data_5841 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5841 _Entry.Title ; 15N T1 and T2 relaxation rates, 1H{15N} NOE, and Hydrogen/Deuterium exchange data of kinase-interacting FHA domain of Arabidopsis kinase associasted protein phosphatase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-24 _Entry.Accession_date 2003-06-25 _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 . . . 5841 2 Gui-in Lee . . . 5841 3 Xiangyang Liang . . . 5841 4 Fabio Gallazzi . . . 5841 5 Steven 'Van Doren' . R. . 5841 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID order_parameters 1 5841 H_exch_rates 1 5841 H_exch_protection_factors 1 5841 heteronucl_T1_relaxation 2 5841 heteronucl_T2_relaxation 2 5841 heteronucl_NOEs 2 5841 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 215 5841 'T2 relaxation values' 208 5841 'order parameters' 104 5841 'H exchange rates' 43 5841 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-06-09 . update author 'update the data tables' 5841 2 . . 2005-01-24 . update author 'update the data tables' 5841 3 . . 2003-10-03 . original author 'original release' 5841 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 protein' 5841 BMRB 6474 'relaxation data of CLV1 pT868 bound KI-FHA from KAPP' 5841 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5841 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22538551 _Citation.DOI . _Citation.PubMed_ID 12652139 _Citation.Full_citation . _Citation.Title ; 1H, (13)C and (15)N Resonance Assignments of the Kinase-interacting FHA Domain of Arabidopsis thaliana Kinase-associated Protein Phophatase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 3 _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 253 _Citation.Page_last 254 _Citation.Year 2003 _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 Gui-in Lee . . . 5841 1 2 Jia Li . . . 5841 1 3 John Walker . C. . 5841 1 4 Steven 'Van Doren' . R. . 5841 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'phosphoprotein binding module' 5841 1 '15N relaxation' 5841 1 'hydrogen exchange' 5841 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_KAPP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_KAPP _Assembly.Entry_ID 5841 _Assembly.ID 1 _Assembly.Name 'kinase associated protein phosphatase, kinase interaction domain' _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 3.1.3.16 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5841 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 $KAPP . . . native . . . . . 5841 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1MZK . . . . . . 5841 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'kinase associated protein phosphatase, kinase interaction domain' system 5841 1 KAPP abbreviation 5841 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'phosphoprotein binding domain of KAPP' 5841 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KAPP _Entity.Sf_category entity _Entity.Sf_framecode KAPP _Entity.Entry_ID 5841 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'kinase associated protein phosphatase' _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This molecule has five residue linker G-P-L-G-S, originated from Glutathione-S-transferase tag at N terminus. ; _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 . . . . 5841 1 . . SWISS-PROT P46014 . 'Kinase-associated protein phosphatase' . . . . . 96.40 581 100.00 100.00 1.10e-72 . . . . 5841 1 . . GenBank AAK76527 . 'putative kinase associated protein phosphatase [Arabidopsis thaliana]' . . . . . 96.40 581 100.00 100.00 1.10e-72 . . . . 5841 1 . . GenBank AAM51227 . 'putative kinase associated protein phosphatase [Arabidopsis thaliana]' . . . . . 96.40 581 100.00 100.00 1.10e-72 . . . . 5841 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 . . . . 5841 1 . . GenBank AAB38148 . 'kinase associated protein phosphatase' . . . . . 96.40 581 100.00 100.00 1.10e-72 . . . . 5841 1 . . BMRB 5564 . 'kinase associated protein phosphatase' . . . . . 100.00 139 100.00 100.00 4.02e-74 . . . . 5841 1 . . BMRB 6474 . 'Kinase Interacting FHA (KI-FHA) domain from KAPP' . . . . . 100.00 139 100.00 100.00 4.02e-74 . . . . 5841 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'kinase associated protein phosphatase' common 5841 1 KAPP abbreviation 5841 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 . 5841 1 2 2 PRO . 5841 1 3 3 LEU . 5841 1 4 4 GLY . 5841 1 5 5 SER . 5841 1 6 180 SER . 5841 1 7 181 TRP . 5841 1 8 182 LEU . 5841 1 9 183 PHE . 5841 1 10 184 LEU . 5841 1 11 185 GLU . 5841 1 12 186 VAL . 5841 1 13 187 ILE . 5841 1 14 188 ALA . 5841 1 15 189 GLY . 5841 1 16 190 PRO . 5841 1 17 191 ALA . 5841 1 18 192 ILE . 5841 1 19 193 GLY . 5841 1 20 194 LEU . 5841 1 21 195 GLN . 5841 1 22 196 HIS . 5841 1 23 197 ALA . 5841 1 24 198 VAL . 5841 1 25 199 ASN . 5841 1 26 200 SER . 5841 1 27 201 THR . 5841 1 28 202 SER . 5841 1 29 203 SER . 5841 1 30 204 SER . 5841 1 31 205 LYS . 5841 1 32 206 LEU . 5841 1 33 207 PRO . 5841 1 34 208 VAL . 5841 1 35 209 LYS . 5841 1 36 210 LEU . 5841 1 37 211 GLY . 5841 1 38 212 ARG . 5841 1 39 213 VAL . 5841 1 40 214 SER . 5841 1 41 215 PRO . 5841 1 42 216 SER . 5841 1 43 217 ASP . 5841 1 44 218 LEU . 5841 1 45 219 ALA . 5841 1 46 220 LEU . 5841 1 47 221 LYS . 5841 1 48 222 ASP . 5841 1 49 223 SER . 5841 1 50 224 GLU . 5841 1 51 225 VAL . 5841 1 52 226 SER . 5841 1 53 227 GLY . 5841 1 54 228 LYS . 5841 1 55 229 HIS . 5841 1 56 230 ALA . 5841 1 57 231 GLN . 5841 1 58 232 ILE . 5841 1 59 233 THR . 5841 1 60 234 TRP . 5841 1 61 235 ASN . 5841 1 62 236 SER . 5841 1 63 237 THR . 5841 1 64 238 LYS . 5841 1 65 239 PHE . 5841 1 66 240 LYS . 5841 1 67 241 TRP . 5841 1 68 242 GLU . 5841 1 69 243 LEU . 5841 1 70 244 VAL . 5841 1 71 245 ASP . 5841 1 72 246 MET . 5841 1 73 247 GLY . 5841 1 74 248 SER . 5841 1 75 249 LEU . 5841 1 76 250 ASN . 5841 1 77 251 GLY . 5841 1 78 252 THR . 5841 1 79 253 LEU . 5841 1 80 254 VAL . 5841 1 81 255 ASN . 5841 1 82 256 SER . 5841 1 83 257 HIS . 5841 1 84 258 SER . 5841 1 85 259 ILE . 5841 1 86 260 SER . 5841 1 87 261 HIS . 5841 1 88 262 PRO . 5841 1 89 263 ASP . 5841 1 90 264 LEU . 5841 1 91 265 GLY . 5841 1 92 266 SER . 5841 1 93 267 ARG . 5841 1 94 268 LYS . 5841 1 95 269 TRP . 5841 1 96 270 GLY . 5841 1 97 271 ASN . 5841 1 98 272 PRO . 5841 1 99 273 VAL . 5841 1 100 274 GLU . 5841 1 101 275 LEU . 5841 1 102 276 ALA . 5841 1 103 277 SER . 5841 1 104 278 ASP . 5841 1 105 279 ASP . 5841 1 106 280 ILE . 5841 1 107 281 ILE . 5841 1 108 282 THR . 5841 1 109 283 LEU . 5841 1 110 284 GLY . 5841 1 111 285 THR . 5841 1 112 286 THR . 5841 1 113 287 THR . 5841 1 114 288 LYS . 5841 1 115 289 VAL . 5841 1 116 290 TYR . 5841 1 117 291 VAL . 5841 1 118 292 ARG . 5841 1 119 293 ILE . 5841 1 120 294 SER . 5841 1 121 295 SER . 5841 1 122 296 GLN . 5841 1 123 297 ASN . 5841 1 124 298 GLU . 5841 1 125 299 PHE . 5841 1 126 300 GLN . 5841 1 127 301 ILE . 5841 1 128 302 PRO . 5841 1 129 303 PHE . 5841 1 130 304 LYS . 5841 1 131 305 ILE . 5841 1 132 306 GLY . 5841 1 133 307 VAL . 5841 1 134 308 ALA . 5841 1 135 309 SER . 5841 1 136 310 ASP . 5841 1 137 311 PRO . 5841 1 138 312 MET . 5841 1 139 313 ALA . 5841 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 5841 1 . PRO 2 2 5841 1 . LEU 3 3 5841 1 . GLY 4 4 5841 1 . SER 5 5 5841 1 . SER 6 6 5841 1 . TRP 7 7 5841 1 . LEU 8 8 5841 1 . PHE 9 9 5841 1 . LEU 10 10 5841 1 . GLU 11 11 5841 1 . VAL 12 12 5841 1 . ILE 13 13 5841 1 . ALA 14 14 5841 1 . GLY 15 15 5841 1 . PRO 16 16 5841 1 . ALA 17 17 5841 1 . ILE 18 18 5841 1 . GLY 19 19 5841 1 . LEU 20 20 5841 1 . GLN 21 21 5841 1 . HIS 22 22 5841 1 . ALA 23 23 5841 1 . VAL 24 24 5841 1 . ASN 25 25 5841 1 . SER 26 26 5841 1 . THR 27 27 5841 1 . SER 28 28 5841 1 . SER 29 29 5841 1 . SER 30 30 5841 1 . LYS 31 31 5841 1 . LEU 32 32 5841 1 . PRO 33 33 5841 1 . VAL 34 34 5841 1 . LYS 35 35 5841 1 . LEU 36 36 5841 1 . GLY 37 37 5841 1 . ARG 38 38 5841 1 . VAL 39 39 5841 1 . SER 40 40 5841 1 . PRO 41 41 5841 1 . SER 42 42 5841 1 . ASP 43 43 5841 1 . LEU 44 44 5841 1 . ALA 45 45 5841 1 . LEU 46 46 5841 1 . LYS 47 47 5841 1 . ASP 48 48 5841 1 . SER 49 49 5841 1 . GLU 50 50 5841 1 . VAL 51 51 5841 1 . SER 52 52 5841 1 . GLY 53 53 5841 1 . LYS 54 54 5841 1 . HIS 55 55 5841 1 . ALA 56 56 5841 1 . GLN 57 57 5841 1 . ILE 58 58 5841 1 . THR 59 59 5841 1 . TRP 60 60 5841 1 . ASN 61 61 5841 1 . SER 62 62 5841 1 . THR 63 63 5841 1 . LYS 64 64 5841 1 . PHE 65 65 5841 1 . LYS 66 66 5841 1 . TRP 67 67 5841 1 . GLU 68 68 5841 1 . LEU 69 69 5841 1 . VAL 70 70 5841 1 . ASP 71 71 5841 1 . MET 72 72 5841 1 . GLY 73 73 5841 1 . SER 74 74 5841 1 . LEU 75 75 5841 1 . ASN 76 76 5841 1 . GLY 77 77 5841 1 . THR 78 78 5841 1 . LEU 79 79 5841 1 . VAL 80 80 5841 1 . ASN 81 81 5841 1 . SER 82 82 5841 1 . HIS 83 83 5841 1 . SER 84 84 5841 1 . ILE 85 85 5841 1 . SER 86 86 5841 1 . HIS 87 87 5841 1 . PRO 88 88 5841 1 . ASP 89 89 5841 1 . LEU 90 90 5841 1 . GLY 91 91 5841 1 . SER 92 92 5841 1 . ARG 93 93 5841 1 . LYS 94 94 5841 1 . TRP 95 95 5841 1 . GLY 96 96 5841 1 . ASN 97 97 5841 1 . PRO 98 98 5841 1 . VAL 99 99 5841 1 . GLU 100 100 5841 1 . LEU 101 101 5841 1 . ALA 102 102 5841 1 . SER 103 103 5841 1 . ASP 104 104 5841 1 . ASP 105 105 5841 1 . ILE 106 106 5841 1 . ILE 107 107 5841 1 . THR 108 108 5841 1 . LEU 109 109 5841 1 . GLY 110 110 5841 1 . THR 111 111 5841 1 . THR 112 112 5841 1 . THR 113 113 5841 1 . LYS 114 114 5841 1 . VAL 115 115 5841 1 . TYR 116 116 5841 1 . VAL 117 117 5841 1 . ARG 118 118 5841 1 . ILE 119 119 5841 1 . SER 120 120 5841 1 . SER 121 121 5841 1 . GLN 122 122 5841 1 . ASN 123 123 5841 1 . GLU 124 124 5841 1 . PHE 125 125 5841 1 . GLN 126 126 5841 1 . ILE 127 127 5841 1 . PRO 128 128 5841 1 . PHE 129 129 5841 1 . LYS 130 130 5841 1 . ILE 131 131 5841 1 . GLY 132 132 5841 1 . VAL 133 133 5841 1 . ALA 134 134 5841 1 . SER 135 135 5841 1 . ASP 136 136 5841 1 . PRO 137 137 5841 1 . MET 138 138 5841 1 . ALA 139 139 5841 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5841 _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 $KAPP . