data_26710 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26710 _Entry.Title ; Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:05 in complex with the peptide pVIPR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-02 _Entry.Accession_date 2015-12-02 _Entry.Last_release_date 2015-12-22 _Entry.Original_release_date 2015-12-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Relaxation and model-free data from beta-2-microglobulin and the heavy chain of the MHC class I complex HLA-B*27:05 in complex with the nonamer peptide pVIPR (RRKWRRWHL). ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Martin Ballaschk . . . . 26710 2 Andreas Ziegler . . . . 26710 3 Barbara Uchanska-Ziegler . . . . 26710 4 Anne Diehl . . . . 26710 5 Peter Schmieder . . . . 26710 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 6 26710 order_parameters 3 26710 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'General relaxation values' 624 26710 'chemical shift anisotropy values' 237 26710 'heteronuclear NOE values' 474 26710 'order parameters' 237 26710 tensors 237 26710 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 . . 2015-12-22 . original BMRB . 26710 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19120 'Chemical shifts for the beta-2 Microglobulin subunit of HLA-B*27:05/pVIPR' 26710 BMRB 25714 'Chemical shifts for the heavy chain of of HLA-B*27:05/pVIPR' 26710 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 26710 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jmb.2007.05.067 _Citation.PubMed_ID 17585933 _Citation.Full_citation ; Horne J, d Auvergne EJ, Coles M, Velkov T, Chin Y, Charman WN, et al. Probing the Flexibility of the DsbA Oxidoreductase from Vibrio cholerae a 15N - 1H Heteronuclear NMR Relaxation Analysis of Oxidized and Reduced Forms of DsbA. J Mol Biol. 2007 Aug;371(3):703 16. ; _Citation.Title ; Probing the Flexibility of the DsbA Oxidoreductase from Vibrio cholerae - a 15N - 1H Heteronuclear NMR Relaxation Analysis of Oxidized and Reduced Forms of DsbA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 371 _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 703 _Citation.Page_last 716 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 James Horne . H. . . 26710 1 2 Edward d'Auvergne . J. . . 26710 1 3 Murray Coles C. H . . 26710 1 4 Tony Velkov V. H . . 26710 1 5 Yanni Chen C. H . . 26710 1 6 William Charman . N. . . 26710 1 7 Richard Prankerd P. H . . 26710 1 8 Paul Gooley . R. . . 26710 1 9 Martin J. . Scanlon . . 26710 1 stop_ save_ save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 26710 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s10858-007-9214-2 _Citation.PubMed_ID 18085410 _Citation.Full_citation ; d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models I. Minimisation algorithms and their performance within the model-free and Brownian rotational diffusion spaces. J. Biomol. NMR, 40(2), 107-119. ; _Citation.Title ; Optimisation of NMR dynamic models I. Minimisation algorithms and their performance within the model-free and Brownian rotational diffusion spaces. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 40 _Citation.Journal_issue 2 _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 107 _Citation.Page_last 119 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Edward d'Auvergne E. J. . . 26710 2 2 Paul Gooley P. R. . . 26710 2 stop_ save_ save_entry_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_3 _Citation.Entry_ID 26710 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s10858-007-9213-3 _Citation.PubMed_ID 18085411 _Citation.Full_citation ; d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. J. Biomol. NMR, 40(2), 121-133. ; _Citation.Title ; Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 40 _Citation.Journal_issue 2 _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 121 _Citation.Page_last 133 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Edward d'Auvergne E. J. . . 26710 3 2 Paul Gooley P. R. . . 26710 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26710 _Assembly.ID 1 _Assembly.Name B2705/pVIPR _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'heavy chain' 1 $1ogt-hkca_mol1 A . yes native no no . 'antigen binding' . 26710 1 2 b2m 2 $1ogt-hkca_mol2 B . yes native no no . structural . 26710 1 3 pVIPR 3 $1ogt-hkca_mol3 C . no native no no . antigen . 26710 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 116 116 SG . 1 . 1 CYS 179 179 SG . . . . . . . . . . 26710 1 2 disulfide single . 1 . 1 CYS 218 218 SG . 1 . 1 CYS 274 274 SG . . . . . . . . . . 26710 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . . . . . . . . 26710 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_1ogt-hkca_mol1 _Entity.Sf_category entity _Entity.Sf_framecode 1ogt-hkca_mol1 _Entity.Entry_ID 26710 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 1ogt-hkca_mol1 _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 ; MAHHHHHHVDDDDKIGSHSM RYFHTSVSRPGRGEPRFITV GYVDDTLFVRFDSDAASPRE EPRAPWIEQEGPEYWDRETQ ICKAKAQTDREDLRTLLRYY NQSEAGSHTLQNMYGCDVGP DGRLLRGYHQDAYDGKDYIA LNEDLSSWTAADTAAQITQR KWEAARVAEQLRAYLEGECV EWLRRYLENGKETLQRADPP KTHVTHHPISDHEATLRCWA LGFYPAEITLTWQRDGEDQT QDTELVETRPAGDRTFQKWA AVVVPSGEEQRYTCHVQHEG LPKPLTLRWEPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-15 (-14-0) represent a non-native affinity tag. This is the extracellular domain of a membrane protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 292 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'HLA-B*27:05, extracellular domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 -14 MET . 26710 1 2 -13 ALA . 26710 1 3 -12 HIS . 26710 1 4 -11 HIS . 26710 1 5 -10 HIS . 26710 1 6 -9 HIS . 26710 1 7 -8 HIS . 26710 1 8 -7 HIS . 26710 1 9 -6 VAL . 26710 1 10 -5 ASP . 26710 1 11 -4 ASP . 26710 1 12 -3 ASP . 26710 1 13 -2 ASP . 26710 1 14 -1 LYS . 26710 1 15 0 ILE . 26710 1 16 1 GLY . 26710 1 17 2 SER . 26710 1 18 3 HIS . 26710 1 19 4 SER . 26710 1 20 5 MET . 26710 1 21 6 ARG . 26710 1 22 7 TYR . 26710 1 23 8 PHE . 26710 1 24 9 HIS . 26710 1 25 10 THR . 26710 1 26 11 SER . 26710 1 27 12 VAL . 26710 1 28 13 SER . 26710 1 29 14 ARG . 26710 1 30 15 PRO . 26710 1 31 16 GLY . 26710 1 32 17 ARG . 26710 1 33 18 GLY . 26710 1 34 19 GLU . 26710 1 35 20 PRO . 26710 1 36 21 ARG . 26710 1 37 22 PHE . 26710 1 38 23 ILE . 26710 1 39 24 THR . 26710 1 40 25 VAL . 26710 1 41 26 GLY . 26710 1 42 27 TYR . 26710 1 43 28 VAL . 26710 1 44 29 ASP . 26710 1 45 30 ASP . 26710 1 46 31 THR . 26710 1 47 32 LEU . 26710 1 48 33 PHE . 26710 1 49 34 VAL . 26710 1 50 35 ARG . 26710 1 51 36 PHE . 26710 1 52 37 ASP . 26710 1 53 38 SER . 26710 1 54 39 ASP . 26710 1 55 40 ALA . 26710 1 56 41 ALA . 26710 1 57 42 SER . 26710 1 58 43 PRO . 26710 1 59 44 ARG . 26710 1 60 45 GLU . 26710 1 61 46 GLU . 26710 1 62 47 PRO . 26710 1 63 48 ARG . 26710 1 64 49 ALA . 26710 1 65 50 PRO . 26710 1 66 51 TRP . 26710 1 67 52 ILE . 26710 1 68 53 GLU . 26710 1 69 54 GLN . 26710 1 70 55 GLU . 26710 1 71 56 GLY . 26710 1 72 57 PRO . 26710 1 73 58 GLU . 26710 1 74 59 TYR . 26710 1 75 60 TRP . 26710 1 76 61 ASP . 26710 1 77 62 ARG . 26710 1 78 63 GLU . 26710 1 79 64 THR . 26710 1 80 65 GLN . 26710 1 81 66 ILE . 26710 1 82 67 CYS . 26710 1 83 68 LYS . 26710 1 84 69 ALA . 26710 1 85 70 LYS . 26710 1 86 71 ALA . 26710 1 87 72 GLN . 26710 1 88 73 THR . 26710 1 89 74 ASP . 26710 1 90 75 ARG . 26710 1 91 76 GLU . 26710 1 92 77 ASP . 26710 1 93 78 LEU . 26710 1 94 79 ARG . 26710 1 95 80 THR . 26710 1 96 81 LEU . 26710 1 97 82 LEU . 26710 1 98 83 ARG . 26710 1 99 84 TYR . 26710 1 100 85 TYR . 26710 1 101 86 ASN . 26710 1 102 87 GLN . 26710 1 103 88 SER . 26710 1 104 89 GLU . 26710 1 105 90 ALA . 26710 1 106 91 GLY . 26710 1 107 92 SER . 26710 1 108 93 HIS . 26710 1 109 94 THR . 26710 1 110 95 LEU . 26710 1 111 96 GLN . 26710 1 112 97 ASN . 26710 1 113 98 MET . 26710 1 114 99 TYR . 26710 1 115 100 GLY . 26710 1 116 101 CYS . 26710 1 117 102 ASP . 26710 1 118 103 VAL . 26710 1 119 104 GLY . 26710 1 120 105 PRO . 26710 1 121 106 ASP . 26710 1 122 107 GLY . 26710 1 123 108 ARG . 26710 1 124 109 LEU . 26710 1 125 110 LEU . 26710 1 126 111 ARG . 26710 1 127 112 GLY . 26710 1 128 113 TYR . 26710 1 129 114 HIS . 26710 1 130 115 GLN . 26710 1 131 116 ASP . 26710 1 132 117 ALA . 26710 1 133 118 TYR . 26710 1 134 119 ASP . 26710 1 135 120 GLY . 26710 1 136 121 LYS . 26710 1 137 122 ASP . 26710 1 138 123 TYR . 26710 1 139 124 ILE . 26710 1 140 125 ALA . 26710 1 141 126 LEU . 26710 1 142 127 ASN . 26710 1 143 128 GLU . 26710 1 144 129 ASP . 26710 1 145 130 LEU . 26710 1 146 131 SER . 26710 1 147 132 SER . 26710 1 148 133 TRP . 26710 1 149 134 THR . 26710 1 150 135 ALA . 26710 1 151 136 ALA . 26710 1 152 137 ASP . 26710 1 153 138 THR . 26710 1 154 139 ALA . 26710 1 155 140 ALA . 26710 1 156 141 GLN . 26710 1 157 142 ILE . 26710 1 158 143 THR . 26710 1 159 144 GLN . 26710 1 160 145 ARG . 26710 1 161 146 LYS . 26710 1 162 147 TRP . 26710 1 163 148 GLU . 26710 1 164 149 ALA . 26710 1 165 150 ALA . 26710 1 166 151 ARG . 26710 1 167 152 VAL . 26710 1 168 153 ALA . 26710 1 169 154 GLU . 26710 1 170 155 GLN . 26710 1 171 156 LEU . 26710 1 172 157 ARG . 26710 1 173 158 ALA . 26710 1 174 159 TYR . 26710 1 175 160 LEU . 26710 1 176 161 GLU . 26710 1 177 162 GLY . 26710 1 178 163 GLU . 26710 1 179 164 CYS . 26710 1 180 165 VAL . 26710 1 181 166 GLU . 26710 1 182 167 TRP . 26710 1 183 168 LEU . 26710 1 184 169 ARG . 26710 1 185 170 ARG . 26710 1 186 171 TYR . 26710 1 187 172 LEU . 26710 1 188 173 GLU . 26710 1 189 174 ASN . 26710 1 190 175 GLY . 26710 1 191 176 LYS . 26710 1 192 177 GLU . 26710 1 193 178 THR . 26710 1 194 179 LEU . 26710 1 195 180 GLN . 26710 1 196 181 ARG . 26710 1 197 182 ALA . 26710 1 198 183 ASP . 26710 1 199 184 PRO . 26710 1 200 185 PRO . 26710 1 201 186 LYS . 26710 1 202 187 THR . 26710 1 203 188 HIS . 26710 1 204 189 VAL . 26710 1 205 190 THR . 26710 1 206 191 HIS . 26710 1 207 192 HIS . 26710 1 208 193 PRO . 26710 1 209 194 ILE . 26710 1 210 195 SER . 26710 1 211 196 ASP . 26710 1 212 197 HIS . 26710 1 213 198 GLU . 26710 1 214 199 ALA . 26710 1 215 200 THR . 26710 1 216 201 LEU . 26710 1 217 202 ARG . 26710 1 218 203 CYS . 26710 1 219 204 TRP . 26710 1 220 205 ALA . 26710 1 221 206 LEU . 26710 1 222 207 GLY . 26710 1 223 208 PHE . 26710 1 224 209 TYR . 26710 1 225 210 PRO . 26710 1 226 211 ALA . 26710 1 227 212 GLU . 26710 1 228 213 ILE . 26710 1 229 214 THR . 26710 1 230 215 LEU . 26710 1 231 216 THR . 26710 1 232 217 TRP . 26710 1 233 218 GLN . 26710 1 234 219 ARG . 26710 1 235 220 ASP . 26710 1 236 221 GLY . 26710 1 237 222 GLU . 26710 1 238 223 ASP . 26710 1 239 224 GLN . 26710 1 240 225 THR . 26710 1 241 226 GLN . 26710 1 242 227 ASP . 26710 1 243 228 THR . 26710 1 244 229 GLU . 26710 1 245 230 LEU . 26710 1 246 231 VAL . 26710 1 247 232 GLU . 26710 1 248 233 THR . 26710 1 249 234 ARG . 26710 1 250 235 PRO . 26710 1 251 236 ALA . 26710 1 252 237 GLY . 26710 1 253 238 ASP . 26710 1 254 239 ARG . 26710 1 255 240 THR . 26710 1 256 241 PHE . 26710 1 257 242 GLN . 26710 1 258 243 LYS . 26710 1 259 244 TRP . 26710 1 260 245 ALA . 26710 1 261 246 ALA . 26710 1 262 247 VAL . 26710 1 263 248 VAL . 26710 1 264 249 VAL . 26710 1 265 250 PRO . 26710 1 266 251 SER . 26710 1 267 252 GLY . 26710 1 268 253 GLU . 26710 1 269 254 GLU . 26710 1 270 255 GLN . 26710 1 271 256 ARG . 26710 1 272 257 TYR . 26710 1 273 258 THR . 26710 1 274 259 CYS . 26710 1 275 260 HIS . 26710 1 276 261 VAL . 26710 1 277 262 GLN . 26710 1 278 263 HIS . 26710 1 279 264 GLU . 26710 1 280 265 GLY . 26710 1 281 266 LEU . 26710 1 282 267 PRO . 26710 1 283 268 LYS . 26710 1 284 269 PRO . 26710 1 285 270 LEU . 26710 1 286 271 THR . 26710 1 287 272 LEU . 26710 1 288 273 ARG . 26710 1 289 274 TRP . 26710 1 290 275 GLU . 26710 1 291 276 PRO . 26710 1 292 277 SER . 26710 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26710 1 . ALA 2 2 26710 1 . HIS 3 3 26710 1 . HIS 4 4 26710 1 . HIS 5 5 26710 1 . HIS 6 6 26710 1 . HIS 7 7 26710 1 . HIS 8 8 26710 1 . VAL 9 9 26710 1 . ASP 10 10 26710 1 . ASP 11 11 26710 1 . ASP 12 12 26710 1 . ASP 13 13 26710 1 . LYS 14 14 26710 1 . ILE 15 15 26710 1 . GLY 16 16 26710 1 . SER 17 17 26710 1 . HIS 18 18 26710 1 . SER 19 19 26710 1 . MET 20 20 26710 1 . ARG 21 21 26710 1 . TYR 22 22 26710 1 . PHE 23 23 26710 1 . HIS 24 24 26710 1 . THR 25 25 26710 1 . SER 26 26 26710 1 . VAL 27 27 26710 1 . SER 28 28 26710 1 . ARG 29 29 26710 1 . PRO 30 30 26710 1 . GLY 31 31 26710 1 . ARG 32 32 26710 1 . GLY 33 33 26710 1 . GLU 34 34 26710 1 . PRO 35 35 26710 1 . ARG 36 36 26710 1 . PHE 37 37 26710 1 . ILE 38 38 26710 1 . THR 39 39 26710 1 . VAL 40 40 26710 1 . GLY 41 41 26710 1 . TYR 42 42 26710 1 . VAL 43 43 26710 1 . ASP 44 44 26710 1 . ASP 45 45 26710 1 . THR 46 46 26710 1 . LEU 47 47 26710 1 . PHE 48 48 26710 1 . VAL 49 49 26710 1 . ARG 50 50 26710 1 . PHE 51 51 26710 1 . ASP 52 52 26710 1 . SER 53 53 26710 1 . ASP 54 54 26710 1 . ALA 55 55 26710 1 . ALA 56 56 26710 1 . SER 57 57 26710 1 . PRO 58 58 26710 1 . ARG 59 59 26710 1 . GLU 60 60 26710 1 . GLU 61 61 26710 1 . PRO 62 62 26710 1 . ARG 63 63 26710 1 . ALA 64 64 26710 1 . PRO 65 65 26710 1 . TRP 66 66 26710 1 . ILE 67 67 26710 1 . GLU 68 68 26710 1 . GLN 69 69 26710 1 . GLU 70 70 26710 1 . GLY 71 71 26710 1 . PRO 72 72 26710 1 . GLU 73 73 26710 1 . TYR 74 74 26710 1 . TRP 75 75 26710 1 . ASP 76 76 26710 1 . ARG 77 77 26710 1 . GLU 78 78 26710 1 . THR 79 79 26710 1 . GLN 80 80 26710 1 . ILE 81 81 26710 1 . CYS 82 82 26710 1 . LYS 83 83 26710 1 . ALA 84 84 26710 1 . LYS 85 85 26710 1 . ALA 86 86 26710 1 . GLN 87 87 26710 1 . THR 88 88 26710 1 . ASP 89 89 26710 1 . ARG 90 90 26710 1 . GLU 91 91 26710 1 . ASP 92 92 26710 1 . LEU 93 93 26710 1 . ARG 94 94 26710 1 . THR 95 95 26710 1 . LEU 96 96 26710 1 . LEU 97 97 26710 1 . ARG 98 98 26710 1 . TYR 99 99 26710 1 . TYR 100 100 26710 1 . ASN 101 101 26710 1 . GLN 102 102 26710 1 . SER 103 103 26710 1 . GLU 104 104 26710 1 . ALA 105 105 26710 1 . GLY 106 106 26710 1 . SER 107 107 26710 1 . HIS 108 108 26710 1 . THR 109 109 26710 1 . LEU 110 110 26710 1 . GLN 111 111 26710 1 . ASN 112 112 26710 1 . MET 113 113 26710 1 . TYR 114 114 26710 1 . GLY 115 115 26710 1 . CYS 116 116 26710 1 . ASP 117 117 26710 1 . VAL 118 118 26710 1 . GLY 119 119 26710 1 . PRO 120 120 26710 1 . ASP 121 121 26710 1 . GLY 122 122 26710 1 . ARG 123 123 26710 1 . LEU 124 124 26710 1 . LEU 125 125 