . . . 6474 1 67 . 1 1 83 83 HIS N N 15 0.991 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 68 . 1 1 84 84 SER N N 15 0.999 . 0.000347 0.004 . . . . . . . . . . . . . . . . . . . . . 6474 1 69 . 1 1 85 85 ILE N N 15 0.996 . 0.003 0.018 . . . . . . . . . . . . . . . . . . . . . 6474 1 70 . 1 1 86 86 SER N N 15 0.785 . 1.554 0.146 . . . . . . . . . . . . . . . . . . . . . 6474 1 71 . 1 1 87 87 HIS N N 15 0.911 . 1.753 0.408 . . . . . . . . . . . . . . . . . . . . . 6474 1 72 . 1 1 89 89 ASP N N 15 0.971 . 0.330 0.128 . . . . . . . . . . . . . . . . . . . . . 6474 1 73 . 1 1 91 91 GLY N N 15 0.831 . 0.626 0.114 . . . . . . . . . . . . . . . . . . . . . 6474 1 74 . 1 1 92 92 SER N N 15 0.931 . 1.345 0.598 . . . . . . . . . . . . . . . . . . . . . 6474 1 75 . 1 1 93 93 ARG N N 15 0.730 . 1.898 0.137 . . . . . . . . . . . . . . . . . . . . . 6474 1 76 . 1 1 94 94 LYS N N 15 0.890 . 1.344 0.351 . . . . . . . . . . . . . . . . . . . . . 6474 1 77 . 1 1 95 95 TRP N N 15 0.988 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 78 . 1 1 96 96 GLY N N 15 0.986 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 79 . 1 1 97 97 ASN N N 15 0.894 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 80 . 1 1 99 99 VAL N N 15 0.998 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 81 . 1 1 100 100 GLU N N 15 0.887 . 0.061 0.019 . . . . . . . . . . . . . . . . . . . . . 6474 1 82 . 1 1 101 101 LEU N N 15 0.962 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 83 . 1 1 102 102 ALA N N 15 0.875 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 84 . 1 1 103 103 SER N N 15 0.911 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 85 . 1 1 104 104 ASP N N 15 0.987 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 86 . 1 1 105 105 ASP N N 15 0.968 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 87 . 1 1 106 106 ILE N N 15 0.989 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 88 . 1 1 107 107 ILE N N 15 0.945 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 89 . 1 1 108 108 THR N N 15 0.998 . 0.059 0.298 . . . . . . . . . . . . . . . . . . . . . 6474 1 90 . 1 1 109 109 LEU N N 15 0.995 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 91 . 1 1 110 110 GLY N N 15 0.992 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 92 . 1 1 112 112 THR N N 15 0.743 . 1.882 0.161 . . . . . . . . . . . . . . . . . . . . . 6474 1 93 . 1 1 114 114 LYS N N 15 0.994 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 94 . 1 1 115 115 VAL N N 15 0.839 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 95 . 1 1 116 116 TYR N N 15 0.977 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 96 . 1 1 117 117 VAL N N 15 0.979 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 97 . 1 1 118 118 ARG N N 15 0.989 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 98 . 1 1 120 120 SER N N 15 0.993 . . . . . . . . . . . . . . . . . . . . . . . . 6474 1 99 . 1 1 121 121 SER N N 15 0.744 . 1.872 0.173 . . . . . . . . . . . . . . . . . . . . . 6474 1 100 . 1 1 122 122 GLN N N 15 0.639 . 1.491 0.097 . . . . . . . . . . . . . . . . . . . . . 6474 1 101 . 1 1 123 123 ASN N N 15 0.486 . 1.786 0.099 . . . . . . . . . . . . . . . . . . . . . 6474 1 stop_ save_