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . 'pGEX 6P-1' . . . . . . 5841 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 5841 _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 $KAPP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli DH5a . . . . . . . . . . . . plasmid . . pGEX6P-1 . . . . . . 5841 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 5841 _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 associated protein phosphatase' '[U-99% 15N]' . . 1 $KAPP . . 0.6 . . mM . . . . 5841 1 2 NaCl . . . . . . . 120 . . mM . . . . 5841 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 5841 _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 0.2 pH 5841 1 temperature 298 1 K 5841 1 'ionic strength' 0.12 . M 5841 1 stop_ save_ save_condition_two _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_two _Sample_condition_list.Entry_ID 5841 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'The sample was lyophilized and redissolved in the same volume of D2O.' 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 0.2 pH 5841 2 temperature 293 1 K 5841 2 'ionic strength' 0.12 . M 5841 2 stop_ save_ ############################ # Computer software used # ############################ save_Sybyl_TRIAD _Software.Sf_category software _Software.Sf_framecode Sybyl_TRIAD _Software.Entry_ID 5841 _Software.ID 1 _Software.Name 'Sybyl TRIAD' _Software.Version 6.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5841 1 stop_ save_ save_Kaleidograph_for_windows _Software.Sf_category software _Software.Sf_framecode Kaleidograph_for_windows _Software.Entry_ID 5841 _Software.ID 2 _Software.Name 'Kaleidograph for windows' _Software.Version 3.08 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'R1, R2, Hydrogen exchange data fitting' 5841 2 stop_ save_ save_Modelfree _Software.Sf_category software _Software.Sf_framecode Modelfree _Software.Entry_ID 5841 _Software.ID 3 _Software.Name Modelfree _Software.Version 4.1 _Software.Details 'Copyright 1998, Arthur G. Palmer, III' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "for optimizing 'Lipari-Szabo model free' parameters to heteronuclear relaxation data" 5841 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5841 _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 5841 _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 5841 _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 . . . 5841 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5841 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 5841 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 2 '15N T2 relaxation' . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 3 'heteronuclear 1H-15N NOE' . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 4 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 5841 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 5841 _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 5841 _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 5841 _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 5841 _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_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rate_set_1 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rate_set_1 _H_exch_rate_list.Entry_ID 5841 _H_exch_rate_list.ID 1 _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $condition_one _H_exch_rate_list.Val_units min-1 _H_exch_rate_list.Details ; The hyrogen exchange rates of the following residues are uncertain due to the spectral overlaps: 49 SER, 61 ASN, 72 MET, 73 GLY, and 90 LEU. ; _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID . . 1 $sample_one . 5841 1 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 8 8 LEU H . . 0.00623 . . 0.00024 . . . . . 5841 1 2 . 1 1 9 9 PHE H . . 0.00652 . . 0.00023 . . . . . 5841 1 3 . 1 1 10 10 LEU H . . 0.00537 . . 0.00021 . . . . . 5841 1 4 . 1 1 11 11 GLU H . . 0.00698 . . 0.00017 . . . . . 5841 1 5 . 1 1 12 12 VAL H . . 0.01150 . . 0.00077 . . . . . 5841 1 6 . 1 1 18 18 ILE H . . 0.54500 . . 0.01482 . . . . . 5841 1 7 . 1 1 20 20 LEU H . . 0.07411 . . 0.00481 . . . . . 5841 1 8 . 1 1 22 22 HIS H . . 0.23170 . . 0.00652 . . . . . 5841 1 9 . 1 1 34 34 VAL H . . 0.02290 . . 0.00083 . . . . . 5841 1 10 . 1 1 46 46 LEU H . . 0.20290 . . 0.00861 . . . . . 5841 1 11 . 1 1 49 49 SER H . . 0.03331 . . 0.000893 . . . . . 5841 1 12 . 1 1 56 56 ALA H . . 0.04199 . . 0.00122 . . . . . 5841 1 13 . 1 1 57 57 GLN H . . 0.01319 . . 0.00030 . . . . . 5841 1 14 . 1 1 58 58 ILE H . . 0.00860 . . 0.00023 . . . . . 5841 1 15 . 1 1 59 59 THR H . . 0.01194 . . 0.00020 . . . . . 5841 1 16 . 1 1 61 61 ASN H . . 0.01739 . . 0.00051 . . . . . 5841 1 17 . 1 1 65 65 PHE H . . 0.26760 . . 0.00629 . . . . . 5841 1 18 . 1 1 66 66 LYS H . . 0.00805 . . 0.00017 . . . . . 5841 1 19 . 1 1 69 69 LEU H . . 0.00652 . . 0.00086 . . . . . 5841 1 20 . 1 1 70 70 VAL H . . 0.06297 . . 0.00377 . . . . . 5841 1 21 . 1 1 71 71 ASP H . . 0.06084 . . 0.00135 . . . . . 5841 1 22 . 1 1 72 72 MET H . . 0.24570 . . 0.00656 . . . . . 5841 1 23 . 1 1 73 73 GLY H . . 0.11480 . . 0.00382 . . . . . 5841 1 24 . 1 1 77 77 GLY H . . 0.36410 . . 0.00976 . . . . . 5841 1 25 . 1 1 78 78 THR H . . 0.77850 . . 0.01826 . . . . . 5841 1 26 . 1 1 79 79 LEU H . . 0.07048 . . 0.00118 . . . . . 5841 1 27 . 1 1 80 80 VAL H . . 0.14390 . . 0.00255 . . . . . 5841 1 28 . 1 1 90 90 LEU H . . 0.2016 . . 0.00668 . . . . . 5841 1 29 . 1 1 99 99 VAL H . . 0.02199 . . 0.00062 . . . . . 5841 1 30 . 1 1 101 101 LEU H . . 0.00858 . . 0.00022 . . . . . 5841 1 31 . 1 1 102 102 ALA H . . 0.01745 . . 0.00046 . . . . . 5841 1 32 . 1 1 104 104 ASP H . . 0.00847 . . 0.00028 . . . . . 5841 1 33 . 1 1 105 105 ASP H . . 0.00866 . . 0.00019 . . . . . 5841 1 34 . 1 1 106 106 ILE H . . 0.00851 . . 0.00018 . . . . . 5841 1 35 . 1 1 107 107 ILE H . . 0.00600 . . 0.00029 . . . . . 5841 1 36 . 1 1 108 108 THR H . . 0.01352 . . 0.00048 . . . . . 5841 1 37 . 1 1 110 110 GLY H . . 0.08406 . . 0.00201 . . . . . 5841 1 38 . 1 1 113 113 THR H . . 0.10940 . . 0.00205 . . . . . 5841 1 39 . 1 1 114 114 LYS H . . 0.01311 . . 0.00044 . . . . . 5841 1 40 . 1 1 115 115 VAL H . . 0.00639 . . 0.00050 . . . . . 5841 1 41 . 1 1 116 116 TYR H . . 0.00657 . . 0.00028 . . . . . 5841 1 42 . 1 1 117 117 VAL H . . 0.00646 . . 0.00025 . . . . . 5841 1 43 . 1 1 118 118 ARG H . . 0.01082 . . 0.00026 . . . . . 5841 1 stop_ save_ ########################################## # Hydrogen exchange protection factors # ########################################## save_H_exchange_protection_factor_1 _H_exch_protection_factor_list.Sf_category H_exch_protection_factors _H_exch_protection_factor_list.Sf_framecode H_exchange_protection_factor_1 _H_exch_protection_factor_list.Entry_ID 5841 _H_exch_protection_factor_list.ID 1 _H_exch_protection_factor_list.Sample_condition_list_ID 1 _H_exch_protection_factor_list.Sample_condition_list_label $condition_one _H_exch_protection_factor_list.Std_values_source_cit_ID 1 _H_exch_protection_factor_list.Std_values_source_cit_label $entry_citation _H_exch_protection_factor_list.Details ; The hyrogen exchange protection factors of the following residues are uncertain due to the spectral overlaps: 49 SER, 61 ASN, 72 MET, 73 GLY, and 90 LEU. ; _H_exch_protection_factor_list.Text_data_format . _H_exch_protection_factor_list.Text_data . loop_ _H_exch_protection_factor.ID _H_exch_protection_factor.Assembly_atom_ID _H_exch_protection_factor.Entity_assembly_ID _H_exch_protection_factor.Entity_ID _H_exch_protection_factor.Comp_index_ID _H_exch_protection_factor.Seq_ID _H_exch_protection_factor.Comp_ID _H_exch_protection_factor.Atom_ID _H_exch_protection_factor.Atom_type _H_exch_protection_factor.Atom_isotope_number _H_exch_protection_factor.Calculated_intrinsic_rate _H_exch_protection_factor.Val _H_exch_protection_factor.Val_err _H_exch_protection_factor.Resonance_ID _H_exch_protection_factor.Auth_entity_assembly_ID _H_exch_protection_factor.Auth_seq_ID _H_exch_protection_factor.Auth_comp_ID _H_exch_protection_factor.Auth_atom_ID _H_exch_protection_factor.Entry_ID _H_exch_protection_factor.H_exch_protection_factor_list_ID 1 . 1 1 8 8 LEU H . . . 18.703 3003.527 . . . . . 5841 1 2 . 1 1 9 9 PHE H . . . 34.358 5271.220 . . . . . 5841 1 3 . 1 1 10 10 LEU H . . . 28.883 5374.573 . . . . . 5841 1 4 . 1 1 11 11 GLU H . . . 108.178 15504.920 . . . . . 5841 1 5 . 1 1 12 12 VAL H . . . 48.309 4200.759 . . . . . 5841 1 6 . 1 1 14 14 ALA H . . . 58.526 3069.007 . . . . . 5841 1 7 . 1 1 18 18 ILE H . . . 16.825 30.871 . . . . . 5841 1 8 . 1 1 20 20 LEU H . . . 37.901 511.412 . . . . . 5841 1 9 . 1 1 22 22 HIS H . . . 127.425 549.957 . . . . . 5841 1 10 . 1 1 34 34 VAL H . . . 9.309 406.506 . . . . . 5841 1 11 . 1 1 46 46 LEU H . . . 24.835 122.402 . . . . . 5841 1 12 . 