26710 1 . ARG 126 126 26710 1 . GLY 127 127 26710 1 . TYR 128 128 26710 1 . HIS 129 129 26710 1 . GLN 130 130 26710 1 . ASP 131 131 26710 1 . ALA 132 132 26710 1 . TYR 133 133 26710 1 . ASP 134 134 26710 1 . GLY 135 135 26710 1 . LYS 136 136 26710 1 . ASP 137 137 26710 1 . TYR 138 138 26710 1 . ILE 139 139 26710 1 . ALA 140 140 26710 1 . LEU 141 141 26710 1 . ASN 142 142 26710 1 . GLU 143 143 26710 1 . ASP 144 144 26710 1 . LEU 145 145 26710 1 . SER 146 146 26710 1 . SER 147 147 26710 1 . TRP 148 148 26710 1 . THR 149 149 26710 1 . ALA 150 150 26710 1 . ALA 151 151 26710 1 . ASP 152 152 26710 1 . THR 153 153 26710 1 . ALA 154 154 26710 1 . ALA 155 155 26710 1 . GLN 156 156 26710 1 . ILE 157 157 26710 1 . THR 158 158 26710 1 . GLN 159 159 26710 1 . ARG 160 160 26710 1 . LYS 161 161 26710 1 . TRP 162 162 26710 1 . GLU 163 163 26710 1 . ALA 164 164 26710 1 . ALA 165 165 26710 1 . ARG 166 166 26710 1 . VAL 167 167 26710 1 . ALA 168 168 26710 1 . GLU 169 169 26710 1 . GLN 170 170 26710 1 . LEU 171 171 26710 1 . ARG 172 172 26710 1 . ALA 173 173 26710 1 . TYR 174 174 26710 1 . LEU 175 175 26710 1 . GLU 176 176 26710 1 . GLY 177 177 26710 1 . GLU 178 178 26710 1 . CYS 179 179 26710 1 . VAL 180 180 26710 1 . GLU 181 181 26710 1 . TRP 182 182 26710 1 . LEU 183 183 26710 1 . ARG 184 184 26710 1 . ARG 185 185 26710 1 . TYR 186 186 26710 1 . LEU 187 187 26710 1 . GLU 188 188 26710 1 . ASN 189 189 26710 1 . GLY 190 190 26710 1 . LYS 191 191 26710 1 . GLU 192 192 26710 1 . THR 193 193 26710 1 . LEU 194 194 26710 1 . GLN 195 195 26710 1 . ARG 196 196 26710 1 . ALA 197 197 26710 1 . ASP 198 198 26710 1 . PRO 199 199 26710 1 . PRO 200 200 26710 1 . LYS 201 201 26710 1 . THR 202 202 26710 1 . HIS 203 203 26710 1 . VAL 204 204 26710 1 . THR 205 205 26710 1 . HIS 206 206 26710 1 . HIS 207 207 26710 1 . PRO 208 208 26710 1 . ILE 209 209 26710 1 . SER 210 210 26710 1 . ASP 211 211 26710 1 . HIS 212 212 26710 1 . GLU 213 213 26710 1 . ALA 214 214 26710 1 . THR 215 215 26710 1 . LEU 216 216 26710 1 . ARG 217 217 26710 1 . CYS 218 218 26710 1 . TRP 219 219 26710 1 . ALA 220 220 26710 1 . LEU 221 221 26710 1 . GLY 222 222 26710 1 . PHE 223 223 26710 1 . TYR 224 224 26710 1 . PRO 225 225 26710 1 . ALA 226 226 26710 1 . GLU 227 227 26710 1 . ILE 228 228 26710 1 . THR 229 229 26710 1 . LEU 230 230 26710 1 . THR 231 231 26710 1 . TRP 232 232 26710 1 . GLN 233 233 26710 1 . ARG 234 234 26710 1 . ASP 235 235 26710 1 . GLY 236 236 26710 1 . GLU 237 237 26710 1 . ASP 238 238 26710 1 . GLN 239 239 26710 1 . THR 240 240 26710 1 . GLN 241 241 26710 1 . ASP 242 242 26710 1 . THR 243 243 26710 1 . GLU 244 244 26710 1 . LEU 245 245 26710 1 . VAL 246 246 26710 1 . GLU 247 247 26710 1 . THR 248 248 26710 1 . ARG 249 249 26710 1 . PRO 250 250 26710 1 . ALA 251 251 26710 1 . GLY 252 252 26710 1 . ASP 253 253 26710 1 . ARG 254 254 26710 1 . THR 255 255 26710 1 . PHE 256 256 26710 1 . GLN 257 257 26710 1 . LYS 258 258 26710 1 . TRP 259 259 26710 1 . ALA 260 260 26710 1 . ALA 261 261 26710 1 . VAL 262 262 26710 1 . VAL 263 263 26710 1 . VAL 264 264 26710 1 . PRO 265 265 26710 1 . SER 266 266 26710 1 . GLY 267 267 26710 1 . GLU 268 268 26710 1 . GLU 269 269 26710 1 . GLN 270 270 26710 1 . ARG 271 271 26710 1 . TYR 272 272 26710 1 . THR 273 273 26710 1 . CYS 274 274 26710 1 . HIS 275 275 26710 1 . VAL 276 276 26710 1 . GLN 277 277 26710 1 . HIS 278 278 26710 1 . GLU 279 279 26710 1 . GLY 280 280 26710 1 . LEU 281 281 26710 1 . PRO 282 282 26710 1 . LYS 283 283 26710 1 . PRO 284 284 26710 1 . LEU 285 285 26710 1 . THR 286 286 26710 1 . LEU 287 287 26710 1 . ARG 288 288 26710 1 . TRP 289 289 26710 1 . GLU 290 290 26710 1 . PRO 291 291 26710 1 . SER 292 292 26710 1 stop_ save_ save_1ogt-hkca_mol2 _Entity.Sf_category entity _Entity.Sf_framecode 1ogt-hkca_mol2 _Entity.Entry_ID 26710 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 1ogt-hkca_mol2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first residue (0, M) is the start codon from the bacterial expression system and hence not present in the native protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment human_beta-2_microglobulin _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11864.3434 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 0 MET . 26710 2 2 1 ILE . 26710 2 3 2 GLN . 26710 2 4 3 ARG . 26710 2 5 4 THR . 26710 2 6 5 PRO . 26710 2 7 6 LYS . 26710 2 8 7 ILE . 26710 2 9 8 GLN . 26710 2 10 9 VAL . 26710 2 11 10 TYR . 26710 2 12 11 SER . 26710 2 13 12 ARG . 26710 2 14 13 HIS . 26710 2 15 14 PRO . 26710 2 16 15 ALA . 26710 2 17 16 GLU . 26710 2 18 17 ASN . 26710 2 19 18 GLY . 26710 2 20 19 LYS . 26710 2 21 20 SER . 26710 2 22 21 ASN . 26710 2 23 22 PHE . 26710 2 24 23 LEU . 26710 2 25 24 ASN . 26710 2 26 25 CYS . 26710 2 27 26 TYR . 26710 2 28 27 VAL . 26710 2 29 28 SER . 26710 2 30 29 GLY . 26710 2 31 30 PHE . 26710 2 32 31 HIS . 26710 2 33 32 PRO . 26710 2 34 33 SER . 26710 2 35 34 ASP . 26710 2 36 35 ILE . 26710 2 37 36 GLU . 26710 2 38 37 VAL . 26710 2 39 38 ASP . 26710 2 40 39 LEU . 26710 2 41 40 LEU . 26710 2 42 41 LYS . 26710 2 43 42 ASN . 26710 2 44 43 GLY . 26710 2 45 44 GLU . 26710 2 46 45 ARG . 26710 2 47 46 ILE . 26710 2 48 47 GLU . 26710 2 49 48 LYS . 26710 2 50 49 VAL . 26710 2 51 50 GLU . 26710 2 52 51 HIS . 26710 2 53 52 SER . 26710 2 54 53 ASP . 26710 2 55 54 LEU . 26710 2 56 55 SER . 26710 2 57 56 PHE . 26710 2 58 57 SER . 26710 2 59 58 LYS . 26710 2 60 59 ASP . 26710 2 61 60 TRP . 26710 2 62 61 SER . 26710 2 63 62 PHE . 26710 2 64 63 TYR . 26710 2 65 64 LEU . 26710 2 66 65 LEU . 26710 2 67 66 TYR . 26710 2 68 67 TYR . 26710 2 69 68 THR . 26710 2 70 69 GLU . 26710 2 71 70 PHE . 26710 2 72 71 THR . 26710 2 73 72 PRO . 26710 2 74 73 THR . 26710 2 75 74 GLU . 26710 2 76 75 LYS . 26710 2 77 76 ASP . 26710 2 78 77 GLU . 26710 2 79 78 TYR . 26710 2 80 79 ALA . 26710 2 81 80 CYS . 26710 2 82 81 ARG . 26710 2 83 82 VAL . 26710 2 84 83 ASN . 26710 2 85 84 HIS . 26710 2 86 85 VAL . 26710 2 87 86 THR . 26710 2 88 87 LEU . 26710 2 89 88 SER . 26710 2 90 89 GLN . 26710 2 91 90 PRO . 26710 2 92 91 LYS . 26710 2 93 92 ILE . 26710 2 94 93 VAL . 26710 2 95 94 LYS . 26710 2 96 95 TRP . 26710 2 97 96 ASP . 26710 2 98 97 ARG . 26710 2 99 98 ASP . 26710 2 100 99 MET . 26710 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26710 2 . ILE 2 2 26710 2 . GLN 3 3 26710 2 . ARG 4 4 26710 2 . THR 5 5 26710 2 . PRO 6 6 26710 2 . LYS 7 7 26710 2 . ILE 8 8 26710 2 . GLN 9 9 26710 2 . VAL 10 10 26710 2 . TYR 11 11 26710 2 . SER 12 12 26710 2 . ARG 13 13 26710 2 . HIS 14 14 26710 2 . PRO 15 15 26710 2 . ALA 16 16 26710 2 . GLU 17 17 26710 2 . ASN 18 18 26710 2 . GLY 19 19 26710 2 . LYS 20 20 26710 2 . SER 21 21 26710 2 . ASN 22 22 26710 2 . PHE 23 23 26710 2 . LEU 24 24 26710 2 . ASN 25 25 26710 2 . CYS 26 26 26710 2 . TYR 27 27 26710 2 . VAL 28 28 26710 2 . SER 29 29 26710 2 . GLY 30 30 26710 2 . PHE 31 31 26710 2 . HIS 32 32 26710 2 . PRO 33 33 26710 2 . SER 34 34 26710 2 . ASP 35 35 26710 2 . ILE 36 36 26710 2 . GLU 37 37 26710 2 . VAL 38 38 26710 2 . ASP 39 39 26710 2 . LEU 40 40 26710 2 . LEU 41 41 26710 2 . LYS 42 42 26710 2 . ASN 43 43 26710 2 . GLY 44 44 26710 2 . GLU 45 45 26710 2 . ARG 46 46 26710 2 . ILE 47 47 26710 2 . GLU 48 48 26710 2 . LYS 49 49 26710 2 . VAL 50 50 26710 2 . GLU 51 51 26710 2 . HIS 52 52 26710 2 . SER 53 53 26710 2 . ASP 54 54 26710 2 . LEU 55 55 26710 2 . SER 56 56 26710 2 . PHE 57 57 26710 2 . SER 58 58 26710 2 . LYS 59 59 26710 2 . ASP 60 60 26710 2 . TRP 61 61 26710 2 . SER 62 62 26710 2 . PHE 63 63 26710 2 . TYR 64 64 26710 2 . LEU 65 65 26710 2 . LEU 66 66 26710 2 . TYR 67 67 26710 2 . TYR 68 68 26710 2 . THR 69 69 26710 2 . GLU 70 70 26710 2 . PHE 71 71 26710 2 . THR 72 72 26710 2 . PRO 73 73 26710 2 . THR 74 74 26710 2 . GLU 75 75 26710 2 . LYS 76 76 26710 2 . ASP 77 77 26710 2 . GLU 78 78 26710 2 . TYR 79 79 26710 2 . ALA 80 80 26710 2 . CYS 81 81 26710 2 . ARG 82 82 26710 2 . VAL 83 83 26710 2 . ASN 84 84 26710 2 . HIS 85 85 26710 2 . VAL 86 86 26710 2 . THR 87 87 26710 2 . LEU 88 88 26710 2 . SER 89 89 26710 2 . GLN 90 90 26710 2 . PRO 91 91 26710 2 . LYS 92 92 26710 2 . ILE 93 93 26710 2 . VAL 94 94 26710 2 . LYS 95 95 26710 2 . TRP 96 96 26710 2 . ASP 97 97 26710 2 . ARG 98 98 26710 2 . ASP 99 99 26710 2 . MET 100 100 26710 2 stop_ save_ save_1ogt-hkca_mol3 _Entity.Sf_category entity _Entity.Sf_framecode 1ogt-hkca_mol3 _Entity.Entry_ID 26710 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 1ogt-hkca_mol3 _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 ; RRKWRRWHL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This antigen is derived from vasoactive intestinal peptide type 1 receptor.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment pVIPR _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . ARG . 26710 3 2 . ARG . 26710 3 3 . LYS . 26710 3 4 . TRP . 26710 3 5 . ARG . 26710 3 6 . ARG . 26710 3 7 . TRP . 26710 3 8 . HIS . 26710 3 9 . LEU . 26710 3 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 . ARG 1 1 26710 3 . ARG 2 2 26710 3 . LYS 3 3 26710 3 . TRP 4 4 26710 3 . ARG 5 5 26710 3 . ARG 6 6 26710 3 . TRP 7 7 26710 3 . HIS 8 8 26710 3 . LEU 9 9 26710 3 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 26710 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $1ogt-hkca_mol1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26710 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 26710 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $1ogt-hkca_mol1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) Rosetta2 . . . . 'pET 46 Ek/LIC' . . . 26710 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26710 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'heavy chain' '[U-15N; U-2H]' . . 1 $1ogt-hkca_mol1 . . 0.330 . . mM . . . . 26710 1 2 b2m 'natural abundance' . . 2 $1ogt-hkca_mol2 . . 0.330 . . mM . . . . 26710 1 3 pVIPR 'natural abundance' . . 3 $1ogt-hkca_mol3 . . 0.330 . . mM . . . . 26710 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26710 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26710 1 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26710 1 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26710 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26710 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'heavy chain' [U-2H] . . 1 $1ogt-hkca_mol1 . . 0.330 . . mM . . . . 26710 2 2 b2m [U-15N] . . 2 $1ogt-hkca_mol2 . . 0.330 . . mM . . . . 26710 2 3 pVIPR 'natural abundance' . . 3 $1ogt-hkca_mol3 . . 0.330 . . mM . . . . 26710 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26710 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26710 2 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26710 2 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26710 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26710 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.160 . M 26710 1 pH 7.5 . pH 26710 1 pressure 1 . atm 26710 1 temperature 310 . K 26710 1 stop_ save_ ############################ # Computer software used # ############################ save_relax _Software.Sf_category software _Software.Sf_framecode relax _Software.Entry_ID 26710 _Software.ID 1 _Software.Name relax _Software.Version 'repository checkout' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'The relax development team' . http://www.nmr-relax.com 26710 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 26710 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26710 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 600 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number 600 _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26710 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 750 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number 750 _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26710 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance 600 600 600 . . 26710 1 2 spectrometer_2 Bruker Avance 750 750 750 . . 26710 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 26710 _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 '600.18 MHz R1' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26710 1 2 '600.18 MHz R2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26710 1 3 '600.18 MHz steady-state NOE' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26710 1 4 '750.46 MHz R1' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26710 1 5 '750.46 MHz R2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26710 1 6 '750.46 MHz steady-state NOE' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26710 1 7 '600.18 MHz R1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26710 1 8 '600.18 MHz R2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26710 1 9 '600.18 MHz steady-state NOE' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26710 1 10 '750.46 MHz R1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26710 1 11 '750.46 MHz R2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26710 1 12 '750.46 MHz steady-state NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26710 1 stop_ save_ ############################### # Chemical shift anisotropy # ############################### save_chem_shift_anisotropy_list_1 _Chem_shift_anisotropy.Sf_category chem_shift_anisotropy _Chem_shift_anisotropy.Sf_framecode chem_shift_anisotropy_list_1 _Chem_shift_anisotropy.Entry_ID 26710 _Chem_shift_anisotropy.ID 1 _Chem_shift_anisotropy.Sample_condition_list_ID 1 _Chem_shift_anisotropy.Sample_condition_list_label $sample_conditions_1 _Chem_shift_anisotropy.Spectrometer_frequency_1H . _Chem_shift_anisotropy.Val_units ppm _Chem_shift_anisotropy.Details . _Chem_shift_anisotropy.Text_data_format . _Chem_shift_anisotropy.Text_data . loop_ _CS_anisotropy_experiment.Experiment_ID _CS_anisotropy_experiment.Experiment_name _CS_anisotropy_experiment.Sample_ID _CS_anisotropy_experiment.Sample_label _CS_anisotropy_experiment.Sample_state _CS_anisotropy_experiment.Entry_ID _CS_anisotropy_experiment.Chem_shift_anisotropy_ID . . 1 $sample_1 . 