1 1 49 49 SER H . . . 954.462 28653.935 . . . . . 5841 1 13 . 1 1 56 56 ALA H . . . 139.894 3331.597 . . . . . 5841 1 14 . 1 1 57 57 GLN H . . . 116.050 8798.314 . . . . . 5841 1 15 . 1 1 58 58 ILE H . . . 28.170 3275.525 . . . . . 5841 1 16 . 1 1 59 59 THR H . . . 49.486 4144.568 . . . . . 5841 1 17 . 1 1 61 61 ASN H . . . 244.350 14051.230 . . . . . 5841 1 18 . 1 1 65 65 PHE H . . . 76.005 284.024 . . . . . 5841 1 19 . 1 1 66 66 LYS H . . . 105.672 13123.688 . . . . . 5841 1 20 . 1 1 69 69 LEU H . . . 64.379 9871.107 . . . . . 5841 1 21 . 1 1 70 70 VAL H . . . 10.179 161.652 . . . . . 5841 1 22 . 1 1 71 71 ASP H . . . 362.128 5952.138 . . . . . 5841 1 23 . 1 1 72 72 MET H . . . 397.197 1616.594 . . . . . 5841 1 24 . 1 1 73 73 GLY H . . . 244.350 2128.492 . . . . . 5841 1 25 . 1 1 77 77 GLY H . . . 397.197 1090.901 . . . . . 5841 1 26 . 1 1 78 78 THR H . . . 127.425 163.680 . . . . . 5841 1 27 . 1 1 79 79 LEU H . . . 40.778 578.575 . . . . . 5841 1 28 . 1 1 80 80 VAL H . . . 10.179 70.738 . . . . . 5841 1 29 . 1 1 90 90 LEU H . . . 105.671 524.166 . . . . . 5841 1 30 . 1 1 99 99 VAL H . . . 9.309 423.328 . . . . . 5841 1 31 . 1 1 101 101 LEU H . . . 64.379 7507.797 . . . . . 5841 1 32 . 1 1 102 102 ALA H . . . 61.386 3517.808 . . . . . 5841 1 33 . 1 1 104 104 ASP H . . . 999.490 118031.413 . . . . . 5841 1 34 . 1 1 105 105 ASP H . . . 1995.052 230269.196 . . . . . 5841 1 35 . 1 1 106 106 ILE H . . . 74.228 8723.441 . . . . . 5841 1 36 . 1 1 107 107 ILE H . . . 8.760 1459.788 . . . . . 5841 1 37 . 1 1 108 108 THR H . . . 49.486 3660.217 . . . . . 5841 1 38 . 1 1 110 110 GLY H . . . 116.050 1380.559 . . . . . 5841 1 39 . 1 1 113 113 THR H . . . 136.668 1249.254 . . . . . 5841 1 40 . 1 1 114 114 LYS H . . . 146.571 11180.079 . . . . . 5841 1 41 . 1 1 115 115 VAL H . . . 415.979 65139.271 . . . . . 5841 1 42 . 1 1 116 116 TYR H . . . 37.901 5773.148 . . . . . 5841 1 43 . 1 1 117 117 VAL H . . . 20.759 3213.418 . . . . . 5841 1 44 . 1 1 118 118 ARG H . . . 87.565 8092.892 . . . . . 5841 1 stop_ 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 5841 _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 . 5841 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 -0.318 0.002 . . . . . . . . . . 5841 1 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 -0.115 0.005 . . . . . . . . . . 5841 1 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.376 0.005 . . . . . . . . . . 5841 1 4 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.725 0.050 . . . . . . . . . . 5841 1 5 . 1 1 7 7 TRP N N 15 . 1 1 7 7 TRP H H 1 0.820 0.121 . . . . . . . . . . 5841 1 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.718 0.021 . . . . . . . . . . 5841 1 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.792 0.037 . . . . . . . . . . 5841 1 8 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.748 0.040 . . . . . . . . . . 5841 1 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.533 0.043 . . . . . . . . . . 5841 1 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.811 0.075 . . . . . . . . . . 5841 1 11 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.797 0.004 . . . . . . . . . . 5841 1 12 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.816 0.013 . . . . . . . . . . 5841 1 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.825 0.041 . . . . . . . . . . 5841 1 14 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.775 0.018 . . . . . . . . . . 5841 1 15 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.730 0.0003527 . . . . . . . . . . 5841 1 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.749 0.004 . . . . . . . . . . 5841 1 17 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.719 0.018 . . . . . . . . . . 5841 1 18 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.753 0.032 . . . . . . . . . . 5841 1 19 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.821 0.121 . . . . . . . . . . 5841 1 20 . 1 1 24 24 VAL N N 15 . 1 1 24 24 VAL H H 1 0.757 0.010 . . . . . . . . . . 5841 1 21 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.690 0.0006985 . . . . . . . . . . 5841 1 22 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 0.774 0.003 . . . . . . . . . . 5841 1 23 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.806 0.039 . . . . . . . . . . 5841 1 24 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.759 0.023 . . . . . . . . . . 5841 1 25 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.558 0.021 . . . . . . . . . . 5841 1 26 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.731 0.062 . . . . . . . . . . 5841 1 27 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.710 0.011 . . . . . . . . . . 5841 1 28 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.762 0.033 . . . . . . . . . . 5841 1 29 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.721 0.011 . . . . . . . . . . 5841 1 30 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.762 0.012 . . . . . . . . . . 5841 1 31 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.739 0.009 . . . . . . . . . . 5841 1 32 . 1 1 38 38 ARG N N 15 . 1 1 38 38 ARG H H 1 0.725 0.007 . . . . . . . . . . 5841 1 33 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.703 0.006 . . . . . . . . . . 5841 1 34 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.650 0.013 . . . . . . . . . . 5841 1 35 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.794 0.009 . . . . . . . . . . 5841 1 36 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.778 0.035 . . . . . . . . . . 5841 1 37 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.780 0.029 . . . . . . . . . . 5841 1 38 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 0.700 0.037 . . . . . . . . . . 5841 1 39 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.747 0.054 . . . . . . . . . . 5841 1 40 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.190 0.046 . . . . . . . . . . 5841 1 41 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.773 0.021 . . . . . . . . . . 5841 1 42 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.643 0.023 . . . . . . . . . . 5841 1 43 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.786 0.025 . . . . . . . . . . 5841 1 44 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.813 0.118 . . . . . . . . . . 5841 1 45 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.455 0.027 . . . . . . . . . . 5841 1 46 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.749 0.025 . . . . . . . . . . 5841 1 47 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.767 0.035 . . . . . . . . . . 5841 1 48 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.790 0.015 . . . . . . . . . . 5841 1 49 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.723 0.008 . . . . . . . . . . 5841 1 50 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.782 0.027 . . . . . . . . . . 5841 1 51 . 1 1 60 60 TRP N N 15 . 1 1 60 60 TRP H H 1 0.728 0.013 . . . . . . . . . . 5841 1 52 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.783 0.011 . . . . . . . . . . 5841 1 53 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.752 0.002 . . . . . . . . . . 5841 1 54 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.720 0.040 . . . . . . . . . . 5841 1 55 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.751 0.070 . . . . . . . . . . 5841 1 56 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.790 0.036 . . . . . . . . . . 5841 1 57 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.758 0.036 . . . . . . . . . . 5841 1 58 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.755 0.040 . . . . . . . . . . 5841 1 59 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.794 0.055 . . . . . . . . . . 5841 1 60 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.675 0.010 . . . . . . . . . . 5841 1 61 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.779 0.007 . . . . . . . . . . 5841 1 62 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.795 0.014 . . . . . . . . . . 5841 1 63 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.786 0.021 . . . . . . . . . . 5841 1 64 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.802 0.034 . . . . . . . . . . 5841 1 65 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.801 0.067 . . . . . . . . . . 5841 1 66 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.822 0.021 . . . . . . . . . . 5841 1 67 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.769 0.047 . . . . . . . . . . 5841 1 68 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.816 0.021 . . . . . . . . . . 5841 1 69 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.770 0.022 . . . . . . . . . . 5841 1 70 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.771 0.012 . . . . . . . . . . 5841 1 71 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.787 0.008 . . . . . . . . . . 5841 1 72 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.809 0.081 . . . . . . . . . . 5841 1 73 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.768 0.050 . . . . . . . . . . 5841 1 74 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.764 0.080 . . . . . . . . . . 5841 1 75 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.739 0.019 . . . . . . . . . . 5841 1 76 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.581 0.051 . . . . . . . . . . 5841 1 77 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.775 0.0006151 . . . . . . . . . . 