26710 1 stop_ loop_ _CS_anisotropy.ID _CS_anisotropy.Assembly_atom_ID _CS_anisotropy.Entity_assembly_ID _CS_anisotropy.Entity_ID _CS_anisotropy.Comp_index_ID _CS_anisotropy.Seq_ID _CS_anisotropy.Comp_ID _CS_anisotropy.Atom_ID _CS_anisotropy.Atom_type _CS_anisotropy.Atom_isotope_number _CS_anisotropy.Val _CS_anisotropy.Val_err _CS_anisotropy.Principal_value_sigma_11_val _CS_anisotropy.Principal_value_sigma_22_val _CS_anisotropy.Principal_value_sigma_33_val _CS_anisotropy.Principal_Euler_angle_alpha_val _CS_anisotropy.Principal_Euler_angle_beta_val _CS_anisotropy.Principal_Euler_angle_gamma_val _CS_anisotropy.Bond_length _CS_anisotropy.Resonance_ID _CS_anisotropy.Auth_entity_assembly_ID _CS_anisotropy.Auth_seq_ID _CS_anisotropy.Auth_comp_ID _CS_anisotropy.Auth_atom_ID _CS_anisotropy.Entry_ID _CS_anisotropy.Chem_shift_anisotropy_ID 1 . 2 2 3 3 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 1 2 . 2 2 8 8 ILE N N 15 -172.0 . . . . . . . . . . . . . 26710 1 3 . 2 2 9 9 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 1 4 . 2 2 12 12 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 1 5 . 2 2 13 13 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 1 6 . 2 2 14 14 HIS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 7 . 2 2 17 17 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 8 . 2 2 19 19 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 1 9 . 2 2 20 20 LYS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 10 . 2 2 23 23 PHE N N 15 -172.0 . . . . . . . . . . . . . 26710 1 11 . 2 2 25 25 ASN N N 15 -172.0 . . . . . . . . . . . . . 26710 1 12 . 2 2 26 26 CYS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 13 . 2 2 27 27 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 1 14 . 2 2 29 29 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 1 15 . 2 2 30 30 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 1 16 . 2 2 31 31 PHE N N 15 -172.0 . . . . . . . . . . . . . 26710 1 17 . 2 2 34 34 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 1 18 . 2 2 35 35 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 1 19 . 2 2 37 37 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 20 . 2 2 38 38 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 1 21 . 2 2 40 40 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 22 . 2 2 41 41 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 23 . 2 2 43 43 ASN N N 15 -172.0 . . . . . . . . . . . . . 26710 1 24 . 2 2 44 44 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 1 25 . 2 2 45 45 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 26 . 2 2 46 46 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 1 27 . 2 2 47 47 ILE N N 15 -172.0 . . . . . . . . . . . . . 26710 1 28 . 2 2 48 48 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 29 . 2 2 49 49 LYS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 30 . 2 2 51 51 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 31 . 2 2 52 52 HIS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 32 . 2 2 53 53 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 1 33 . 2 2 54 54 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 1 34 . 2 2 55 55 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 35 . 2 2 56 56 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 1 36 . 2 2 57 57 PHE N N 15 -172.0 . . . . . . . . . . . . . 26710 1 37 . 2 2 58 58 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 1 38 . 2 2 60 60 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 1 39 . 2 2 61 61 TRP N N 15 -172.0 . . . . . . . . . . . . . 26710 1 40 . 2 2 61 61 TRP NE1 N 15 -172.0 . . . . . . . . . . . . . 26710 1 41 . 2 2 62 62 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 1 42 . 2 2 63 63 PHE N N 15 -172.0 . . . . . . . . . . . . . 26710 1 43 . 2 2 64 64 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 1 44 . 2 2 65 65 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 45 . 2 2 66 66 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 46 . 2 2 67 67 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 1 47 . 2 2 68 68 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 1 48 . 2 2 69 69 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 1 49 . 2 2 70 70 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 50 . 2 2 71 71 PHE N N 15 -172.0 . . . . . . . . . . . . . 26710 1 51 . 2 2 72 72 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 1 52 . 2 2 74 74 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 1 53 . 2 2 75 75 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 54 . 2 2 76 76 LYS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 55 . 2 2 77 77 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 1 56 . 2 2 79 79 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 1 57 . 2 2 81 81 CYS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 58 . 2 2 82 82 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 1 59 . 2 2 83 83 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 1 60 . 2 2 84 84 ASN N N 15 -172.0 . . . . . . . . . . . . . 26710 1 61 . 2 2 85 85 HIS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 62 . 2 2 86 86 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 1 63 . 2 2 87 87 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 1 64 . 2 2 88 88 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 1 65 . 2 2 90 90 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 1 66 . 2 2 92 92 LYS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 67 . 2 2 93 93 ILE N N 15 -172.0 . . . . . . . . . . . . . 26710 1 68 . 2 2 94 94 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 1 69 . 2 2 95 95 LYS N N 15 -172.0 . . . . . . . . . . . . . 26710 1 70 . 2 2 96 96 TRP N N 15 -172.0 . . . . . . . . . . . . . 26710 1 71 . 2 2 96 96 TRP NE1 N 15 -172.0 . . . . . . . . . . . . . 26710 1 72 . 2 2 97 97 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 1 73 . 2 2 98 98 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 1 74 . 2 2 99 99 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 1 75 . 2 2 100 100 MET N N 15 -172.0 . . . . . . . . . . . . . 26710 1 stop_ save_ save_chem_shift_anisotropy_list_2 _Chem_shift_anisotropy.Sf_category chem_shift_anisotropy _Chem_shift_anisotropy.Sf_framecode chem_shift_anisotropy_list_2 _Chem_shift_anisotropy.Entry_ID 26710 _Chem_shift_anisotropy.ID 2 _Chem_shift_anisotropy.Sample_condition_list_ID 1 _Chem_shift_anisotropy.Sample_condition_list_label $sample_conditions_1 _Chem_shift_anisotropy.Spectrometer_frequency_1H . _Chem_shift_anisotropy.Val_units ppm _Chem_shift_anisotropy.Details . _Chem_shift_anisotropy.Text_data_format . _Chem_shift_anisotropy.Text_data . loop_ _CS_anisotropy_experiment.Experiment_ID _CS_anisotropy_experiment.Experiment_name _CS_anisotropy_experiment.Sample_ID _CS_anisotropy_experiment.Sample_label _CS_anisotropy_experiment.Sample_state _CS_anisotropy_experiment.Entry_ID _CS_anisotropy_experiment.Chem_shift_anisotropy_ID . . 1 $sample_1 . 26710 2 stop_ loop_ _CS_anisotropy.ID _CS_anisotropy.Assembly_atom_ID _CS_anisotropy.Entity_assembly_ID _CS_anisotropy.Entity_ID _CS_anisotropy.Comp_index_ID _CS_anisotropy.Seq_ID _CS_anisotropy.Comp_ID _CS_anisotropy.Atom_ID _CS_anisotropy.Atom_type _CS_anisotropy.Atom_isotope_number _CS_anisotropy.Val _CS_anisotropy.Val_err _CS_anisotropy.Principal_value_sigma_11_val _CS_anisotropy.Principal_value_sigma_22_val _CS_anisotropy.Principal_value_sigma_33_val _CS_anisotropy.Principal_Euler_angle_alpha_val _CS_anisotropy.Principal_Euler_angle_beta_val _CS_anisotropy.Principal_Euler_angle_gamma_val _CS_anisotropy.Bond_length _CS_anisotropy.Resonance_ID _CS_anisotropy.Auth_entity_assembly_ID _CS_anisotropy.Auth_seq_ID _CS_anisotropy.Auth_comp_ID _CS_anisotropy.Auth_atom_ID _CS_anisotropy.Entry_ID _CS_anisotropy.Chem_shift_anisotropy_ID 1 . 1 1 203 203 HIS N N 15 -172.0 . . . . . . . . . . . . . 26710 2 2 . 1 1 206 206 HIS N N 15 -172.0 . . . . . . . . . . . . . 26710 2 3 . 1 1 209 209 ILE N N 15 -172.0 . . . . . . . . . . . . . 26710 2 4 . 1 1 210 210 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 2 5 . 1 1 212 212 HIS N N 15 -172.0 . . . . . . . . . . . . . 26710 2 6 . 1 1 213 213 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 7 . 1 1 214 214 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 2 8 . 1 1 215 215 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 2 9 . 1 1 218 218 CYS N N 15 -172.0 . . . . . . . . . . . . . 26710 2 10 . 1 1 219 219 TRP N N 15 -172.0 . . . . . . . . . . . . . 26710 2 11 . 1 1 222 222 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 2 12 . 1 1 224 224 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 2 13 . 1 1 227 227 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 14 . 1 1 228 228 ILE N N 15 -172.0 . . . . . . . . . . . . . 26710 2 15 . 1 1 231 231 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 2 16 . 1 1 232 232 TRP N N 15 -172.0 . . . . . . . . . . . . . 26710 2 17 . 1 1 233 233 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 2 18 . 1 1 234 234 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 2 19 . 1 1 235 235 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 2 20 . 1 1 236 236 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 2 21 . 1 1 237 237 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 22 . 1 1 242 242 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 2 23 . 1 1 243 243 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 2 24 . 1 1 244 244 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 25 . 1 1 245 245 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 26 . 1 1 246 246 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 2 27 . 1 1 247 247 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 28 . 1 1 249 249 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 2 29 . 1 1 251 251 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 2 30 . 1 1 252 252 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 2 31 . 1 1 254 254 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 2 32 . 1 1 255 255 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 2 33 . 1 1 256 256 PHE N N 15 -172.0 . . . . . . . . . . . . . 26710 2 34 . 1 1 257 257 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 2 35 . 1 1 258 258 LYS N N 15 -172.0 . . . . . . . . . . . . . 26710 2 36 . 1 1 259 259 TRP N N 15 -172.0 . . . . . . . . . . . . . 26710 2 37 . 1 1 260 260 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 2 38 . 1 1 261 261 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 2 39 . 1 1 263 263 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 2 40 . 1 1 266 266 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 2 41 . 1 1 267 267 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 2 42 . 1 1 269 269 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 43 . 1 1 270 270 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 2 44 . 1 1 271 271 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 2 45 . 1 1 272 272 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 2 46 . 1 1 273 273 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 2 47 . 1 1 275 275 HIS N N 15 -172.0 . . . . . . . . . . . . . 26710 2 48 . 1 1 276 276 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 2 49 . 1 1 278 278 HIS N N 15 -172.0 . . . . . . . . . . . . . 26710 2 50 . 1 1 279 279 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 51 . 1 1 280 280 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 2 52 . 1 1 281 281 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 53 . 1 1 287 287 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 54 . 1 1 289 289 TRP N N 15 -172.0 . . . . . . . . . . . . . 26710 2 55 . 1 1 290 290 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 2 stop_ save_ save_chem_shift_anisotropy_list_3 _Chem_shift_anisotropy.Sf_category chem_shift_anisotropy _Chem_shift_anisotropy.Sf_framecode chem_shift_anisotropy_list_3 _Chem_shift_anisotropy.Entry_ID 26710 _Chem_shift_anisotropy.ID 3 _Chem_shift_anisotropy.Sample_condition_list_ID 1 _Chem_shift_anisotropy.Sample_condition_list_label $sample_conditions_1 _Chem_shift_anisotropy.Spectrometer_frequency_1H . _Chem_shift_anisotropy.Val_units ppm _Chem_shift_anisotropy.Details . _Chem_shift_anisotropy.Text_data_format . _Chem_shift_anisotropy.Text_data . loop_ _CS_anisotropy_experiment.Experiment_ID _CS_anisotropy_experiment.Experiment_name _CS_anisotropy_experiment.Sample_ID _CS_anisotropy_experiment.Sample_label _CS_anisotropy_experiment.Sample_state _CS_anisotropy_experiment.Entry_ID _CS_anisotropy_experiment.Chem_shift_anisotropy_ID . . 1 $sample_1 . 26710 3 stop_ loop_ _CS_anisotropy.ID _CS_anisotropy.Assembly_atom_ID _CS_anisotropy.Entity_assembly_ID _CS_anisotropy.Entity_ID _CS_anisotropy.Comp_index_ID _CS_anisotropy.Seq_ID _CS_anisotropy.Comp_ID _CS_anisotropy.Atom_ID _CS_anisotropy.Atom_type _CS_anisotropy.Atom_isotope_number _CS_anisotropy.Val _CS_anisotropy.Val_err _CS_anisotropy.Principal_value_sigma_11_val _CS_anisotropy.Principal_value_sigma_22_val _CS_anisotropy.Principal_value_sigma_33_val _CS_anisotropy.Principal_Euler_angle_alpha_val _CS_anisotropy.Principal_Euler_angle_beta_val _CS_anisotropy.Principal_Euler_angle_gamma_val _CS_anisotropy.Bond_length _CS_anisotropy.Resonance_ID _CS_anisotropy.Auth_entity_assembly_ID _CS_anisotropy.Auth_seq_ID _CS_anisotropy.Auth_comp_ID _CS_anisotropy.Auth_atom_ID _CS_anisotropy.Entry_ID _CS_anisotropy.Chem_shift_anisotropy_ID 1 . 1 1 17 17 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 3 2 . 1 1 19 19 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 3 3 . 1 1 20 20 MET N N 15 -172.0 . . . . . . . . . . . . . 26710 3 4 . 1 1 22 22 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 5 . 1 1 25 25 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 6 . 1 1 27 27 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 3 7 . 1 1 28 28 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 3 8 . 1 1 29 29 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 9 . 1 1 31 31 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 10 . 1 1 34 34 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 11 . 1 1 36 36 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 12 . 1 1 37 37 PHE N N 15 -172.0 . . . . . . . . . . . . . 26710 3 13 . 1 1 38 38 ILE N N 15 -172.0 . . . . . . . . . . . . . 26710 3 14 . 1 1 39 39 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 15 . 1 1 40 40 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 3 16 . 1 1 41 41 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 17 . 1 1 42 42 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 18 . 1 1 44 44 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 19 . 1 1 45 45 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 20 . 1 1 46 46 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 21 . 1 1 47 47 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 22 . 1 1 49 49 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 3 23 . 1 1 50 50 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 24 . 1 1 51 51 PHE N N 15 -172.0 . . . . . . . . . . . . . 26710 3 25 . 1 1 52 52 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 26 . 1 1 53 53 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 3 27 . 1 1 54 54 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 28 . 1 1 55 55 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 29 . 1 1 56 56 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 30 . 1 1 57 57 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 3 31 . 1 1 63 63 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 32 . 1 1 64 64 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 33 . 1 1 66 66 TRP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 34 . 1 1 67 67 ILE N N 15 -172.0 . . . . . . . . . . . . . 26710 3 35 . 1 1 70 70 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 36 . 1 1 71 71 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 37 . 1 1 73 73 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 38 . 1 1 74 74 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 39 . 1 1 75 75 TRP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 40 . 1 1 77 77 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 41 . 1 1 78 78 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 42 . 1 1 80 80 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 3 43 . 1 1 87 87 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 3 44 . 1 1 89 89 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 45 . 1 1 90 90 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 46 . 1 1 91 91 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 47 . 1 1 92 92 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 48 . 1 1 94 94 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 49 . 1 1 97 97 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 50 . 1 1 98 98 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 51 . 1 1 99 99 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 52 . 1 1 100 100 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 53 . 1 1 106 106 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 54 . 1 1 109 109 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 55 . 1 1 110 110 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 56 . 1 1 112 112 ASN N N 15 -172.0 . . . . . . . . . . . . . 26710 3 57 . 1 1 113 113 MET N N 15 -172.0 . . . . . . . . . . . . . 26710 3 58 . 1 1 115 115 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 59 . 1 1 116 116 CYS N N 15 -172.0 . . . . . . . . . . . . . 26710 3 60 . 1 1 117 117 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 61 . 1 1 118 118 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 3 62 . 1 1 119 119 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 63 . 1 1 125 125 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 64 . 1 1 126 126 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 65 . 1 1 127 127 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 66 . 1 1 130 130 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 3 67 . 1 1 134 134 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 68 . 1 1 135 135 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 69 . 1 1 136 136 LYS N N 15 -172.0 . . . . . . . . . . . . . 26710 3 70 . 1 1 139 139 ILE N N 15 -172.0 . . . . . . . . . . . . . 26710 3 71 . 1 1 140 140 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 72 . 1 1 141 141 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 73 . 1 1 144 144 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 74 . 1 1 145 145 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 75 . 1 1 147 147 SER N N 15 -172.0 . . . . . . . . . . . . . 26710 3 76 . 1 1 148 148 TRP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 77 . 1 1 149 149 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 78 . 1 1 150 150 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 79 . 1 1 151 151 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 80 . 1 1 152 152 ASP N N 15 -172.0 . . . . . . . . . . . . . 26710 3 81 . 1 1 153 153 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 82 . 1 1 154 154 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 83 . 1 1 156 156 GLN N N 15 -172.0 . . . . . . . . . . . . . 26710 3 84 . 1 1 158 158 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 85 . 1 1 160 160 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 86 . 1 1 161 161 LYS N N 15 -172.0 . . . . . . . . . . . . . 26710 3 87 . 1 1 163 163 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 88 . 1 1 165 165 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 89 . 1 1 166 166 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 90 . 1 1 167 167 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 3 91 . 1 1 168 168 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 92 . 1 1 169 169 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 93 . 1 1 172 172 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 94 . 1 1 173 173 ALA N N 15 -172.0 . . . . . . . . . . . . . 26710 3 95 . 1 1 174 174 TYR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 96 . 1 1 176 176 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 97 . 1 1 177 177 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 98 . 1 1 178 178 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 99 . 1 1 180 180 VAL N N 15 -172.0 . . . . . . . . . . . . . 26710 3 100 . 1 1 181 181 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 101 . 1 1 183 183 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 102 . 1 1 184 184 ARG N N 15 -172.0 . . . . . . . . . . . . . 26710 3 103 . 1 1 190 190 GLY N N 15 -172.0 . . . . . . . . . . . . . 26710 3 104 . 1 1 191 191 LYS N N 15 -172.0 . . . . . . . . . . . . . 26710 3 105 . 1 1 192 192 GLU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 106 . 1 1 193 193 THR N N 15 -172.0 . . . . . . . . . . . . . 26710 3 107 . 1 1 194 194 LEU N N 15 -172.0 . . . . . . . . . . . . . 26710 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_hetNOE_bn_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_bn_1 _Heteronucl_NOE_list.Entry_ID 26710 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.18 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '600.18 MHz steady-state NOE' 1 $sample_1 . 26710 1 7 '600.18 MHz R1' 1 $sample_1 . 26710 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26710 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 . 2 2 3 3 GLN N N 15 . 2 2 3 3 GLN H H 1 0.314299646618 0.0928013170646 . . . . . . . . . . 26710 1 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.702887151656 0.0846059711307 . . . . . . . . . . 26710 1 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.897775747187 0.0901454294003 . . . . . . . . . . 26710 1 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 1.02059695702 0.107521259924 . . . . . . . . . . 26710 1 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.746241501253 0.0847207276496 . . . . . . . . . . 26710 1 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.78577864129 0.0602223558573 . . . . . . . . . . 26710 1 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.745996118905 0.0978949551278 . . . . . . . . . . 26710 1 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.783856394599 0.105496789672 . . . . . . . . . . 26710 1 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.866345793754 0.0541286917645 . . . . . . . . . . 26710 1 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.694455469122 0.059523954965 . . . . . . . . . . 26710 1 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.802879098427 0.0969332343705 . . . . . . . . . . 26710 1 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.838091690254 0.0762225113425 . . . . . . . . . . 26710 1 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.713160605197 0.0944221762213 . . . . . . . . . . 26710 1 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.741946997218 0.0951388929649 . . . . . . . . . . 26710 1 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.820691873982 0.0895755839348 . . . . . . . . . . 26710 1 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 1.08268264326 0.0867150148388 . . . . . . . . . . 26710 1 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.782496311238 0.171947745444 . . . . . . . . . . 26710 1 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.639916366255 0.034158972887 . . . . . . . . . . 26710 1 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.824903636587 0.0878773423409 . . . . . . . . . . 26710 1 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.79067076694 0.0625220097391 . . . . . . . . . . 26710 1 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.786051410217 0.0835369558074 . . . . . . . . . . 26710 1 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.831907537499 0.0958374261919 . . . . . . . . . . 26710 1 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.818174211012 0.0801221814768 . . . . . . . . . . 26710 1 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.861099827964 0.0949859026471 . . . . . . . . . . 26710 1 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.781352423598 0.0481305885162 . . . . . . . . . . 26710 1 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.767275744614 0.0833563355757 . . . . . . . . . . 26710 1 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.769173076627 0.100893502575 . . . . . . . . . . 26710 1 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.768253301473 0.0730032553334 . . . . . . . . . . 26710 1 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.537183180186 0.0533198287658 . . . . . . . . . . 26710 1 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.644594916037 0.0600793633495 . . . . . . . . . . 26710 1 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.755983062397 0.0434484252562 . . . . . . . . . . 26710 1 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.800418945569 0.13092190159 . . . . . . . . . . 26710 1 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 1.35487468322 0.343938844889 . . . . . . . . . . 26710 1 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.591923501015 0.0737152074546 . . . . . . . . . . 26710 1 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.963341655594 0.122444018219 . . . . . . . . . . 26710 1 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.815661408362 0.0893168765359 . . . . . . . . . . 26710 1 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.839363270925 0.108977068284 . . . . . . . . . . 26710 1 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.701322416514 0.0589086373581 . . . . . . . . . . 26710 1 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.950421975391 0.102921840307 . . . . . . . . . . 26710 1 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.90138630033 0.0699277641546 . . . . . . . . . . 26710 1 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.980659811084 0.10459615578 . . . . . . . . . . 26710 1 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.887948781413 0.123956539631 . . . . . . . . . . 26710 1 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.780594607563 0.0790059841672 . . . . . . . . . . 26710 1 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.721960322347 0.0823899058336 . . . . . . . . . . 26710 1 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.828435675066 0.120075811172 . . . . . . . . . . 26710 1 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.863661876965 0.0929924593826 . . . . . . . . . . 26710 1 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.815362426902 0.0825816915619 . . . . . . . . . . 26710 1 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.758388064828 0.0749280253762 . . . . . . . . . . 26710 1 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.737206495411 0.0497584021386 . . . . . . . . . . 26710 1 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.799847800536 0.0712377592601 . . . . . . . . . . 26710 1 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.770470304536 0.0695967910845 . . . . . . . . . . 26710 1 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.689156745718 0.0585946114642 . . . . . . . . . . 26710 1 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.627175295859 0.130660203039 . . . . . . . . . . 26710 1 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.383623710538 0.0490527833966 . . . . . . . . . . 26710 1 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.636974231545 0.0466021358841 . . . . . . . . . . 26710 1 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.712627391183 0.0701936554423 . . . . . . . . . . 26710 1 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.720226348284 0.0767156385417 . . . . . . . . . . 26710 1 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.894430380799 0.0823960010335 . . . . . . . . . . 26710 1 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.753224268099 0.0937313068655 . . . . . . . . . . 26710 1 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.816944974331 0.0811436014728 . . . . . . . . . . 26710 1 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.827587580429 0.0554265183857 . . . . . . . . . . 26710 1 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.642689008195 0.0780654125361 . . . . . . . . . . 26710 1 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.648331019206 0.075533812754 . . . . . . . . . . 26710 1 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.803600140912 0.0576174915064 . . . . . . . . . . 26710 1 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.64596485579 0.0310628231395 . . . . . . . . . . 26710 1 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.857473612294 0.0853960199467 . . . . . . . . . . 26710 1 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.720629459607 0.0581116769183 . . . . . . . . . . 26710 1 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 1.03526657544 0.107706842458 . . . . . . . . . . 26710 1 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.813807948383 0.0656774214378 . . . . . . . . . . 26710 1 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.784444373688 0.0997021425783 . . . . . . . . . . 