5841 1 78 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.699 0.015 . . . . . . . . . . 5841 1 79 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.610 0.011 . . . . . . . . . . 5841 1 80 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.469 0.018 . . . . . . . . . . 5841 1 81 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.554 0.031 . . . . . . . . . . 5841 1 82 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.650 0.0005741 . . . . . . . . . . 5841 1 83 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.648 0.017 . . . . . . . . . . 5841 1 84 . 1 1 95 95 TRP N N 15 . 1 1 95 95 TRP H H 1 0.741 0.038 . . . . . . . . . . 5841 1 85 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.741 0.069 . . . . . . . . . . 5841 1 86 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.739 0.014 . . . . . . . . . . 5841 1 87 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.800 0.003 . . . . . . . . . . 5841 1 88 . 1 1 100 100 GLU N N 15 . 1 1 100 100 GLU H H 1 0.670 0.024 . . . . . . . . . . 5841 1 89 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.721 0.023 . . . . . . . . . . 5841 1 90 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.747 0.022 . . . . . . . . . . 5841 1 91 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.769 0.025 . . . . . . . . . . 5841 1 92 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.766 0.042 . . . . . . . . . . 5841 1 93 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.812 0.045 . . . . . . . . . . 5841 1 94 . 1 1 106 106 ILE N N 15 . 1 1 106 106 ILE H H 1 0.813 0.021 . . . . . . . . . . 5841 1 95 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.769 0.007 . . . . . . . . . . 5841 1 96 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.828 0.055 . . . . . . . . . . 5841 1 97 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.798 0.010 . . . . . . . . . . 5841 1 98 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.731 0.030 . . . . . . . . . . 5841 1 99 . 1 1 111 111 THR N N 15 . 1 1 111 111 THR H H 1 0.720 0.015 . . . . . . . . . . 5841 1 100 . 1 1 112 112 THR N N 15 . 1 1 112 112 THR H H 1 0.747 0.036 . . . . . . . . . . 5841 1 101 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.752 0.057 . . . . . . . . . . 5841 1 102 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.818 0.039 . . . . . . . . . . 5841 1 103 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.759 0.020 . . . . . . . . . . 5841 1 104 . 1 1 116 116 TYR N N 15 . 1 1 116 116 TYR H H 1 0.772 0.003 . . . . . . . . . . 5841 1 105 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.788 0.058 . . . . . . . . . . 5841 1 106 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.784 0.027 . . . . . . . . . . 5841 1 107 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.736 0.022 . . . . . . . . . . 5841 1 108 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.630 0.005 . . . . . . . . . . 5841 1 109 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.496 0.005 . . . . . . . . . . 5841 1 110 . 1 1 123 123 ASN N N 15 . 1 1 123 123 ASN H H 1 0.266 0.059 . . . . . . . . . . 5841 1 111 . 1 1 124 124 GLU N N 15 . 1 1 124 124 GLU H H 1 -0.276 0.012 . . . . . . . . . . 5841 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 5841 _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 . 5841 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 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.499 0.004 . . . . . . . . . . 5841 2 2 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.764 0.008 . . . . . . . . . . 5841 2 3 . 1 1 7 7 TRP N N 15 . 1 1 7 7 TRP H H 1 0.881 0.013 . . . . . . . . . . 5841 2 4 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.806 0.027 . . . . . . . . . . 5841 2 5 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.852 0.006 . . . . . . . . . . 5841 2 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.791 0.042 . . . . . . . . . . 5841 2 7 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.777 0.038 . . . . . . . . . . 5841 2 8 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.796 0.011 . . . . . . . . . . 5841 2 9 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.750 0.005 . . . . . . . . . . 5841 2 10 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.789 0.015 . . . . . . . . . . 5841 2 11 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.805 0.028 . . . . . . . . . . 5841 2 12 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.751 0.015 . . . . . . . . . . 5841 2 13 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.778 0.041 . . . . . . . . . . 5841 2 14 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.780 0.038 . . . . . . . . . . 5841 2 15 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.730 0.032 . . . . . . . . . . 5841 2 16 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.831 0.010 . . . . . . . . . . 5841 2 17 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.838 0.025 . . . . . . . . . . 5841 2 18 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.744 0.006 . . . . . . . . . . 5841 2 19 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.804 0.034 . . . . . . . . . . 5841 2 20 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.795 0.018 . . . . . . . . . . 5841 2 21 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.616 0.025 . . . . . . . . . . 5841 2 22 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.800 0.003 . . . . . . . . . . 5841 2 23 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.782 0.019 . . . . . . . . . . 5841 2 24 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.782 0.022 . . . . . . . . . . 5841 2 25 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.723 0.008 . . . . . . . . . . 5841 2 26 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.840 0.045 . . . . . . . . . . 5841 2 27 . 1 1 38 38 ARG N N 15 . 1 1 38 38 ARG H H 1 0.720 0.024 . . . . . . . . . . 5841 2 28 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.768 0.021 . . . . . . . . . . 5841 2 29 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.570 0.037 . . . . . . . . . . 5841 2 30 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.758 0.023 . . . . . . . . . . 5841 2 31 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.808 0.008 . . . . . . . . . . 5841 2 32 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 0.803 0.031 . . . . . . . . . . 5841 2 33 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.809 0.025 . . . . . . . . . . 5841 2 34 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.277 0.007 . . . . . . . . . . 5841 2 35 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.703 0.024 . . . . . . . . . . 5841 2 36 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.826 0.056 . . . . . . . . . . 5841 2 37 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.648 0.041 . . . . . . . . . . 5841 2 38 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.832 0.018 . . . . . . . . . . 5841 2 39 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.851 0.016 . . . . . . . . . . 5841 2 40 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.849 0.024 . . . . . . . . . . 5841 2 41 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.810 0.018 . . . . . . . . . . 5841 2 42 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.800 0.013 . . . . . . . . . . 5841 2 43 . 1 1 60 60 TRP N N 15 . 1 1 60 60 TRP H H 1 0.743 0.013 . . . . . . . . . . 5841 2 44 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.729 0.010 . . . . . . . . . . 5841 2 45 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.691 0.014 . . . . . . . . . . 5841 2 46 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.748 0.018 . . . . . . . . . . 5841 2 47 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.849 0.019 . . . . . . . . . . 5841 2 48 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.776 0.020 . . . . . . . . . . 5841 2 49 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.794 0.009 . . . . . . . . . . 5841 2 50 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.827 0.016 . . . . . . . . . . 5841 2 51 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.781 0.018 . . . . . . . . . . 5841 2 52 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.772 0.013 . . . . . . . . . . 5841 2 53 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.825 0.065 . . . . . . . . . . 5841 2 54 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.789 0.031 . . . . . . . . . . 5841 2 55 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.795 0.041 . . . . . . . . . . 5841 2 56 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.856 0.008 . . . . . . . . . . 5841 2 57 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.735 0.023 . . . . . . . . . . 5841 2 58 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.802 0.016 . . . . . . . . . . 5841 2 59 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.800 0.023 . . . . . . . . . . 5841 2 60 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.792 0.006 . . . . . . . . . . 5841 2 61 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.854 0.026 . . . . . . . . . . 5841 2 62 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.586 0.170 . . . . . . . . . . 5841 2 63 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.788 0.116 . . . . . . . . . . 5841 2 64 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.778 0.017 . . . . . . . . . . 5841 2 65 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.766 0.002 . . . . . . . . . . 