26710 1 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.734304244473 0.0661487808181 . . . . . . . . . . 26710 1 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.762690135333 0.081755732116 . . . . . . . . . . 26710 1 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.73215381739 0.0807450519328 . . . . . . . . . . 26710 1 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.773843796799 0.0547273504027 . . . . . . . . . . 26710 1 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.688173450762 0.0497620829932 . . . . . . . . . . 26710 1 stop_ save_ save_750.46_MHz_hetNOE_bn_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_bn_2 _Heteronucl_NOE_list.Entry_ID 26710 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 2 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 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 . 2 2 3 3 GLN N N 15 . 2 2 3 3 GLN H H 1 0.537383181016 0.116997524509 . . . . . . . . . . 26710 2 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.697297010754 0.10334711604 . . . . . . . . . . 26710 2 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.8074294055 0.083744139675 . . . . . . . . . . 26710 2 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.725304490818 0.0714233474883 . . . . . . . . . . 26710 2 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.869976633863 0.0926823537529 . . . . . . . . . . 26710 2 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.808853912363 0.0610863789807 . . . . . . . . . . 26710 2 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.682947661342 0.0908242599656 . . . . . . . . . . 26710 2 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.767525238048 0.0963080191717 . . . . . . . . . . 26710 2 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.785767284637 0.0488522791549 . . . . . . . . . . 26710 2 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.953469362132 0.0856328989753 . . . . . . . . . . 26710 2 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.882678034634 0.0946276221426 . . . . . . . . . . 26710 2 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.753670919631 0.0684132018424 . . . . . . . . . . 26710 2 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.842350046478 0.0923491917879 . . . . . . . . . . 26710 2 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.7444714436 0.0885691482444 . . . . . . . . . . 26710 2 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.82412767907 0.0786958755995 . . . . . . . . . . 26710 2 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.754813776045 0.0647550429496 . . . . . . . . . . 26710 2 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.764406682134 0.154667247729 . . . . . . . . . . 26710 2 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.721095445939 0.0388502130506 . . . . . . . . . . 26710 2 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.759563956969 0.0756695701215 . . . . . . . . . . 26710 2 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.734660044871 0.0608568924073 . . . . . . . . . . 26710 2 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.708126712754 0.0768788371975 . . . . . . . . . . 26710 2 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.828490576744 0.0888371980145 . . . . . . . . . . 26710 2 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.895222358175 0.0898602885458 . . . . . . . . . . 26710 2 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.883664076614 0.0964816065974 . . . . . . . . . . 26710 2 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.738049454021 0.0496022593681 . . . . . . . . . . 26710 2 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.819140297563 0.0903562516598 . . . . . . . . . . 26710 2 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.742552481859 0.0883999907361 . . . . . . . . . . 26710 2 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.542064180019 0.0697074419306 . . . . . . . . . . 26710 2 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.468508858261 0.0583846291298 . . . . . . . . . . 26710 2 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.629139523446 0.0655276940889 . . . . . . . . . . 26710 2 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.779595224886 0.0482217326934 . . . . . . . . . . 26710 2 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.961877322472 0.143882206249 . . . . . . . . . . 26710 2 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 1.16803848338 0.282360110456 . . . . . . . . . . 26710 2 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.695827815074 0.0921530775844 . . . . . . . . . . 26710 2 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.731279930548 0.0807205399458 . . . . . . . . . . 26710 2 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.659865786318 0.0693559969723 . . . . . . . . . . 26710 2 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.749945005385 0.0902016112461 . . . . . . . . . . 26710 2 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.794017965986 0.0631394107387 . . . . . . . . . . 26710 2 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.738560538551 0.0842895678305 . . . . . . . . . . 26710 2 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.774945399105 0.0697728800267 . . . . . . . . . . 26710 2 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.983325173083 0.0924416829218 . . . . . . . . . . 26710 2 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.856827122683 0.107410630724 . . . . . . . . . . 26710 2 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.749584308913 0.0733673038939 . . . . . . . . . . 26710 2 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.864914756136 0.0855636712041 . . . . . . . . . . 26710 2 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.823229076575 0.0929581135376 . . . . . . . . . . 26710 2 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.750701623943 0.0943818461924 . . . . . . . . . . 26710 2 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.725247302388 0.0615876835212 . . . . . . . . . . 26710 2 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.758891171005 0.0696058742621 . . . . . . . . . . 26710 2 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.63282813129 0.0491462807096 . . . . . . . . . . 26710 2 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.839201458418 0.0843203758464 . . . . . . . . . . 26710 2 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.69866923016 0.0631255975487 . . . . . . . . . . 26710 2 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.757847560215 0.0645707346416 . . . . . . . . . . 26710 2 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 1.11816872134 0.312206993975 . . . . . . . . . . 26710 2 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.483371693162 0.0594448755982 . . . . . . . . . . 26710 2 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.710481626837 0.052032807723 . . . . . . . . . . 26710 2 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.750307573247 0.0861619982653 . . . . . . . . . . 26710 2 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.789333549238 0.0761438006922 . . . . . . . . . . 26710 2 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.758977289309 0.0724895036536 . . . . . . . . . . 26710 2 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.868125543443 0.103188285473 . . . . . . . . . . 26710 2 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.636219383888 0.0747478767176 . . . . . . . . . . 26710 2 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.718014500934 0.0496232474974 . . . . . . . . . . 26710 2 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.783125113453 0.100957379247 . . . . . . . . . . 26710 2 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.699531328302 0.0681197113861 . . . . . . . . . . 26710 2 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.712090085478 0.0533600297378 . . . . . . . . . . 26710 2 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.659399121092 0.0315060641594 . . . . . . . . . . 26710 2 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.574061233221 0.0676503673907 . . . . . . . . . . 26710 2 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.709478165217 0.0587849796017 . . . . . . . . . . 26710 2 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.801941177271 0.0864048878458 . . . . . . . . . . 26710 2 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.796201683969 0.0679497835798 . . . . . . . . . . 26710 2 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.720658263222 0.0818678725034 . . . . . . . . . . 26710 2 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.729514921783 0.0722836295804 . . . . . . . . . . 26710 2 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.821126791921 0.0887704096575 . . . . . . . . . . 26710 2 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.670131398642 0.0936672454894 . . . . . . . . . . 26710 2 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.818132994038 0.0554954336876 . . . . . . . . . . 26710 2 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.664793721532 0.0479970104346 . . . . . . . . . . 26710 2 stop_ save_ save_600.18_MHz_hetNOE_b2m_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_b2m_1 _Heteronucl_NOE_list.Entry_ID 26710 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.18 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '600.18 MHz steady-state NOE' 1 $sample_1 . 26710 3 7 '600.18 MHz R1' 1 $sample_1 . 26710 3 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26710 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.734456596201 0.0349060960532 . . . . . . . . . . 26710 3 2 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.819971327515 0.0315426278983 . . . . . . . . . . 26710 3 3 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.723148550818 0.0377120828612 . . . . . . . . . . 26710 3 4 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.652721286678 0.0460349299861 . . . . . . . . . . 26710 3 5 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.912833152059 0.152644116169 . . . . . . . . . . 26710 3 6 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.693045004566 0.0382263675099 . . . . . . . . . . 26710 3 7 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.817513973326 0.0295957594113 . . . . . . . . . . 26710 3 8 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.817453148215 0.0296340306114 . . . . . . . . . . 26710 3 9 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.903318583998 0.0372979862021 . . . . . . . . . . 26710 3 10 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.855462250293 0.0308222383431 . . . . . . . . . . 26710 3 11 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.730682065071 0.0314802099856 . . . . . . . . . . 26710 3 12 . 1 1 224 224 TYR N N 15 . 1 1 224 224 TYR H H 1 0.851711620977 0.0305161498416 . . . . . . . . . . 26710 3 13 . 1 1 227 227 GLU N N 15 . 1 1 227 227 GLU H H 1 0.745517641592 0.0263438431223 . . . . . . . . . . 26710 3 14 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.775564626768 0.0251065172767 . . . . . . . . . . 26710 3 15 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.818771058863 0.0296722166986 . . . . . . . . . . 26710 3 16 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.772803962214 0.0315401973165 . . . . . . . . . . 26710 3 17 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.779307932784 0.0318344859955 . . . . . . . . . . 26710 3 18 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.798992100195 0.0343849559759 . . . . . . . . . . 26710 3 19 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.804423702563 0.0384305742414 . . . . . . . . . . 26710 3 20 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.784824959942 0.0542202758584 . . . . . . . . . . 26710 3 21 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.746776276154 0.0315205391338 . . . . . . . . . . 26710 3 22 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.560185920983 0.0434478248049 . . . . . . . . . . 26710 3 23 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.61184488414 0.0372715335255 . . . . . . . . . . 26710 3 24 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.809305772345 0.0332255314511 . . . . . . . . . . 26710 3 25 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.769441771888 0.026538916291 . . . . . . . . . . 26710 3 26 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.602775466366 0.0292940773041 . . . . . . . . . . 26710 3 27 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.79442859524 0.0288037035993 . . . . . . . . . . 26710 3 28 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.765390561297 0.0350367195547 . . . . . . . . . . 26710 3 29 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.799362829403 0.0409812961375 . . . . . . . . . . 26710 3 30 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.836544181555 0.0534448511505 . . . . . . . . . . 26710 3 31 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.671021327592 0.0772756231783 . . . . . . . . . . 26710 3 32 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.681094082982 0.0518499907923 . . . . . . . . . . 26710 3 33 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.80325552185 0.0320263376345 . . . . . . . . . . 26710 3 34 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.882327648135 0.0306449673962 . . . . . . . . . . 26710 3 35 . 1 1 258 258 LYS N N 15 . 1 1 258 258 LYS H H 1 0.85965659448 0.0287729937213 . . . . . . . . . . 26710 3 36 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.821436705865 0.0343308953338 . . . . . . . . . . 26710 3 37 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.852582787701 0.0289739061492 . . . . . . . . . . 26710 3 38 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.82150353484 0.0377793433146 . . . . . . . . . . 26710 3 39 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.79336859275 0.0295176922845 . . . . . . . . . . 26710 3 40 . 1 1 266 266 SER N N 15 . 1 1 266 266 SER H H 1 0.754209037584 0.0253287862393 . . . . . . . . . . 26710 3 41 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.733223349306 0.0327426479981 . . . . . . . . . . 26710 3 42 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.787318995821 0.0465427852816 . . . . . . . . . . 