5841 2 66 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.814 0.018 . . . . . . . . . . 5841 2 67 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.695 0.013 . . . . . . . . . . 5841 2 68 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.694 0.066 . . . . . . . . . . 5841 2 69 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.523 0.045 . . . . . . . . . . 5841 2 70 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.769 0.006 . . . . . . . . . . 5841 2 71 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.781 0.064 . . . . . . . . . . 5841 2 72 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.749 0.011 . . . . . . . . . . 5841 2 73 . 1 1 95 95 TRP N N 15 . 1 1 95 95 TRP H H 1 0.757 0.013 . . . . . . . . . . 5841 2 74 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.812 0.025 . . . . . . . . . . 5841 2 75 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.789 0.015 . . . . . . . . . . 5841 2 76 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.808 0.018 . . . . . . . . . . 5841 2 77 . 1 1 100 100 GLU N N 15 . 1 1 100 100 GLU H H 1 0.725 0.007 . . . . . . . . . . 5841 2 78 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.783 0.013 . . . . . . . . . . 5841 2 79 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.805 0.009 . . . . . . . . . . 5841 2 80 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.739 0.011 . . . . . . . . . . 5841 2 81 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.775 0.051 . . . . . . . . . . 5841 2 82 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.765 0.013 . . . . . . . . . . 5841 2 83 . 1 1 106 106 ILE N N 15 . 1 1 106 106 ILE H H 1 0.804 0.014 . . . . . . . . . . 5841 2 84 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.857 0.027 . . . . . . . . . . 5841 2 85 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.830 0.036 . . . . . . . . . . 5841 2 86 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.826 0.024 . . . . . . . . . . 5841 2 87 . 1 1 111 111 THR N N 15 . 1 1 111 111 THR H H 1 0.743 0.005 . . . . . . . . . . 5841 2 88 . 1 1 112 112 THR N N 15 . 1 1 112 112 THR H H 1 0.763 0.037 . . . . . . . . . . 5841 2 89 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.769 0.010 . . . . . . . . . . 5841 2 90 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.804 0.024 . . . . . . . . . . 5841 2 91 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.780 0.023 . . . . . . . . . . 5841 2 92 . 1 1 116 116 TYR N N 15 . 1 1 116 116 TYR H H 1 0.708 0.015 . . . . . . . . . . 5841 2 93 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.779 0.012 . . . . . . . . . . 5841 2 94 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.788 0.011 . . . . . . . . . . 5841 2 95 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.768 0.030 . . . . . . . . . . 5841 2 96 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.675 0.046 . . . . . . . . . . 5841 2 97 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.541 0.014 . . . . . . . . . . 5841 2 98 . 1 1 123 123 ASN N N 15 . 1 1 123 123 ASN H H 1 0.336 0.026 . . . . . . . . . . 5841 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 5841 _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 . 5841 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 . . 0.510 0.041 . . . . . 5841 1 2 . 1 1 4 4 GLY N . . 0.472 0.027 . . . . . 5841 1 3 . 1 1 5 5 SER N . . 0.441 0.025 . . . . . 5841 1 4 . 1 1 6 6 SER N . . 0.442 0.038 . . . . . 5841 1 5 . 1 1 7 7 TRP N . . 0.468 0.029 . . . . . 5841 1 6 . 1 1 8 8 LEU N . . 0.496 0.017 . . . . . 5841 1 7 . 1 1 9 9 PHE N . . 0.487 0.018 . . . . . 5841 1 8 . 1 1 10 10 LEU N . . 0.523 0.026 . . . . . 5841 1 9 . 1 1 11 11 GLU N . . 0.521 0.015 . . . . . 5841 1 10 . 1 1 12 12 VAL N . . 0.526 0.025 . . . . . 5841 1 11 . 1 1 14 14 ALA N . . 0.491 0.015 . . . . . 5841 1 12 . 1 1 15 15 GLY N . . 0.491 0.028 . . . . . 5841 1 13 . 1 1 17 17 ALA N . . 0.437 0.035 . . . . . 5841 1 14 . 1 1 18 18 ILE N . . 0.565 0.018 . . . . . 5841 1 15 . 1 1 19 19 GLY N . . 0.504 0.021 . . . . . 5841 1 16 . 1 1 20 20 LEU N . . 0.545 0.020 . . . . . 5841 1 17 . 1 1 21 21 GLN N . . 0.530 0.018 . . . . . 5841 1 18 . 1 1 22 22 HIS N . . 0.538 0.018 . . . . . 5841 1 19 . 1 1 23 23 ALA N . . 0.519 0.017 . . . . . 5841 1 20 . 1 1 24 24 VAL N . . 0.439 0.023 . . . . . 5841 1 21 . 1 1 25 25 ASN N . . 0.506 0.020 . . . . . 5841 1 22 . 1 1 26 26 SER N . . 0.439 0.030 . . . . . 5841 1 23 . 1 1 27 27 THR N . . 0.398 0.029 . . . . . 5841 1 24 . 1 1 28 28 SER N . . 0.444 0.024 . . . . . 5841 1 25 . 1 1 29 29 SER N . . 0.407 0.038 . . . . . 5841 1 26 . 1 1 31 31 LYS N . . 0.496 0.021 . . . . . 5841 1 27 . 1 1 32 32 LEU N . . 0.540 0.027 . . . . . 5841 1 28 . 1 1 34 34 VAL N . . 0.516 0.011 . . . . . 5841 1 29 . 1 1 35 35 LYS N . . 0.522 0.019 . . . . . 5841 1 30 . 1 1 36 36 LEU N . . 0.519 0.018 . . . . . 5841 1 31 . 1 1 37 37 GLY N . . 0.478 0.022 . . . . . 5841 1 32 . 1 1 38 38 ARG N . . 0.490 0.025 . . . . . 5841 1 33 . 1 1 39 39 VAL N . . 0.445 0.023 . . . . . 5841 1 34 . 1 1 42 42 SER N . . 0.397 0.026 . . . . . 5841 1 35 . 1 1 43 43 ASP N . . 0.501 0.017 . . . . . 5841 1 36 . 1 1 44 44 LEU N . . 0.507 0.022 . . . . . 5841 1 37 . 1 1 45 45 ALA N . . 0.554 0.018 . . . . . 5841 1 38 . 1 1 46 46 LEU N . . 0.498 0.018 . . . . . 5841 1 39 . 1 1 47 47 LYS N . . 0.488 0.019 . . . . . 5841 1 40 . 1 1 48 48 ASP N . . 0.664 0.044 . . . . . 5841 1 41 . 1 1 49 49 SER N . . 0.406 0.029 . . . . . 5841 1 42 . 1 1 50 50 GLU N . . 0.381 0.034 . . . . . 5841 1 43 . 1 1 51 51 VAL N . . 0.452 0.022 . . . . . 5841 1 44 . 1 1 53 53 GLY N . . 0.659 0.247 . . . . . 5841 1 45 . 1 1 54 54 LYS N . . 0.446 0.035 . . . . . 5841 1 46 . 1 1 55 55 HIS N . . 0.524 0.026 . . . . . 5841 1 47 . 1 1 56 56 ALA N . . 0.490 0.017 . . . . . 5841 1 48 . 1 1 57 57 GLN N . . 0.508 0.014 . . . . . 5841 1 49 . 1 1 58 58 ILE N . . 0.526 0.011 . . . . . 5841 1 50 . 1 1 59 59 THR N . . 0.503 0.014 . . . . . 5841 1 51 . 1 1 60 60 TRP N . . 0.503 0.016 . . . . . 5841 1 52 . 1 1 61 61 ASN N . . 0.487 0.018 . . . . . 5841 1 53 . 1 1 62 62 SER N . . 0.430 0.033 . . . . . 5841 1 54 . 1 1 63 63 THR N . . 0.508 0.030 . . . . . 5841 1 55 . 1 1 64 64 LYS N . . 0.518 0.017 . . . . . 5841 1 56 . 1 1 65 65 PHE N . . 0.499 0.018 . . . . . 5841 1 57 . 1 1 66 66 LYS N . . 0.527 0.023 . . . . . 5841 1 58 . 1 1 67 67 TRP N . . 0.508 0.017 . . . . . 5841 1 59 . 1 1 68 68 GLU N . . 0.506 0.018 . . . . . 5841 1 60 . 1 1 69 69 LEU N . . 0.508 0.018 . . . . . 5841 1 61 . 1 1 70 70 VAL N . . 0.494 0.015 . . . . . 5841 1 62 . 1 1 71 71 ASP N . . 0.438 0.026 . . . . . 5841 1 63 . 1 1 72 72 MET N . . 0.546 0.019 . . . . . 5841 1 64 . 1 1 73 73 GLY N . . 0.478 0.019 . . . . . 5841 1 65 . 1 1 74 74 SER N . . 0.431 0.033 . . . . . 5841 1 66 . 1 1 75 75 LEU N . . 0.379 0.030 . . . . . 5841 1 67 . 1 1 76 76 ASN N . . 0.393 0.030 . . . . . 5841 1 68 . 1 1 77 77 GLY N . . 0.396 0.031 . . . . . 5841 1 69 . 1 1 78 78 THR N . . 0.436 0.022 . . . . . 5841 1 70 . 1 1 79 79 LEU N . . 0.460 0.021 . . . . . 5841 1 71 . 1 1 80 80 VAL N . . 0.480 0.025 . . . . . 5841 1 72 . 1 1 81 81 ASN N . . 0.416 0.030 . . . . . 5841 1 73 . 1 1 82 82 SER N . . 0.504 0.055 . . . . . 5841 1 74 . 1 1 83 83 HIS N . . 0.452 0.028 . . . . . 5841 1 75 . 1 1 84 84 SER N . . 0.533 0.069 . . . . . 5841 1 76 . 1 1 85 85 ILE N . . 0.441 0.019 . . . . . 5841 1 77 . 1 1 86 86 SER N . . 0.429 0.028 . . . . . 5841 1 78 . 1 1 87 87 HIS N . . 0.404 0.034 . . . . . 5841 1 79 . 1 1 89 89 ASP N . . 0.500 0.030 . . . . . 5841 1 80 . 1 1 90 90 LEU N . . 0.515 0.023 . . . . . 5841 1 81 . 1 1 91 91 GLY N . . 0.490 0.027 . . . . . 5841 1 82 . 1 1 92 92 SER N . . 0.414 0.034 . . . . . 5841 1 83 . 1 1 93 93 ARG N . . 0.404 0.023 . . . . . 5841 1 84 . 1 1 94 94 LYS N . . 0.466 0.025 . . . . . 5841 1 85 . 1 1 95 95 TRP N . . 0.490 0.022 . . . . . 5841 1 86 . 1 1 96 96 GLY N . . 0.441 0.021 . . . . . 5841 1 87 . 1 1 97 97 ASN N . . 0.481 0.027 . . . . . 5841 1 88 . 1 1 99 99 VAL N . . 0.519 0.016 . . . . . 5841 1 89 . 1 1 100 100 GLU N . . 0.546 0.015 . . . . . 5841 1 90 . 1 1 101 101 LEU N . . 0.515 0.016 . . . . . 5841 1 91 . 1 1 102 102 ALA N . . 0.559 0.012 . . . . . 5841 1 92 . 1 1 103 103 SER N . . 0.567 0.017 . . . . . 5841 1 93 . 1 1 104 104 ASP N . . 0.446 0.030 . . . . . 5841 1 94 . 1 1 105 105 ASP N . . 0.514 0.018 . . . . . 5841 1 95 . 1 1 106 106 ILE N . . 0.516 0.021 . . . . . 5841 1 96 . 1 1 107 107 ILE N . . 0.527 0.020 . . . . . 5841 1 97 . 1 1 108 108 THR N . . 0.487 0.020 . . . . . 5841 1 98 . 1 1 109 109 LEU N . . 0.465 0.030 . . . . . 5841 1 99 . 1 1 110 110 GLY N . . 0.442 0.026 . . . . . 5841 1 100 . 1 1 111 111 THR N . . 0.397 0.037 . . . . . 5841 1 101 . 1 1 112 112 THR N . . 0.370 0.041 . . . . . 5841 1 102 . 1 1 113 113 THR N . . 0.400 0.050 . . . . . 5841 1 103 . 1 1 114 114 LYS N . . 0.472 0.029 . . . . . 5841 1 104 . 1 1 115 115 VAL N . . 0.509 0.017 . . . . . 5841 1 105 . 1 1 116 116 TYR N . . 0.491 0.028 . . . . . 5841 1 106 . 1 1 117 117 VAL N . . 0.519 0.034 . . . . . 5841 1 107 . 1 1 118 118 ARG N . . 0.467 0.018 . . . . . 5841 1 108 . 1 1 119 119 ILE N . . 0.501 0.021 . . . . . 5841 1 109 . 1 1 120 120 SER N . . 0.477 0.019 . . . . . 5841 1 110 . 1 1 121 121 SER N . . 0.644 0.096 . . . . . 5841 1 111 . 1 1 122 122 GLN N . . 0.392 0.027 . . . . . 5841 1 112 . 1 1 123 123 ASN N . . 0.573 0.038 . . . . . 5841 1 113 . 1 1 124 124 GLU N . . 0.641 0.016 . . . . . 5841 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 5841 _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 . 5841 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 . . 0.494 0.009 . . . . . 5841 2 2 . 1 1 4 4 GLY N . . 0.436 0.007 . . . . . 5841 2 3 . 1 1 5 5 SER N . . 0.445 0.011 . . . . . 5841 2 4 . 1 1 6 6 SER N . . 0.461 0.010 . . . . . 5841 2 5 . 1 1 7 7 TRP N . . 0.504 0.036 . . . . . 5841 2 6 . 1 1 8 8 LEU N . . 0.531 0.032 . . . . . 5841 2 7 . 1 1 9 9 PHE N . . 0.557 0.046 . . . . . 5841 2 8 . 1 1 10 10 LEU N . . 0.575 0.028 . . . . . 5841 2 9 . 1 1 11 11 GLU N . . 0.581 0.035 . . . . . 5841 2 10 . 1 1 12 12 VAL N . . 0.621 0.023 . . . . . 5841 2 11 . 1 1 14 14 ALA N . . 0.544 0.028 . . . . . 5841 2 12 . 1 1 15 15 GLY N . . 0.533 0.024 . . . . . 5841 2 13 . 1 1 17 17 ALA N . . 0.491 0.024 . . . . . 5841 2 14 . 1 1 18 18 ILE N . . 0.573 0.035 . . . . . 5841 2 15 . 1 1 19 19 GLY N . . 0.636 0.023 . . . . . 5841 2 16 . 1 1 20 20 LEU N . . 0.625 0.070 . . . . . 5841 2 17 . 1 1 21 21 GLN N . . 0.644 0.056 . . . . . 5841 2 18 . 1 1 22 22 HIS N . . 0.598 0.039 . . . . . 5841 2 19 . 1 1 23 23 ALA N . . 0.541 0.015 . . . . . 5841 2 20 . 1 1 25 25 ASN N . . 0.560 0.036 . . . . . 5841 2 21 . 1 1 27 27 THR N . . 0.425 0.018 . . . . . 5841 2 22 . 1 1 28 28 SER N . . 0.493 0.038 . . . . . 5841 2 23 . 1 1 29 29 SER N . . 0.427 0.014 . . . . . 5841 2 24 . 1 1 31 31 LYS N . . 0.545 0.016 . . . . . 5841 2 25 . 1 1 32 32 LEU N . . 0.599 0.025 . . . . . 5841 2 26 . 1 1 34 34 VAL N . . 0.561 0.036 . . . . . 5841 2 27 . 1 1 35 35 LYS N . . 0.589 0.014 . . . . . 5841 2 28 . 1 1 37 37 GLY N . . 0.516 0.031 . . . . . 5841 2 29 . 1 1 38 38 ARG N . . 0.520 0.022 . . . . . 5841 2 30 . 1 1 39 39 VAL N . . 0.479 0.018 . . . . . 5841 2 31 . 1 1 42 42 SER N . . 0.393 0.020 . . . . . 5841 2 32 . 1 1 44 44 LEU N . . 0.580 0.035 . . . . . 5841 2 33 . 1 1 45 45 ALA N . . 0.641 0.032 . . . . . 5841 2 34 . 1 1 46 46 LEU N . . 0.570 0.024 . . . . . 5841 2 35 . 1 1 47 47 LYS N . . 0.553 0.035 . . . . . 5841 2 36 . 1 1 48 48 ASP N . . 0.681 0.019 . . . . . 5841 2 37 . 1 1 51 51 VAL N . . 0.466 0.025 . . . . . 5841 2 38 . 1 1 53 53 GLY N . . 0.402 0.033 . . . . . 5841 2 39 . 1 1 54 54 LYS N . . 0.454 0.018 . . . . . 5841 2 40 . 1 1 55 55 HIS N . . 0.586 0.016 . . . . . 5841 2 41 . 1 1 56 56 ALA N . . 0.583 0.046 . . . . . 5841 2 42 . 1 1 57 57 GLN N . . 0.579 0.034 . . . . . 5841 2 43 . 1 1 58 58 ILE N . . 0.615 0.033 . . . . . 5841 2 44 . 1 1 59 59 THR N . . 0.570 0.030 . . . . . 5841 2 45 . 1 1 60 60 TRP N . . 0.551 0.015 . . . . . 5841 2 46 . 1 1 61 61 ASN N . . 0.426 0.012 . . . . . 5841 2 47 . 1 1 62 62 SER N . . 0.521 0.023 . . . . . 5841 2 48 . 1 1 63 63 THR N . . 0.603 0.025 . . . . . 5841 2 49 . 1 1 64 64 LYS N . . 0.561 0.030 . . . . . 5841 2 50 . 1 1 65 65 PHE N . . 0.597 0.029 . . . . . 5841 2 51 . 1 1 66 66 LYS N . . 0.559 0.050 . . . . . 5841 2 52 . 1 1 67 67 TRP N . . 0.579 0.048 . . . . . 5841 2 53 . 1 1 68 68 GLU N . . 0.566 0.019 . . . . . 5841 2 54 . 1 1 69 69 LEU N . . 0.553 0.032 . . . . . 5841 2 55 . 1 1 70 70 VAL N . . 0.474 0.022 . . . . . 5841 2 56 . 1 1 71 71 ASP N . . 0.417 0.015 . . . . . 5841 2 57 . 1 1 75 75 LEU N . . 0.439 0.015 . . . . . 5841 2 58 . 1 1 76 76 ASN N . . 0.442 0.012 . . . . . 5841 2 59 . 1 1 77 77 GLY N . . 0.490 0.033 . . . . . 5841 2 60 . 1 1 78 78 THR N . . 0.503 0.022 . . . . . 5841 2 61 . 1 1 79 79 LEU N . . 0.529 0.020 . . . . . 5841 2 62 . 1 1 80 80 VAL N . . 0.468 0.012 . . . . . 5841 2 63 . 1 1 81 81 ASN N . . 0.350 0.017 . . . . . 5841 2 64 . 1 1 82 82 SER N . . 0.468 0.020 . . . . . 5841 2 65 . 1 1 83 83 HIS N . . 0.373 0.030 . . . . . 5841 2 66 . 1 1 84 84 SER N . . 0.475 0.016 . . . . . 5841 2 67 . 1 1 85 85 ILE N . . 0.447 0.009 . . . . . 5841 2 68 . 1 1 86 86 SER N . . 0.441 0.021 . . . . . 5841 2 69 . 1 1 87 87 HIS N . . 0.589 0.077 . . . . . 5841 2 70 . 1 1 89 89 ASP N . . 0.500 0.047 . . . . . 5841 2 71 . 1 1 90 90 LEU N . . 0.524 0.018 . . . . . 5841 2 72 . 1 1 91 91 GLY N . . 0.436 0.025 . . . . . 5841 2 73 . 1 1 92 92 SER N . . 0.440 0.023 . . . . . 5841 2 74 . 1 1 93 93 ARG N . . 0.496 0.018 . . . . . 5841 2 75 . 1 1 94 94 LYS N . . 0.528 0.039 . . . . . 5841 2 76 . 1 1 95 95 TRP N . . 0.471 0.021 . . . . . 5841 2 77 . 1 1 96 96 GLY N . . 0.521 0.014 . . . . . 5841 2 78 . 1 1 97 97 ASN N . . 0.573 0.018 . . . . . 5841 2 79 . 1 1 99 99 VAL N . . 0.578 0.022 . . . . . 5841 2 80 . 1 1 100 100 GLU N . . 0.574 0.028 . . . . . 5841 2 81 . 1 1 101 101 LEU N . . 0.623 0.022 . . . . . 5841 2 82 . 1 1 102 102 ALA N . . 0.628 0.022 . . . . . 5841 2 83 . 1 1 103 103 SER N . . 0.462 0.031 . . . . . 5841 2 84 . 1 1 104 104 ASP N . . 0.527 0.014 . . . . . 5841 2 85 . 1 1 105 105 ASP N . . 0.580 0.029 . . . . . 5841 2 86 . 1 1 106 106 ILE N . . 0.572 0.029 . . . . . 5841 2 87 . 1 1 107 107 ILE N . . 0.543 0.048 . . . . . 5841 2 88 . 1 1 108 108 THR N . . 0.509 0.015 . . . . . 5841 2 89 . 1 1 110 110 GLY N . . 0.430 0.015 . . . . . 5841 2 90 . 1 1 111 111 THR N . . 0.418 0.012 . . . . . 5841 2 91 . 1 1 112 112 THR N . . 0.429 0.015 . . . . . 5841 2 92 . 1 1 113 113 THR N . . 0.543 0.030 . . . . . 5841 2 93 . 1 1 114 114 LYS N . . 0.593 0.044 . . . . . 5841 2 94 . 1 1 115 115 VAL N . . 0.563 0.032 . . . . . 5841 2 95 . 1 1 116 116 TYR N . . 0.511 0.015 . . . . . 5841 2 96 . 1 1 117 117 VAL N . . 0.548 0.038 . . . . . 5841 2 97 . 1 1 118 118 ARG N . . 0.531 0.031 . . . . . 5841 2 98 . 1 1 120 120 SER N . . 0.392 0.055 . . . . . 5841 2 99 . 1 1 121 121 SER N . . 0.400 0.011 . . . . . 5841 2 100 . 1 1 122 122 GLN N . . 0.379 0.023 . . . . . 5841 2 101 . 1 1 123 123 ASN N . . 0.600 0.027 . . . . . 5841 2 102 . 1 1 124 124 GLU N . . 0.604 0.027 . . . . . 5841 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 5841 _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 . 5841 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 . . 0.1992 0.0031 . . . . . . . 5841 1 2 . 1 1 4 4 GLY N . . 0.1808 0.0041 . . . . . . . 5841 1 3 . 1 1 5 5 SER N . . 0.1808 0.0041 . . . . . . . 5841 1 4 . 1 1 6 6 SER N . . 0.0855 0.0039 . . . . . . . 5841 1 5 . 1 1 7 7 TRP N . . 0.0893 0.0057 . . . . . . . 5841 1 6 . 1 1 8 8 LEU N . . 0.0901 0.0052 . . . . . . . 5841 1 7 . 1 1 9 9 PHE N . . 0.0901 0.0059 . . . . . . . 5841 1 8 . 1 1 10 10 LEU N . . 0.0813 0.0078 . . . . . . . 5841 1 9 . 1 1 11 11 GLU N . . 0.0862 0.0058 . . . . . . . 5841 1 10 . 1 1 12 12 VAL N . . 0.0806 0.0072 . . . . . . . 5841 1 11 . 1 1 14 14 ALA N . . 0.0699 0.0030 . . . . . . . 5841 1 12 . 1 1 15 15 GLY N . . 0.0877 0.0059 . . . . . . . 5841 1 13 . 1 1 17 17 ALA N . . 0.0781 0.0042 . . . . . . . 5841 1 14 . 1 1 18 18 ILE N . . 0.0862 0.0028 . . . . . . . 5841 1 15 . 1 1 19 19 GLY N . . 0.0847 0.0090 . . . . . . . 5841 1 16 . 1 1 20 20 LEU N . . 0.0935 0.0073 . . . . . . . 5841 1 17 . 1 1 21 21 GLN N . . 0.0885 0.0081 . . . . . . . 5841 1 18 . 1 1 22 22 HIS N . . 0.0877 0.0044 . . . . . . . 5841 1 19 . 1 1 23 23 ALA N . . 0.0855 0.0079 . . . . . . . 5841 1 20 . 1 1 25 25 ASN N . . 0.0926 0.0059 . . . . . . . 5841 1 21 . 1 1 26 26 SER N . . 0.0840 0.0033 . . . . . . . 5841 1 22 . 1 1 27 27 THR N . . 0.0741 0.0026 . . . . . . . 5841 1 23 . 1 1 28 28 SER N . . 0.0794 0.0019 . . . . . . . 5841 1 24 . 1 1 29 29 SER N . . 0.0855 0.0021 . . . . . . . 5841 1 25 . 1 1 31 31 LYS N . . 0.0787 0.0022 . . . . . . . 5841 1 26 . 1 1 32 32 LEU N . . 0.0990 0.0029 . . . . . . . 5841 1 27 . 1 1 34 34 VAL N . . 0.1000 0.0040 . . . . . . . 5841 1 28 . 1 1 35 35 LYS N . . 0.1000 0.0061 . . . . . . . 5841 1 29 . 1 1 36 36 LEU N . . 0.0870 0.0033 . . . . . . . 5841 1 30 . 1 1 37 37 GLY N . . 0.0735 0.0026 . . . . . . . 5841 1 31 . 1 1 38 38 ARG N . . 0.0813 0.0036 . . . . . . . 5841 1 32 . 1 1 39 39 VAL N . . 0.0781 0.0032 . . . . . . . 5841 1 33 . 1 1 42 42 SER N . . 0.0813 0.0028 . . . . . . . 5841 1 34 . 1 1 43 43 ASP N . . 0.0885 0.0026 . . . . . . . 5841 1 35 . 1 1 44 44 LEU N . . 0.0735 0.0027 . . . . . . . 5841 1 36 . 1 1 45 45 ALA N . . 0.0840 0.0032 . . . . . . . 5841 1 37 . 1 1 46 46 LEU N . . 0.0901 0.0043 . . . . . . . 5841 1 38 . 1 1 47 47 LYS N . . 0.0847 0.0051 . . . . . . . 5841 1 39 . 1 1 48 48 ASP N . . 0.1160 0.0059 . . . . . . . 5841 1 40 . 1 1 50 50 GLU N . . 0.0813 0.0025 . . . . . . . 5841 1 41 . 1 1 51 51 VAL N . . 0.0758 0.0023 . . . . . . . 5841 1 42 . 1 1 53 53 GLY N . . 0.0658 0.0058 . . . . . . . 5841 1 43 . 1 1 54 54 LYS N . . 0.0769 0.0030 . . . . . . . 5841 1 44 . 1 1 55 55 HIS N . . 0.0885 0.0031 . . . . . . . 5841 1 45 . 1 1 56 56 ALA N . . 0.0826 0.0024 . . . . . . . 5841 1 46 . 1 1 57 57 GLN N . . 0.0980 0.0040 . . . . . . . 5841 1 47 . 1 1 58 58 ILE N . . 0.0909 0.0037 . . . . . . . 5841 1 48 . 1 1 59 59 THR N . . 0.0885 0.0036 . . . . . . . 5841 1 49 . 1 1 60 60 TRP N . . 0.0893 0.0039 . . . . . . . 5841 1 50 . 1 1 61 61 ASN N . . 0.0893 0.0031 . . . . . . . 5841 1 51 . 1 1 62 62 SER N . . 0.0820 0.0027 . . . . . . . 5841 1 52 . 1 1 63 63 THR N . . 0.0800 0.0025 . . . . . . . 5841 1 53 . 1 1 64 64 LYS N . . 0.0826 0.0031 . . . . . . . 5841 1 54 . 1 1 65 65 PHE N . . 0.0877 0.0034 . . . . . . . 5841 1 55 . 1 1 66 66 LYS N . . 0.0943 0.0041 . . . . . . . 5841 1 56 . 1 1 67 67 TRP N . . 0.0917 0.0037 . . . . . . . 5841 1 57 . 1 1 68 68 GLU N . . 0.0901 0.0038 . . . . . . . 5841 1 58 . 1 1 69 69 LEU N . . 0.1007 0.0052 . . . . . . . 5841 1 59 . 1 1 70 70 VAL N . . 0.0847 0.0030 . . . . . . . 5841 1 60 . 1 1 71 71 ASP N . . 