26710 3 43 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.789248101392 0.0406883496759 . . . . . . . . . . 26710 3 44 . 1 1 271 271 ARG N N 15 . 1 1 271 271 ARG H H 1 0.816272507266 0.0448967867573 . . . . . . . . . . 26710 3 45 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.795591823241 0.0394297427827 . . . . . . . . . . 26710 3 46 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.795385850364 0.0339553626302 . . . . . . . . . . 26710 3 47 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.857457867906 0.0361571171695 . . . . . . . . . . 26710 3 48 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.788776914028 0.0314070174467 . . . . . . . . . . 26710 3 49 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.791178353217 0.0301341303911 . . . . . . . . . . 26710 3 50 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.861015414375 0.0311216721079 . . . . . . . . . . 26710 3 51 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.77267884395 0.0406717263833 . . . . . . . . . . 26710 3 52 . 1 1 281 281 LEU N N 15 . 1 1 281 281 LEU H H 1 0.619576477754 0.0290029671973 . . . . . . . . . . 26710 3 53 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.766985696544 0.0326468972856 . . . . . . . . . . 26710 3 54 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.664353081648 0.0303246497213 . . . . . . . . . . 26710 3 55 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.23446047371 0.020106659539 . . . . . . . . . . 26710 3 stop_ save_ save_750.46_MHz_hetNOE_b2m_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_b2m_2 _Heteronucl_NOE_list.Entry_ID 26710 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 4 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 4 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.716008325258 0.0489473427942 . . . . . . . . . . 26710 4 2 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.859939069566 0.0520750205789 . . . . . . . . . . 26710 4 3 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.722570088831 0.0687465009887 . . . . . . . . . . 26710 4 4 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.621826147464 0.0522415249569 . . . . . . . . . . 26710 4 5 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.563562303837 0.12079254802 . . . . . . . . . . 26710 4 6 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.745306823058 0.0514296022531 . . . . . . . . . . 26710 4 7 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.862194595373 0.0451838915662 . . . . . . . . . . 26710 4 8 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.707135457303 0.0456538359735 . . . . . . . . . . 26710 4 9 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.814692504719 0.0544667503075 . . . . . . . . . . 26710 4 10 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.808821477036 0.0457842296729 . . . . . . . . . . 26710 4 11 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.698790387682 0.0497838078968 . . . . . . . . . . 26710 4 12 . 1 1 224 224 TYR N N 15 . 1 1 224 224 TYR H H 1 0.804353367445 0.0468356217761 . . . . . . . . . . 26710 4 13 . 1 1 227 227 GLU N N 15 . 1 1 227 227 GLU H H 1 0.756727990692 0.0359668586548 . . . . . . . . . . 26710 4 14 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.873243213104 0.0401241407124 . . . . . . . . . . 26710 4 15 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.668986265801 0.0411544507772 . . . . . . . . . . 26710 4 16 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.742054353276 0.0467376818764 . . . . . . . . . . 26710 4 17 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.767317672158 0.0562034774873 . . . . . . . . . . 26710 4 18 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.754570881938 0.0512946743104 . . . . . . . . . . 26710 4 19 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.669599243921 0.0566018857816 . . . . . . . . . . 26710 4 20 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.626549240249 0.0603983342367 . . . . . . . . . . 26710 4 21 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.675012007171 0.0447863020486 . . . . . . . . . . 26710 4 22 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.643938541753 0.0726731793735 . . . . . . . . . . 26710 4 23 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.59482422103 0.045854888295 . . . . . . . . . . 26710 4 24 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.7538862584 0.0496408123694 . . . . . . . . . . 26710 4 25 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.855243961826 0.0518474383414 . . . . . . . . . . 26710 4 26 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.569201789521 0.0429853540142 . . . . . . . . . . 26710 4 27 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.798668932004 0.0426819792656 . . . . . . . . . . 26710 4 28 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.813711350782 0.0554650857478 . . . . . . . . . . 26710 4 29 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.864770238033 0.0581915773736 . . . . . . . . . . 26710 4 30 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.83045844963 0.08080392229 . . . . . . . . . . 26710 4 31 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.836521142407 0.114853068267 . . . . . . . . . . 26710 4 32 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.700098688472 0.0774791966142 . . . . . . . . . . 26710 4 33 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.787278667618 0.045684286433 . . . . . . . . . . 26710 4 34 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.81260534581 0.0461094107192 . . . . . . . . . . 26710 4 35 . 1 1 258 258 LYS N N 15 . 1 1 258 258 LYS H H 1 0.811208482132 0.0430047972695 . . . . . . . . . . 26710 4 36 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.902528324471 0.0595372865388 . . . . . . . . . . 26710 4 37 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.848600873133 0.0478226343398 . . . . . . . . . . 26710 4 38 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.822151338826 0.0712813697528 . . . . . . . . . . 26710 4 39 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.727890528343 0.0445840918527 . . . . . . . . . . 26710 4 40 . 1 1 266 266 SER N N 15 . 1 1 266 266 SER H H 1 0.71047514519 0.0418056937485 . . . . . . . . . . 26710 4 41 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.724898939537 0.0552034887583 . . . . . . . . . . 26710 4 42 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.907740392205 0.0743024887409 . . . . . . . . . . 26710 4 43 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.678790655857 0.0560418525603 . . . . . . . . . . 26710 4 44 . 1 1 271 271 ARG N N 15 . 1 1 271 271 ARG H H 1 0.75421971788 0.0554765464887 . . . . . . . . . . 26710 4 45 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.687639254241 0.0536290471986 . . . . . . . . . . 26710 4 46 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.953242758549 0.0629822301516 . . . . . . . . . . 26710 4 47 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.8595221269 0.0603306454085 . . . . . . . . . . 26710 4 48 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.841114079765 0.0509078542177 . . . . . . . . . . 26710 4 49 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.731203262158 0.0387965217032 . . . . . . . . . . 26710 4 50 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.787724179804 0.0462320467677 . . . . . . . . . . 26710 4 51 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.814866047972 0.0751367229056 . . . . . . . . . . 26710 4 52 . 1 1 281 281 LEU N N 15 . 1 1 281 281 LEU H H 1 0.571887871141 0.0416316854351 . . . . . . . . . . 26710 4 53 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.703603725504 0.0512501297347 . . . . . . . . . . 26710 4 54 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.719663829808 0.0504308359647 . . . . . . . . . . 26710 4 55 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.276253252094 0.0317726145546 . . . . . . . . . . 26710 4 stop_ save_ save_600.18_MHz_hetNOE_top_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_top_1 _Heteronucl_NOE_list.Entry_ID 26710 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.18 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '600.18 MHz steady-state NOE' 1 $sample_1 . 26710 5 7 '600.18 MHz R1' 1 $sample_1 . 26710 5 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 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.508228825866 0.0305594404625 . . . . . . . . . . 26710 5 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.801994526237 0.0364366761781 . . . . . . . . . . 26710 5 3 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.900343715301 0.0550892734914 . . . . . . . . . . 26710 5 4 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.862533110115 0.0421095042257 . . . . . . . . . . 26710 5 5 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.878283953216 0.0705347886932 . . . . . . . . . . 26710 5 6 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.62336301672 0.0267616565913 . . . . . . . . . . 26710 5 7 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.853804789406 0.0471638226603 . . . . . . . . . . 26710 5 8 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.838962824022 0.0425876723083 . . . . . . . . . . 26710 5 9 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.115168644326 0.158034426372 . . . . . . . . . . 26710 5 10 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.632828748628 0.0441752259204 . . . . . . . . . . 26710 5 11 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.875691605502 0.0626807124535 . . . . . . . . . . 26710 5 12 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.73908645325 0.0491038180194 . . . . . . . . . . 26710 5 13 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.818662407576 0.0291796503991 . . . . . . . . . . 26710 5 14 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.865048642595 0.0426653580106 . . . . . . . . . . 26710 5 15 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.879136062627 0.0524245169541 . . . . . . . . . . 26710 5 16 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.884761246592 0.057202978479 . . . . . . . . . . 26710 5 17 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.910233466918 0.0350254304056 . . . . . . . . . . 26710 5 18 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.834479293059 0.0322331062273 . . . . . . . . . . 26710 5 19 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.853833171628 0.0438987374064 . . . . . . . . . . 26710 5 20 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.884899997613 0.0461656035449 . . . . . . . . . . 26710 5 21 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.825599709028 0.0296018054569 . . . . . . . . . . 26710 5 22 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.884243745112 0.0728879129355 . . . . . . . . . . 26710 5 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.854034460647 0.0425579339556 . . . . . . . . . . 26710 5 24 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.889311102131 0.0549029182061 . . . . . . . . . . 26710 5 25 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.853427355331 0.0450985391371 . . . . . . . . . . 26710 5 26 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.765871345942 0.0363530804271 . . . . . . . . . . 26710 5 27 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.74803376347 0.0328984542117 . . . . . . . . . . 26710 5 28 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.100111742854 0.0243252177273 . . . . . . . . . . 26710 5 29 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.375343844306 0.0693268817884 . . . . . . . . . . 26710 5 30 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.336010474433 0.072442666887 . . . . . . . . . . 26710 5 31 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.873378564468 0.0572629906482 . . . . . . . . . . 26710 5 32 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.928287772648 0.0555822196077 . . . . . . . . . . 26710 5 33 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.858802811174 0.0473973903305 . . . . . . . . . . 26710 5 34 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.738979073899 0.0536221751978 . . . . . . . . . . 26710 5 35 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.877688557472 0.0349964783425 . . . . . . . . . . 26710 5 36 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.762445966619 0.0311090522741 . . . . . . . . . . 26710 5 37 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.825285344484 0.0527881232662 . . . . . . . . . . 26710 5 38 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.768828081106 0.0394928062035 . . . . . . . . . . 26710 5 39 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.80378866146 0.0546114346688 . . . . . . . . . . 26710 5 40 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 1.01826685267 0.080226128206 . . . . . . . . . . 26710 5 41 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.745222730603 0.0611658855987 . . . . . . . . . . 26710 5 42 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.743715045696 0.0616837898835 . . . . . . . . . . 26710 5 43 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.927925836402 0.240106712108 . . . . . . . . . . 26710 5 44 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.893842721366 0.096650434066 . . . . . . . . . . 26710 5 45 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.860161234172 0.0615786271971 . . . . . . . . . . 26710 5 46 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.937398897623 0.0816518437142 . . . . . . . . . . 26710 5 47 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.724129801519 0.0718284895243 . . . . . . . . . . 26710 5 48 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.873738256091 0.0665115621139 . . . . . . . . . . 26710 5 49 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.910589065496 0.0666967629285 . . . . . . . . . . 26710 5 50 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.868180755759 0.0501553008622 . . . . . . . . . . 26710 5 51 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.848828709422 0.0537372578132 . . . . . . . . . . 26710 5 52 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.846561164889 0.0432215646686 . . . . . . . . . . 26710 5 53 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.196446442059 0.144323019714 . . . . . . . . . . 