0.0763 0.0033 . . . . . . . 5841 1 61 . 1 1 75 75 LEU N . . 0.0746 0.0038 . . . . . . . 5841 1 62 . 1 1 76 76 ASN N . . 0.0826 0.0042 . . . . . . . 5841 1 63 . 1 1 77 77 GLY N . . 0.0870 0.0027 . . . . . . . 5841 1 64 . 1 1 78 78 THR N . . 0.0775 0.0026 . . . . . . . 5841 1 65 . 1 1 79 79 LEU N . . 0.0763 0.0030 . . . . . . . 5841 1 66 . 1 1 80 80 VAL N . . 0.0820 0.0029 . . . . . . . 5841 1 67 . 1 1 81 81 ASN N . . 0.0826 0.0034 . . . . . . . 5841 1 68 . 1 1 82 82 SER N . . 0.0373 0.0047 . . . . . . . 5841 1 69 . 1 1 83 83 HIS N . . 0.0746 0.0021 . . . . . . . 5841 1 70 . 1 1 84 84 SER N . . 0.0709 0.0066 . . . . . . . 5841 1 71 . 1 1 85 85 ILE N . . 0.0813 0.0038 . . . . . . . 5841 1 72 . 1 1 86 86 SER N . . 0.0840 0.0024 . . . . . . . 5841 1 73 . 1 1 87 87 HIS N . . 0.0775 0.0025 . . . . . . . 5841 1 74 . 1 1 89 89 ASP N . . 0.0833 0.0027 . . . . . . . 5841 1 75 . 1 1 90 90 LEU N . . 0.0926 0.0035 . . . . . . . 5841 1 76 . 1 1 91 91 GLY N . . 0.0962 0.0026 . . . . . . . 5841 1 77 . 1 1 92 92 SER N . . 0.0980 0.0020 . . . . . . . 5841 1 78 . 1 1 93 93 ARG N . . 0.0735 0.0020 . . . . . . . 5841 1 79 . 1 1 94 94 LYS N . . 0.0943 0.0023 . . . . . . . 5841 1 80 . 1 1 95 95 TRP N . . 0.0870 0.0029 . . . . . . . 5841 1 81 . 1 1 96 96 GLY N . . 0.0847 0.0037 . . . . . . . 5841 1 82 . 1 1 97 97 ASN N . . 0.0971 0.0027 . . . . . . . 5841 1 83 . 1 1 99 99 VAL N . . 0.0980 0.0037 . . . . . . . 5841 1 84 . 1 1 100 100 GLU N . . 0.0909 0.0023 . . . . . . . 5841 1 85 . 1 1 101 101 LEU N . . 0.0909 0.0044 . . . . . . . 5841 1 86 . 1 1 102 102 ALA N . . 0.0980 0.0052 . . . . . . . 5841 1 87 . 1 1 103 103 SER N . . 0.0885 0.0028 . . . . . . . 5841 1 88 . 1 1 104 104 ASP N . . 0.1027 0.0099 . . . . . . . 5841 1 89 . 1 1 105 105 ASP N . . 0.0787 0.0027 . . . . . . . 5841 1 90 . 1 1 106 106 ILE N . . 0.0926 0.0045 . . . . . . . 5841 1 91 . 1 1 107 107 ILE N . . 0.0877 0.0066 . . . . . . . 5841 1 92 . 1 1 108 108 THR N . . 0.0847 0.0037 . . . . . . . 5841 1 93 . 1 1 109 109 LEU N . . 0.0962 0.0042 . . . . . . . 5841 1 94 . 1 1 110 110 GLY N . . 0.0877 0.0037 . . . . . . . 5841 1 95 . 1 1 111 111 THR N . . 0.0806 0.0042 . . . . . . . 5841 1 96 . 1 1 112 112 THR N . . 0.0746 0.0040 . . . . . . . 5841 1 97 . 1 1 113 113 THR N . . 0.0781 0.0039 . . . . . . . 5841 1 98 . 1 1 114 114 LYS N . . 0.0943 0.0056 . . . . . . . 5841 1 99 . 1 1 115 115 VAL N . . 0.0893 0.0071 . . . . . . . 5841 1 100 . 1 1 116 116 TYR N . . 0.0943 0.0085 . . . . . . . 5841 1 101 . 1 1 117 117 VAL N . . 0.0971 0.0119 . . . . . . . 5841 1 102 . 1 1 118 118 ARG N . . 0.0885 0.0065 . . . . . . . 5841 1 103 . 1 1 120 120 SER N . . 0.0800 0.0053 . . . . . . . 5841 1 104 . 1 1 121 121 SER N . . 0.0917 0.0059 . . . . . . . 5841 1 105 . 1 1 122 122 GLN N . . 0.1106 0.0052 . . . . . . . 5841 1 106 . 1 1 123 123 ASN N . . 0.1202 0.0047 . . . . . . . 5841 1 107 . 1 1 124 124 GLU N . . 0.2762 0.0053 . . . . . . . 5841 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 5841 _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 . 5841 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 . . 0.1983 0.0025 . . . . . . . 5841 2 2 . 1 1 4 4 GLY N . . 0.1757 0.0027 . . . . . . . 5841 2 3 . 1 1 5 5 SER N . . 0.1160 0.0013 . . . . . . . 5841 2 4 . 1 1 6 6 SER N . . 0.0829 0.0018 . . . . . . . 5841 2 5 . 1 1 7 7 TRP N . . 0.0780 0.0023 . . . . . . . 5841 2 6 . 1 1 8 8 LEU N . . 0.0837 0.0021 . . . . . . . 5841 2 7 . 1 1 9 9 PHE N . . 0.0822 0.0028 . . . . . . . 5841 2 8 . 1 1 10 10 LEU N . . 0.0676 0.0042 . . . . . . . 5841 2 9 . 1 1 11 11 GLU N . . 0.0724 0.0018 . . . . . . . 5841 2 10 . 1 1 12 12 VAL N . . 0.0611 0.0031 . . . . . . . 5841 2 11 . 1 1 14 14 ALA N . . 0.0780 0.0014 . . . . . . . 5841 2 12 . 1 1 15 15 GLY N . . 0.0798 0.0017 . . . . . . . 5841 2 13 . 1 1 17 17 ALA N . . 0.0791 0.0024 . . . . . . . 5841 2 14 . 1 1 18 18 ILE N . . 0.0720 0.0010 . . . . . . . 5841 2 15 . 1 1 19 19 GLY N . . 0.0769 0.0032 . . . . . . . 5841 2 16 . 1 1 20 20 LEU N . . 0.0684 0.0033 . . . . . . . 5841 2 17 . 1 1 21 21 GLN N . . 0.0729 0.0020 . . . . . . . 5841 2 18 . 1 1 22 22 HIS N . . 0.0806 0.0024 . . . . . . . 5841 2 19 . 1 1 23 23 ALA N . . 0.0708 0.0021 . . . . . . . 5841 2 20 . 1 1 25 25 ASN N . . 0.0803 0.0022 . . . . . . . 5841 2 21 . 1 1 27 27 THR N . . 0.0766 0.0013 . . . . . . . 5841 2 22 . 1 1 28 28 SER N . . 0.0813 0.0011 . . . . . . . 5841 2 23 . 1 1 29 29 SER N . . 0.0794 0.000904 . . . . . . . 5841 2 24 . 1 1 31 31 LYS N . . 0.0776 0.0010 . . . . . . . 5841 2 25 . 1 1 32 32 LEU N . . 0.0856 0.0012 . . . . . . . 5841 2 26 . 1 1 34 34 VAL N . . 0.0796 0.0016 . . . . . . . 5841 2 27 . 1 1 35 35 LYS N . . 0.0848 0.0028 . . . . . . . 5841 2 28 . 1 1 37 37 GLY N . . 0.0800 0.0018 . . . . . . . 5841 2 29 . 1 1 38 38 ARG N . . 0.0817 0.0014 . . . . . . . 5841 2 30 . 1 1 39 39 VAL N . . 0.0702 0.0017 . . . . . . . 5841 2 31 . 1 1 42 42 SER N . . 0.0775 0.0014 . . . . . . . 5841 2 32 . 1 1 44 44 LEU N . . 0.0676 0.0012 . . . . . . . 5841 2 33 . 1 1 45 45 ALA N . . 0.0758 0.0017 . . . . . . . 5841 2 34 . 1 1 46 46 LEU N . . 0.0858 0.0009746 . . . . . . . 5841 2 35 . 1 1 47 47 LYS N . . 0.0762 0.0030 . . . . . . . 5841 2 36 . 1 1 48 48 ASP N . . 0.1129 0.0040 . . . . . . . 5841 2 37 . 1 1 51 51 VAL N . . 0.0781 0.0011 . . . . . . . 5841 2 38 . 1 1 53 53 GLY N . . 0.0633 0.0046 . . . . . . . 5841 2 39 . 1 1 54 54 LYS N . . 0.0774 0.0012 . . . . . . . 5841 2 40 . 1 1 55 55 HIS N . . 0.0844 0.0016 . . . . . . . 5841 2 41 . 1 1 56 56 ALA N . . 0.0821 0.0014 . . . . . . . 5841 2 42 . 1 1 57 57 GLN N . . 0.0779 0.0012 . . . . . . . 5841 2 43 . 1 1 58 58 ILE N . . 0.0854 0.0017 . . . . . . . 5841 2 44 . 1 1 59 59 THR N . . 0.0780 0.0014 . . . . . . . 5841 2 45 . 1 1 60 60 TRP N . . 0.0883 0.0026 . . . . . . . 5841 2 46 . 1 1 62 62 SER N . . 0.0791 0.0013 . . . . . . . 5841 2 47 . 1 1 63 63 THR N . . 0.0797 0.0009801 . . . . . . . 5841 2 48 . 1 1 64 64 LYS N . . 0.0828 0.0022 . . . . . . . 5841 2 49 . 1 1 65 65 PHE N . . 0.0817 0.0015 . . . . . . . 5841 2 50 . 1 1 66 66 LYS N . . 0.0853 0.0015 . . . . . . . 5841 2 51 . 1 1 67 67 TRP N . . 0.0835 0.0018 . . . . . . . 5841 2 52 . 1 1 68 68 GLU N . . 0.0813 0.0019 . . . . . . . 5841 2 53 . 1 1 69 69 LEU N . . 0.0821 0.0018 . . . . . . . 5841 2 54 . 1 1 70 70 VAL N . . 0.0771 0.0017 . . . . . . . 5841 2 55 . 1 1 71 71 ASP N . . 0.0735 0.0023 . . . . . . . 5841 2 56 . 1 1 75 75 LEU N . . 0.0776 0.0017 . . . . . . . 5841 2 57 . 1 1 76 76 ASN N . . 0.0805 0.0020 . . . . . . . 5841 2 58 . 1 1 77 77 GLY N . . 0.0793 0.0012 . . . . . . . 5841 2 59 . 1 1 78 78 THR N . . 0.0745 0.0017 . . . . . . . 5841 2 60 . 1 1 79 79 LEU N . . 0.0758 0.0022 . . . . . . . 5841 2 61 . 1 1 80 80 VAL N . . 0.0808 0.0012 . . . . . . . 5841 2 62 . 1 1 81 81 ASN N . . 0.0703 0.0015 . . . . . . . 5841 2 63 . 1 1 82 82 SER N . . 0.0366 0.0027 . . . . . . . 5841 2 64 . 1 1 83 83 HIS N . . 0.0734 0.00087184 . . . . . . . 5841 2 65 . 1 1 84 84 SER N . . 0.0701 0.0066 . . . . . . . 5841 2 66 . 1 1 85 85 ILE N . . 0.0752 0.0014 . . . . . . . 5841 2 67 . 1 1 86 86 SER N . . 0.0749 0.0011 . . . . . . . 5841 2 68 . 1 1 87 87 HIS N . . 0.0820 0.0016 . . . . . . . 5841 2 69 . 1 1 89 89 ASP N . . 0.0837 0.0016 . . . . . . . 5841 2 70 . 1 1 90 90 LEU N . . 0.0832 0.0014 . . . . . . . 5841 2 71 . 1 1 91 91 GLY N . . 0.0944 0.0019 . . . . . . . 5841 2 72 . 1 1 92 92 SER N . . 0.0858 0.000824 . . . . . . . 5841 2 73 . 1 1 93 93 ARG N . . 0.0784 0.0013 . . . . . . . 5841 2 74 . 1 1 94 94 LYS N . . 0.0859 0.0015 . . . . . . . 5841 2 75 . 1 1 95 95 TRP N . . 0.0807 0.0014 . . . . . . . 5841 2 76 . 1 1 96 96 GLY N . . 0.0777 0.0017 . . . . . . . 5841 2 77 . 1 1 97 97 ASN N . . 0.0855 0.0016 . . . . . . . 5841 2 78 . 1 1 99 99 VAL N . . 0.0823 0.0013 . . . . . . . 5841 2 79 . 1 1 100 100 GLU N . . 0.0857 0.0012 . . . . . . . 5841 2 80 . 1 1 101 101 LEU N . . 0.0860 0.0020 . . . . . . . 5841 2 81 . 1 1 102 102 ALA N . . 0.0762 0.0031 . . . . . . . 5841 2 82 . 1 1 103 103 SER N . . 0.0807 0.0017 . . . . . . . 5841 2 83 . 1 1 104 104 ASP N . . 0.0719 0.0043 . . . . . . . 5841 2 84 . 1 1 105 105 ASP N . . 0.0712 0.0012 . . . . . . . 5841 2 85 . 1 1 106 106 ILE N . . 0.0852 0.0020 . . . . . . . 5841 2 86 . 1 1 107 107 ILE N . . 0.0709 0.0022 . . . . . . . 5841 2 87 . 1 1 108 108 THR N . . 0.0815 0.0017 . . . . . . . 5841 2 88 . 1 1 110 110 GLY N . . 0.0841 0.0015 . . . . . . . 5841 2 89 . 1 1 111 111 THR N . . 0.0818 0.0021 . . . . . . . 5841 2 90 . 1 1 112 112 THR N . . 0.0732 0.0027 . . . . . . . 5841 2 91 . 1 1 113 113 THR N . . 0.0786 0.0017 . . . . . . . 5841 2 92 . 1 1 114 114 LYS N . . 0.0851 0.0021 . . . . . . . 5841 2 93 . 1 1 115 115 VAL N . . 0.0776 0.0028 . . . . . . . 5841 2 94 . 1 1 116 116 TYR N . . 0.0782 0.0029 . . . . . . . 5841 2 95 . 1 1 117 117 VAL N . . 0.0633 0.0026 . . . . . . . 5841 2 96 . 1 1 118 118 ARG N . . 0.0818 0.0038 . . . . . . . 5841 2 97 . 1 1 120 120 SER N . . 0.0769 0.0027 . . . . . . . 5841 2 98 . 1 1 121 121 SER N . . 0.0809 0.0031 . . . . . . . 5841 2 99 . 1 1 122 122 GLN N . . 0.0994 0.0019 . . . . . . . 5841 2 100 . 1 1 123 123 ASN N . . 0.1197 0.0026 . . . . . . . 5841 2 101 . 1 1 124 124 GLU N . . 0.2445 0.0032 . . . . . . . 5841 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 5841 _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 . _Order_parameter_list.Tau_s_val_units . _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 . 5841 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 . . 0.26 . 0.97 0.03 . . . . . . . . . . . . . . . . . . . . . 5841 1 2 . 1 1 4 4 GLY N . . 0.33 . 0.99 0.05 . . . . . . . . . . . . . . . . . . . . . 5841 1 3 . 1 1 5 5 SER N . . 0.59 . 1.37 0.13 . . . . . . . . . . . . . . . . . . . . . 5841 1 4 . 1 1 6 6 SER N . . 0.91 . 1.61 0.56 . . . . . . . . . . . . . . . . . . . . . 5841 1 5 . 1 1 7 7 TRP N . . 0.99 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 6 . 1 1 8 8 LEU N . . 0.95 . 0.18 0.31 . . . . . . . . . . . . . . . . . . . . . 5841 1 7 . 1 1 9 9 PHE N . . 0.94 . 0.02 0.09 . . . . . . . . . . . . . . . . . . . . . 5841 1 8 . 1 1 10 10 LEU N . . 0.88 . 0.03 0.02 . . . . . . . . . . . . . . . . . . . . . 5841 1 9 . 1 1 11 11 GLU N . . 0.88 . 0.11 0.09 . . . . . . . . . . . . . . . . . . . . . 5841 1 10 . 1 1 12 12 VAL N . . 0.85 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 11 . 1 1 14 14 ALA N . . 0.91 . 0.03 0.06 . . . . . . . . . . . . . . . . . . . . . 5841 1 12 . 1 1 15 15 GLY N . . 0.98 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 13 . 1 1 17 17 ALA N . . 0.98 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 14 . 1 1 18 18 ILE N . . 0.85 . 0.02 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 15 . 1 1 19 19 GLY N . . 0.86 . 0.03 0.02 . . . . . . . . . . . . . . . . . . . . . 5841 1 16 . 1 1 20 20 LEU N . . 0.83 . 0.02 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 17 . 1 1 21 21 GLN N . . 0.82 . 0.03 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 18 . 1 1 22 22 HIS N . . 0.85 . 0.01 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 19 . 1 1 23 23 ALA N . . 0.98 . 0.07 0.24 . . . . . . . . . . . . . . . . . . . . . 5841 1 20 . 1 1 25 25 ASN N . . 0.9 . 0.09 0.09 . . . . . . . . . . . . . . . . . . . . . 5841 1 21 . 1 1 26 26 SER N . . 0.96 . 0.9 0.9 . . . . . . . . . . . . . . . . . . . . . 5841 1 22 . 1 1 27 27 THR N . . 0.93 . 1.46 0.71 . . . . . . . . . . . . . . . . . . . . . 5841 1 23 . 1 1 28 28 SER N . . 0.99 . 0.29 0.66 . . . . . . . . . . . . . . . . . . . . . 5841 1 24 . 1 1 29 29 SER N . . 0.59 . 1.92 0.12 . . . . . . . . . . . . . . . . . . . . . 5841 1 25 . 1 1 31 31 LYS N . . 0.97 . 0.33 0.28 . . . . . . . . . . . . . . . . . . . . . 5841 1 26 . 1 1 32 32 LEU N . . 0.82 . 0.02 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 27 . 1 1 34 34 VAL N . . 0.95 . 0.09 0.19 . . . . . . . . . . . . . . . . . . . . . 5841 1 28 . 1 1 35 35 LYS N . . 0.9 . 0.07 0.07 . . . . . . . . . . . . . . . . . . . . . 5841 1 29 . 1 1 37 37 GLY N . . 0.99 . 0.31 0.68 . . . . . . . . . . . . . . . . . . . . . 5841 1 30 . 1 1 38 38 ARG N . . 0.95 . 0.63 0.54 . . . . . . . . . . . . . . . . . . . . . 5841 1 31 . 1 1 39 39 VAL N . . 0.86 . 1.78 0.35 . . . . . . . . . . . . . . . . . . . . . 5841 1 32 . 1 1 42 42 SER N . . 0.61 . 1.91 0.14 . . . . . . . . . . . . . . . . . . . . . 5841 1 33 . 1 1 44 44 LEU N . . 0.9 . 0.04 0.03 . . . . . . . . . . . . . . . . . . . . . 5841 1 34 . 1 1 45 45 ALA N . . 0.83 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 35 . 1 1 46 46 LEU N . . 0.92 . 0.05 0.09 . . . . . . . . . . . . . . . . . . . . . 5841 1 36 . 1 1 47 47 LYS N . . 0.96 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 37 . 1 1 48 48 ASP N . . 0.65 . 0.11 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 38 . 1 1 49 49 SER N . . 0.95 . 0.81 0.93 . . . . . . . . . . . . . . . . . . . . . 5841 1 39 . 1 1 50 50 GLU N . . 0.69 . 1.86 0.23 . . . . . . . . . . . . . . . . . . . . . 5841 1 40 . 1 1 51 51 VAL N . . 0.94 . 1.45 0.74 . . . . . . . . . . . . . . . . . . . . . 5841 1 41 . 1 1 53 53 GLY N . . 0.98 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 42 . 1 1 54 54 LYS N . . 0.57 . 1.82 0.15 . . . . . . . . . . . . . . . . . . . . . 5841 1 43 . 1 1 55 55 HIS N . . 0.92 . 0.02 0.07 . . . . . . . . . . . . . . . . . . . . . 5841 1 44 . 1 1 56 56 ALA N . . 0.95 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 45 . 1 1 57 57 GLN N . . 0.92 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 46 . 1 1 58 58 ILE N . . 0.89 . 0.02 0.02 . . . . . . . . . . . . . . . . . . . . . 5841 1 47 . 1 1 59 59 THR N . . 0.96 . 0.04 0.14 . . . . . . . . . . . . . . . . . . . . . 5841 1 48 . 1 1 60 60 TRP N . . 0.92 . 0.13 0.2 . . . . . . . . . . . . . . . . . . . . . 5841 1 49 . 1 1 61 61 ASN N . . 0.95 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 50 . 1 1 62 62 SER N . . 0.93 . 1.5 0.71 . . . . . . . . . . . . . . . . . . . . . 5841 1 51 . 1 1 63 63 THR N . . 0.94 . 0.57 0.34 . . . . . . . . . . . . . . . . . . . . . 5841 1 52 . 1 1 64 64 LYS N . . 0.91 . 0.07 0.14 . . . . . . . . . . . . . . . . . . . . . 5841 1 53 . 1 1 65 65 PHE N . . 0.89 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 54 . 1 1 66 66 LYS N . . 0.83 . 0.02 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 55 . 1 1 67 67 TRP N . . 0.97 . 0.15 0.27 . . . . . . . . . . . . . . . . . . . . . 5841 1 56 . 1 1 68 68 GLU N . . 0.93 . 0.01 0.04 . . . . . . . . . . . . . . . . . . . . . 5841 1 57 . 1 1 69 69 LEU N . . 0.94 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 58 . 1 1 70 70 VAL N . . 0.95 . 0.49 0.27 . . . . . . . . . . . . . . . . . . . . . 5841 1 59 . 1 1 71 71 ASP N . . 0.98 . 0.36 0.72 . . . . . . . . . . . . . . . . . . . . . 5841 1 60 . 1 1 75 75 LEU N . . 0.96 . 0.98 0.88 . . . . . . . . . . . . . . . . . . . . . 5841 1 61 . 1 1 76 76 ASN N . . 0.96 . 1.1 0.89 . . . . . . . . . . . . . . . . . . . . . 5841 1 62 . 1 1 77 77 GLY N . . 0.99 . 0.02 0.1 . . . . . . . . . . . . . . . . . . . . . 5841 1 63 . 1 1 78 78 THR N . . 0.99 . 0.28 0.64 . . . . . . . . . . . . . . . . . . . . . 5841 1 64 . 1 1 79 79 LEU N . . 0.99 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 65 . 1 1 80 80 VAL N . . 0.99 . 0.26 0.63 . . . . . . . . . . . . . . . . . . . . . 5841 1 66 . 1 1 81 81 ASN N . . 0.99 . 0.04 0.17 . . . . . . . . . . . . . . . . . . . . . 5841 1 67 . 1 1 82 82 SER N . . 0.94 . 1.32 0.79 . . . . . . . . . . . . . . . . . . . . . 5841 1 68 . 1 1 83 83 HIS N . . 0.93 . 0.46 0.32 . . . . . . . . . . . . . . . . . . . . . 5841 1 69 . 1 1 84 84 SER N . . 0.88 . 1.6 0.57 . . . . . . . . . . . . . . . . . . . . . 5841 1 70 . 1 1 85 85 ILE N . . 0.89 . 1.68 0.48 . . . . . . . . . . . . . . . . . . . . . 5841 1 71 . 1 1 86 86 SER N . . 0.75 . 1.87 0.19 . . . . . . . . . . . . . . . . . . . . . 5841 1 72 . 1 1 87 87 HIS N . . 0.96 . 1.03 0.91 . . . . . . . . . . . . . . . . . . . . . 5841 1 73 . 1 1 89 89 ASP N . . 0.92 . 0.17 0.16 . . . . . . . . . . . . . . . . . . . . . 5841 1 74 . 1 1 90 90 LEU N . . 0.89 . 0.71 0.29 . . . . . . . . . . . . . . . . . . . . . 5841 1 75 . 1 1 91 91 GLY N . . 0.83 . 0.51 0.19 . . . . . . . . . . . . . . . . . . . . . 5841 1 76 . 1 1 92 92 SER N . . 0.71 . 1.87 0.2 . . . . . . . . . . . . . . . . . . . . . 5841 1 77 . 1 1 93 93 ARG N . . 0.82 . 1.8 0.32 . . . . . . . . . . . . . . . . . . . . . 5841 1 78 . 1 1 94 94 LYS N . . 0.9 . 1.2 0.56 . . . . . . . . . . . . . . . . . . . . . 5841 1 79 . 1 1 95 95 TRP N . . 0.95 . 0.42 0.57 . . . . . . . . . . . . . . . . . . . . . 5841 1 80 . 1 1 96 96 GLY N . . 0.96 . 1.24 0.84 . . . . . . . . . . . . . . . . . . . . . 5841 1 81 . 1 1 97 97 ASN N . . 0.96 . 0.19 0.29 . . . . . . . . . . . . . . . . . . . . . 5841 1 82 . 1 1 99 99 VAL N . . 0.94 . 0.02 0.07 . . . . . . . . . . . . . . . . . . . . . 5841 1 83 . 1 1 100 100 GLU N . . 0.89 . 0.09 0.11 . . . . . . . . . . . . . . . . . . . . . 5841 1 84 . 1 1 101 101 LEU N . . 0.86 . 0.03 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 85 . 1 1 102 102 ALA N . . 0.83 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 86 . 1 1 103 103 SER N . . 0.82 . 0.02 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 87 . 1 1 104 104 ASP N . . 0.91 . 1.64 0.54 . . . . . . . . . . . . . . . . . . . . . 5841 1 88 . 1 1 105 105 ASP N . . 0.9 . 0.02 0.02 . . . . . . . . . . . . . . . . . . . . . 5841 1 89 . 1 1 106 106 ILE N . . 0.92 . 0.01 0.01 . . . . . . . . . . . . . . . . . . . . . 5841 1 90 . 1 1 107 107 ILE N . . 0.91 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 91 . 1 1 108 108 THR N . . 0.99 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 92 . 1 1 109 109 LEU N . . 0.94 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 93 . 1 1 110 110 GLY N . . 0.99 . . . . . . . . . . . . . . . . . . . . . . . . 5841 1 94 . 1 1 111 111 THR N . . 0.88 . 1.7 0.45 . . . . . . . . . . . . . . . . . . . . . 5841 1 95 . 1 1 112 112 THR N . . 0.87 . 1.7 0.49 . . . . . . . . . . . . . . . . . . . . . 5841 1 96 . 1 1 114 114 LYS N . . 0.97 . 0.02 0.07 . . . . . . . . . . . . . . . . . . . . . 5841 1 97 . 1 1 115 115 VAL N . . 0.89 . 0.03 0.02 . . . . . . . . . . . . . . . . . . . . . 5841 1 98 . 1 1 116 116 TYR N . . 0.93 . 0.15 0.18 . . . . . . . . . . . . . . . . . . . . . 5841 1 99 . 1 1 117 117 VAL N . . 0.95 . 0.13 0.27 . . . . . . . . . . . . . . . . . . . . . 5841 1 100 . 1 1 118 118 ARG N . . 0.95 . 0.04 0.08 . . . . . . . . . . . . . . . . . . . . . 5841 1 101 . 1 1 120 120 SER N . . 0.95 . 0.19 0.23 . . . . . . . . . . . . . . . . . . . . . 5841 1 102 . 1 1 121 121 SER N . . 0.7 . 1.87 0.2 . . . . . . . . . . . . . . . . . . . . . 5841 1 103 . 1 1 122 122 GLN N . . 0.45 . 1.93 0.1 . . . . . . . . . . . . . . . . . . . . . 5841 1 104 . 1 1 123 123 ASN N . . 0.41 . 1.36 0.12 . . . . . . . . . . . . . . . . . . . . . 5841 1 stop_ save_