26710 5 54 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.787597034238 0.0530865142821 . . . . . . . . . . 26710 5 55 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.779923578695 0.062823668352 . . . . . . . . . . 26710 5 56 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.914446659515 0.0781024996907 . . . . . . . . . . 26710 5 57 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 0.752293013949 0.070091811807 . . . . . . . . . . 26710 5 58 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.899731289552 0.0583994257315 . . . . . . . . . . 26710 5 59 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.776505081805 0.0513090749729 . . . . . . . . . . 26710 5 60 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.944196718434 0.047295497144 . . . . . . . . . . 26710 5 61 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.780725136835 0.0372129845313 . . . . . . . . . . 26710 5 62 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.765744015185 0.0328723799858 . . . . . . . . . . 26710 5 63 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.819268583209 0.0539897900117 . . . . . . . . . . 26710 5 64 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.777755943316 0.0593744365363 . . . . . . . . . . 26710 5 65 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.902708774731 0.0492784227127 . . . . . . . . . . 26710 5 66 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.769767996618 0.0490246921567 . . . . . . . . . . 26710 5 67 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.951977389812 0.0829784980847 . . . . . . . . . . 26710 5 68 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 1.00105791204 0.150011968237 . . . . . . . . . . 26710 5 69 . 1 1 136 136 LYS N N 15 . 1 1 136 136 LYS H H 1 0.911769710804 0.0597763725326 . . . . . . . . . . 26710 5 70 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.843915106558 0.0795294687399 . . . . . . . . . . 26710 5 71 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.885008967887 0.0685248898587 . . . . . . . . . . 26710 5 72 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.891244072991 0.0628681740793 . . . . . . . . . . 26710 5 73 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.879721389817 0.0398133827733 . . . . . . . . . . 26710 5 74 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.874198274073 0.0391476058385 . . . . . . . . . . 26710 5 75 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.585037428719 0.0523985439176 . . . . . . . . . . 26710 5 76 . 1 1 148 148 TRP N N 15 . 1 1 148 148 TRP H H 1 0.858361029444 0.0274394382803 . . . . . . . . . . 26710 5 77 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.833658441024 0.039717850457 . . . . . . . . . . 26710 5 78 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.776291382639 0.0333420719123 . . . . . . . . . . 26710 5 79 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.752080390696 0.0487160041871 . . . . . . . . . . 26710 5 80 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.706489012622 0.0351999052041 . . . . . . . . . . 26710 5 81 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.710565599267 0.0946965474913 . . . . . . . . . . 26710 5 82 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.763015304913 0.0481819305969 . . . . . . . . . . 26710 5 83 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.900994747572 0.0619430557727 . . . . . . . . . . 26710 5 84 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.823437414253 0.0804782277524 . . . . . . . . . . 26710 5 85 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.871403039098 0.0633616284692 . . . . . . . . . . 26710 5 86 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.819169991058 0.0409848984037 . . . . . . . . . . 26710 5 87 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.855411445295 0.0651347740573 . . . . . . . . . . 26710 5 88 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.823772951814 0.0615345457859 . . . . . . . . . . 26710 5 89 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.859996637522 0.0544636351452 . . . . . . . . . . 26710 5 90 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.67732687876 0.0857549949263 . . . . . . . . . . 26710 5 91 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.745888938041 0.0659236726653 . . . . . . . . . . 26710 5 92 . 1 1 169 169 GLU N N 15 . 1 1 169 169 GLU H H 1 0.703785583061 0.0548534992983 . . . . . . . . . . 26710 5 93 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 1.77030510318 0.67500061085 . . . . . . . . . . 26710 5 94 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.831006821194 0.0851078983266 . . . . . . . . . . 26710 5 95 . 1 1 174 174 TYR N N 15 . 1 1 174 174 TYR H H 1 0.858837205758 0.0487683620545 . . . . . . . . . . 26710 5 96 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.790630978337 0.0745257257637 . . . . . . . . . . 26710 5 97 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.817728278285 0.0403182262763 . . . . . . . . . . 26710 5 98 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.777002965615 0.0452977374761 . . . . . . . . . . 26710 5 99 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.839871342403 0.050388484244 . . . . . . . . . . 26710 5 100 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.95090109999 0.0525883120872 . . . . . . . . . . 26710 5 101 . 1 1 183 183 LEU N N 15 . 1 1 183 183 LEU H H 1 0.84843201664 0.0423445852601 . . . . . . . . . . 26710 5 102 . 1 1 184 184 ARG N N 15 . 1 1 184 184 ARG H H 1 0.830478367369 0.0573430617888 . . . . . . . . . . 26710 5 103 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.833250348536 0.0654337318393 . . . . . . . . . . 26710 5 104 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.771621054862 0.0388225289085 . . . . . . . . . . 26710 5 105 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.782057713951 0.0412544430628 . . . . . . . . . . 26710 5 106 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.772983463828 0.0658153931719 . . . . . . . . . . 26710 5 107 . 1 1 194 194 LEU N N 15 . 1 1 194 194 LEU H H 1 0.683180437197 0.0554179616443 . . . . . . . . . . 26710 5 stop_ save_ save_750.46_MHz_hetNOE_top_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_top_2 _Heteronucl_NOE_list.Entry_ID 26710 _Heteronucl_NOE_list.ID 6 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 6 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 6 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 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.522636300805 0.0421716450901 . . . . . . . . . . 26710 6 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.908933934262 0.0639966489097 . . . . . . . . . . 26710 6 3 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.941327107365 0.0750737268171 . . . . . . . . . . 26710 6 4 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.81221754745 0.0624431542348 . . . . . . . . . . 26710 6 5 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.7672848165 0.0859140467415 . . . . . . . . . . 26710 6 6 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.694607397872 0.037135426225 . . . . . . . . . . 26710 6 7 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.821660534216 0.0645510916209 . . . . . . . . . . 26710 6 8 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.749433388183 0.0600452605548 . . . . . . . . . . 26710 6 9 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.614405017074 0.158141348914 . . . . . . . . . . 26710 6 10 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.652714905335 0.0612793089273 . . . . . . . . . . 26710 6 11 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.668325245498 0.086657100933 . . . . . . . . . . 26710 6 12 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.756467679999 0.0767378818647 . . . . . . . . . . 26710 6 13 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.806979418177 0.0418345200792 . . . . . . . . . . 26710 6 14 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.839935198224 0.0707102899895 . . . . . . . . . . 26710 6 15 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.753830986049 0.0824794177747 . . . . . . . . . . 26710 6 16 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.91328776476 0.0940060272116 . . . . . . . . . . 26710 6 17 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.863006032824 0.0509419850546 . . . . . . . . . . 26710 6 18 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.773082389808 0.0478201004375 . . . . . . . . . . 26710 6 19 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.833901599679 0.0644225944893 . . . . . . . . . . 26710 6 20 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.87346678068 0.0734679791819 . . . . . . . . . . 26710 6 21 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.743371615351 0.0465834970934 . . . . . . . . . . 26710 6 22 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.950934875656 0.102142565168 . . . . . . . . . . 26710 6 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.823524177159 0.0614196363248 . . . . . . . . . . 26710 6 24 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.82968774047 0.0808191047535 . . . . . . . . . . 26710 6 25 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.787925025418 0.06250846251 . . . . . . . . . . 26710 6 26 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.80112189265 0.0612240888034 . . . . . . . . . . 26710 6 27 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.754294819276 0.0474097761877 . . . . . . . . . . 26710 6 28 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.223996387649 0.0364136320172 . . . . . . . . . . 26710 6 29 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.243099596458 0.0730295522893 . . . . . . . . . . 26710 6 30 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.447134108417 0.0875773590669 . . . . . . . . . . 26710 6 31 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.707798598291 0.0690089226196 . . . . . . . . . . 26710 6 32 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.76260217732 0.0696952442933 . . . . . . . . . . 26710 6 33 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.81156296712 0.062357925163 . . . . . . . . . . 26710 6 34 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.859593982522 0.082158657729 . . . . . . . . . . 26710 6 35 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.781065700579 0.049581274272 . . . . . . . . . . 26710 6 36 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.816885301136 0.0534733620588 . . . . . . . . . . 26710 6 37 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.704042036261 0.070027364276 . . . . . . . . . . 26710 6 38 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.727838876128 0.0528591797401 . . . . . . . . . . 26710 6 39 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.837962464658 0.0811357908615 . . . . . . . . . . 26710 6 40 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.632644103438 0.0747193149581 . . . . . . . . . . 26710 6 41 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.872099836535 0.0957104339805 . . . . . . . . . . 26710 6 42 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.759691172661 0.106452725594 . . . . . . . . . . 26710 6 43 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 1.09767630629 0.410176483925 . . . . . . . . . . 26710 6 44 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.930821313077 0.139548923861 . . . . . . . . . . 26710 6 45 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.791293610002 0.0869376200405 . . . . . . . . . . 26710 6 46 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.763115273981 0.0890548768458 . . . . . . . . . . 26710 6 47 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.792974716663 0.114637487449 . . . . . . . . . . 26710 6 48 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.692392190899 0.0805372828081 . . . . . . . . . . 26710 6 49 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.784733141393 0.0840875426432 . . . . . . . . . . 26710 6 50 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.833728959987 0.0738006523674 . . . . . . . . . . 26710 6 51 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.997287275833 0.0877058476039 . . . . . . . . . . 26710 6 52 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.843351720538 0.0616220005639 . . . . . . . . . . 26710 6 53 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.282257869785 0.130468322225 . . . . . . . . . . 26710 6 54 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.841412821257 0.0901409175265 . . . . . . . . . . 26710 6 55 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.593207875473 0.0852809043384 . . . . . . . . . . 26710 6 56 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.834115140433 0.104335753274 . . . . . . . . . . 26710 6 57 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 1.08297844395 0.163433525263 . . . . . . . . . . 26710 6 58 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.890782712757 0.084281845535 . . . . . . . . . . 26710 6 59 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.711166476432 0.0716193583519 . . . . . . . . . . 26710 6 60 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.718611313049 0.0551466494232 . . . . . . . . . . 26710 6 61 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.873151786729 0.0590294096669 . . . . . . . . . . 26710 6 62 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.771298214844 0.0545769700274 . . . . . . . . . . 26710 6 63 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.795098273268 0.0803169455797 . . . . . . . . . . 26710 6 64 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.77536625915 0.0837535732428 . . . . . . . . . . 26710 6 65 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.852052643082 0.0744544649028 . . . . . . . . . . 26710 6 66 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.894225235689 0.0868941617323 . . . . . . . . . . 26710 6 67 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.794093644634 0.117801612763 . . . . . . . . . . 26710 6 68 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.789850724191 0.173383155811 . . . . . . . . . . 26710 6 69 . 1 1 136 136 LYS N N 15 . 1 1 136 136 LYS H H 1 0.812626165874 0.0783959294464 . . . . . . . . . . 26710 6 70 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.771908188654 0.0917253194751 . . . . . . . . . . 26710 6 71 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.797282970785 0.0925915128236 . . . . . . . . . . 26710 6 72 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.841995280517 0.0749956354528 . . . . . . . . . . 26710 6 73 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.786499249777 0.0451417783842 . . . . . . . . . . 26710 6 74 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.85520217181 0.0626350812328 . . . . . . . . . . 26710 6 75 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.573177385764 0.0712590650225 . . . . . . . . . . 26710 6 76 . 1 1 148 148 TRP N N 15 . 1 1 148 148 TRP H H 1 0.812206717103 0.0415222077933 . . . . . . . . . . 26710 6 77 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.796708617655 0.0564390210935 . . . . . . . . . . 26710 6 78 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.693187687975 0.0497600990241 . . . . . . . . . . 26710 6 79 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.73662994908 0.0716429809123 . . . . . . . . . . 26710 6 80 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.821528787066 0.0562937833768 . . . . . . . . . . 26710 6 81 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.728390205619 0.113236950878 . . . . . . . . . . 26710 6 82 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.664778343069 0.0618151507065 . . . . . . . . . . 26710 6 83 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.746012585361 0.0756696340982 . . . . . . . . . . 26710 6 84 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.722877672372 0.103631854815 . . . . . . . . . . 26710 6 85 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.755695924397 0.0736694404144 . . . . . . . . . . 26710 6 86 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.730260844489 0.0550447251445 . . . . . . . . . . 26710 6 87 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.819593617383 0.0929146280155 . . . . . . . . . . 26710 6 88 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.871031503583 0.0842653063385 . . . . . . . . . . 26710 6 89 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.813521621654 0.0753005766047 . . . . . . . . . . 26710 6 90 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.831252445251 0.135068960494 . . . . . . . . . . 26710 6 91 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.883773547892 0.126993963825 . . . . . . . . . . 26710 6 92 . 1 1 169 169 GLU N N 15 . 1 1 169 169 GLU H H 1 0.755703880272 0.102230973313 . . . . . . . . . . 26710 6 93 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.110307836906 0.228205481217 . . . . . . . . . . 26710 6 94 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.895414908476 0.120301555913 . . . . . . . . . . 26710 6 95 . 1 1 174 174 TYR N N 15 . 1 1 174 174 TYR H H 1 0.761415676333 0.0621968040448 . . . . . . . . . . 26710 6 96 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.664578017376 0.0896172189987 . . . . . . . . . . 26710 6 97 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.769509438954 0.0537052014771 . . . . . . . . . . 26710 6 98 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.832193021113 0.084407832016 . . . . . . . . . . 26710 6 99 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.786446246494 0.0712205295129 . . . . . . . . . . 26710 6 100 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.659629318303 0.0586242633408 . . . . . . . . . . 26710 6 101 . 1 1 183 183 LEU N N 15 . 1 1 183 183 LEU H H 1 0.899799546357 0.0588669508943 . . . . . . . . . . 26710 6 102 . 1 1 184 184 ARG N N 15 . 1 1 184 184 ARG H H 1 0.966120778755 0.103946074781 . . . . . . . . . . 26710 6 103 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.697959298143 0.102601323144 . . . . . . . . . . 26710 6 104 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.781136271326 0.0572173337096 . . . . . . . . . . 26710 6 105 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.725092092948 0.0590933412543 . . . . . . . . . . 26710 6 106 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.750024866793 0.0861293505874 . . . . . . . . . . 26710 6 107 . 1 1 194 194 LEU N N 15 . 1 1 194 194 LEU H H 1 0.795634599147 0.0887392052392 . . . . . . . . . . 26710 6 stop_ save_ ############################ # Auto relaxation values # ############################ save_600.18_MHz_R1_relaxation_1 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 600.18_MHz_R1_relaxation_1 _Auto_relaxation_list.Entry_ID 26710 _Auto_relaxation_list.ID 1 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 600.18 _Auto_relaxation_list.Exact_field_strength 600.18 _Auto_relaxation_list.Common_relaxation_type_name R1 _Auto_relaxation_list.Relaxation_coherence_type Iz _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . 1 $sample_1 . 26710 1 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 2 2 3 3 GLN N N 15 0.845005155807 0.0961724204343 . . . . . . . 26710 1 2 . . 2 2 8 8 ILE N N 15 0.541093913071 0.10804010834 . . . . . . . 26710 1 3 . . 2 2 9 9 GLN N N 15 0.538254024285 0.0617971663718 . . . . . . . 26710 1 4 . . 2 2 12 12 SER N N 15 0.586927031457 0.0557805850077 . . . . . . . 26710 1 5 . . 2 2 13 13 ARG N N 15 0.688206640802 0.0847765940335 . . . . . . . 26710 1 6 . . 2 2 14 14 HIS N N 15 0.648506940997 0.0467593489488 . . . . . . . 26710 1 7 . . 2 2 17 17 GLU N N 15 0.542951174656 0.0751273371966 . . . . . . . 26710 1 8 . . 2 2 19 19 GLY N N 15 0.625178220848 0.0905009995141 . . . . . . . 26710 1 9 . . 2 2 20 20 LYS N N 15 0.65259635143 0.0294150268787 . . . . . . . 26710 1 10 . . 2 2 23 23 PHE N N 15 0.594032256876 0.0488184651592 . . . . . . . 26710 1 11 . . 2 2 25 25 ASN N N 15 0.574549313702 0.0734296084842 . . . . . . . 26710 1 12 . . 2 2 26 26 CYS N N 15 0.54310358626 0.054310358626 . . . . . . . 26710 1 13 . . 2 2 27 27 TYR N N 15 0.582564642035 0.0860333759554 . . . . . . . 26710 1 14 . . 2 2 29 29 SER N N 15 0.636275139361 0.0694764820711 . . . . . . . 26710 1 15 . . 2 2 30 30 GLY N N 15 0.61177427942 0.0703166888119 . . . . . . . 26710 1 16 . . 2 2 31 31 PHE N N 15 0.669733924041 0.0538879231867 . . . . . . . 26710 1 17 . . 2 2 34 34 SER N N 15 0.62735307104 0.174440011115 . . . . . . . 26710 1 18 . . 2 2 35 35 ASP N N 15 0.617767960006 0.0231788248 . . . . . . . 26710 1 19 . . 2 2 37 37 GLU N N 15 0.620891938842 0.0576331992058 . . . . . . . 26710 1 20 . . 2 2 38 38 VAL N N 15 0.551905360605 0.0346348013622 . . . . . . . 26710 1 21 . . 2 2 40 40 LEU N N 15 0.577536303579 0.0553757155015 . . . . . . . 26710 1 22 . . 2 2 41 41 LEU N N 15 0.638527732612 0.0757743730745 . . . . . . . 26710 1 23 . . 2 2 43 43 ASN N N 15 0.661218517438 0.0694631501181 . . . . . . . 26710 1 24 . . 2 2 44 44 GLY N N 15 0.655431741945 0.107906990277 . . . . . . . 26710 1 25 . . 2 2 45 45 GLU N N 15 0.598447443257 0.0296939663757 . . . . . . . 26710 1 26 . . 2 2 46 46 ARG N N 15 0.570092449103 0.106780697895 . . . . . . . 26710 1 27 . . 2 2 47 47 ILE N N 15 0.700432490618 0.0860485200326 . . . . . . . 26710 1 28 . . 2 2 48 48 GLU N N 15 0.619940118287 0.0766963568751 . . . . . . . 26710 1 29 . . 2 2 49 49 LYS N N 15 0.551161567043 0.046848756882 . . . . . . . 26710 1 30 . . 2 2 51 51 GLU N N 15 0.578063201522 0.0453361580015 . . . . . . . 26710 1 31 . . 2 2 52 52 HIS N N 15 0.572162834613 0.0264308416931 . . . . . . . 26710 1 32 . . 2 2 53 53 SER N N 15 0.637190744101 0.095103327268 . . . . . . . 26710 1 33 . . 2 2 54 54 ASP N N 15 0.717534992005 0.241499407182 . . . . . . . 26710 1 34 . . 2 2 55 55 LEU N N 15 0.65265809451 0.0713553591396 . . . . . . . 26710 1 35 . . 2 2 56 56 SER N N 15 0.553690646567 0.0685911765676 . . . . . . . 26710 1 36 . . 2 2 57 57 PHE N N 15 0.646138910634 0.0469128130169 . . . . . . . 26710 1 37 . . 2 2 58 58 SER N N 15 0.626695122777 0.0746170260229 . . . . . . . 26710 1 38 . . 2 2 60 60 ASP N N 15 0.60332285218 0.0493762904993 . . . . . . . 26710 1 39 . . 2 2 61 61 TRP N N 15 0.697969555953 0.0696328203607 . . . . . . . 26710 1 40 . . 2 2 61 61 TRP NE1 N 15 0.55467556949 0.032102262215 . . . . . . . 26710 1 41 . . 2 2 62 62 SER N N 15 0.669292771201 0.0603941982516 . . . . . . . 26710 1 42 . . 2 2 63 63 PHE N N 15 0.669921080061 0.0904778278152 . . . . . . . 26710 1 43 . . 2 2 64 64 TYR N N 15 0.54929154915 0.0601928885976 . . . . . . . 26710 1 44 . . 2 2 65 65 LEU N N 15 0.569456060167 0.0596679173843 . . . . . . . 26710 1 45 . . 2 2 66 66 LEU N N 15 0.581464078032 0.0827407688132 . . . . . . . 26710 1 46 . . 2 2 67 67 TYR N N 15 0.622431076724 0.0844051941833 . . . . . . . 26710 1 47 . . 2 2 68 68 TYR N N 15 0.580647360001 0.0449014484568 . . . . . . . 26710 1 48 . . 2 2 69 69 THR N N 15 0.595343482744 0.0545904000354 . . . . . . . 26710 1 49 . . 2 2 70 70 GLU N N 15 0.58889732843 0.0315605700428 . . . . . . . 26710 1 50 . . 2 2 71 71 PHE N N 15 0.643274974947 0.0606934091212 . . . . . . . 26710 1 51 . . 2 2 72 72 THR N N 15 0.622327540297 0.0573718526186 . . . . . . . 26710 1 52 . . 2 2 74 74 THR N N 15 0.609337989025 0.0497541359723 . . . . . . . 26710 1 53 . . 2 2 75 75 GLU N N 15 0.979051441341 0.360202505374 . . . . . . . 26710 1 54 . . 2 2 76 76 LYS N N 15 0.645064359208 0.0770307011898 . . . . . . . 26710 1 55 . . 2 2 77 77 ASP N N 15 0.626303813652 0.0377866280871 . . . . . . . 26710 1 56 . . 2 2 79 79 TYR N N 15 0.585737106571 0.0557263207296 . . . . . . . 26710 1 57 . . 2 2 81 81 CYS N N 15 0.609262111841 0.0611361257629 . . . . . . . 26710 1 58 . . 2 2 82 82 ARG N N 15 0.626126765813 0.0619835691784 . . . . . . . 26710 1 59 . . 2 2 83 83 VAL N N 15 0.591303943189 0.0695653637118 . . . . . . . 26710 1 60 . . 2 2 84 84 ASN N N 15 0.595260413586 0.0611602104654 . . . . . . . 26710 1 61 . . 2 2 85 85 HIS N N 15 0.599146880806 0.0352542089013 . . . . . . . 26710 1 62 . . 2 2 86 86 VAL N N 15 0.679855791803 0.113362328732 . . . . . . . 26710 1 63 . . 2 2 87 87 THR N N 15 0.682499550914 0.0746556516904 . . . . . . . 26710 1 64 . . 2 2 88 88 LEU N N 15 0.642522593854 0.0394166910657 . . . . . . . 26710 1 65 . . 2 2 90 90 GLN N N 15 0.651321907658 0.0228380222954 . . . . . . . 26710 1 66 . . 2 2 92 92 LYS N N 15 0.583999731887 0.0547960356789 . . . . . . . 26710 1 67 . . 2 2 93 93 ILE N N 15 0.614662450007 0.0408060300174 . . . . . . . 26710 1 68 . . 2 2 94 94 VAL N N 15 0.548334829333 0.05815068251 . . . . . . . 26710 1 69 . . 2 2 95 95 LYS N N 15 0.624920296834 0.0507421038727 . . . . . . . 26710 1 70 . . 2 2 96 96 TRP N N 15 0.652954033112 0.0802333363134 . . . . . . . 26710 1 71 . . 2 2 96 96 TRP NE1 N 15 0.550259907216 0.043492575217 . . . . . . . 26710 1 72 . . 2 2 97 97 ASP N N 15 0.583136393555 0.0572886640328 . . . . . . . 26710 1 73 . . 2 2 98 98 ARG N N 15 0.683063822262 0.115620122504 . . . . . . . 26710 1 74 . . 2 2 99 99 ASP N N 15 0.681369410054 0.0366005972422 . . . . . . . 26710 1 75 . . 2 2 100 100 MET N N 15 0.668424370687 0.0302704176177 . . . . . . . 26710 1 stop_ save_ save_600.18_MHz_R2_relaxation_2 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 600.18_MHz_R2_relaxation_2 _Auto_relaxation_list.Entry_ID 26710 _Auto_relaxation_list.ID 2 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 600.18 _Auto_relaxation_list.Exact_field_strength 600.18 _Auto_relaxation_list.Common_relaxation_type_name R2 _Auto_relaxation_list.Relaxation_coherence_type I+ _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . 1 $sample_1 . 26710 2 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 2 2 3 3 GLN N N 15 19.6719534965 1.96719534965 . . . . . . . 26710 2 2 . . 2 2 8 8 ILE N N 15 23.6922570303 3.77293380298 . . . . . . . 26710 2 3 . . 2 2 9 9 GLN N N 15 30.264151591 3.48139832182 . . . . . . . 26710 2 4 . . 2 2 12 12 SER N N 15 25.3303165141 2.90211216579 . . . . . . . 26710 2 5 . . 2 2 13 13 ARG N N 15 27.6462977615 3.86063497922 . . . . . . . 26710 2 6 . . 2 2 14 14 HIS N N 15 24.6603367867 1.78282867523 . . . . . . . 26710 2 7 . . 2 2 17 17 GLU N N 15 25.845652129 2.90039935972 . . . . . . . 26710 2 8 . . 2 2 19 19 GLY N N 15 24.554532108 3.77270269731 . . . . . . . 26710 2 9 . . 2 2 20 20 LYS N N 15 27.1531464184 1.2792235612 . . . . . . . 26710 2 10 . . 2 2 23 23 PHE N N 15 24.5617380267 1.90558568973 . . . . . . . 26710 2 11 . . 2 2 25 25 ASN N N 15 29.5948895471 4.08109835056 . . . . . . . 26710 2 12 . . 2 2 26 26 CYS N N 15 25.497579864 2.6832743753 . . . . . . . 26710 2 13 . . 2 2 27 27 TYR N N 15 28.0726948027 4.75850020053 . . . . . . . 26710 2 14 . . 2 2 29 29 SER N N 15 29.4516228645 3.4685934254 . . . . . . . 26710 2 15 . . 2 2 30 30 GLY N N 15 23.7466308392 2.87708706801 . . . . . . . 26710 2 16 . . 2 2 31 31 PHE N N 15 24.3541690273 2.06927916163 . . . . . . . 26710 2 17 . . 2 2 34 34 SER N N 15 24.4991160452 7.71846078293 . . . . . . . 26710 2 18 . . 2 2 35 35 ASP N N 15 26.6479963564 1.03844019742 . . . . . . . 26710 2 19 . . 2 2 37 37 GLU N N 15 23.7341713448 2.19259895534 . . . . . . . 26710 2 20 . . 2 2 38 38 VAL N N 15 25.1336513993 1.61024740234 . . . . . . . 26710 2 21 . . 2 2 40 40 LEU N N 15 23.8738270624 2.25012640002 . . . . . . . 26710 2 22 . . 2 2 41 41 LEU N N 15 26.2337104977 3.37699489101 . . . . . . . 26710 2 23 . . 2 2 43 43 ASN N N 15 24.8162829953 2.42290927964 . . . . . . . 26710 2 24 . . 2 2 44 44 GLY N N 15 18.7419479192 4.43173198462 . . . . . . . 26710 2 25 . . 2 2 45 45 GLU N N 15 27.7911517501 1.3436006387 . . . . . . . 26710 2 26 . . 2 2 46 46 ARG N N 15 27.1680062678 4.30406424986 . . . . . . . 26710 2 27 . . 2 2 47 47 ILE N N 15 25.0425821834 3.15884839107 . . . . . . . 26710 2 28 . . 2 2 48 48 GLU N N 15 23.8610497833 2.743082707 . . . . . . . 26710 2 29 . . 2 2 49 49 LYS N N 15 22.9795876598 1.59998563705 . . . . . . . 26710 2 30 . . 2 2 51 51 GLU N N 15 26.2084079088 1.97248758592 . . . . . . . 26710 2 31 . . 2 2 52 52 HIS N N 15 26.003130959 1.23942596169 . . . . . . . 26710 2 32 . . 2 2 53 53 SER N N 15 29.34862282 4.62903459137 . . . . . . . 26710 2 33 . . 2 2 54 54 ASP N N 15 25.0649179565 8.49501696061 . . . . . . . 26710 2 34 . . 2 2 55 55 LEU N N 15 22.1480699943 2.4398127893 . . . . . . . 26710 2 35 . . 2 2 56 56 SER N N 15 31.1999076708 3.69426900112 . . . . . . . 26710 2 36 . . 2 2 57 57 PHE N N 15 23.1956988323 1.90619947249 . . . . . . . 26710 2 37 . . 2 2 58 58 SER N N 15 25.3857216651 3.17195663559 . . . . . . . 26710 2 38 . . 2 2 60 60 ASP N N 15 28.7544976975 2.13368057362 . . . . . . . 26710 2 39 . . 2 2 61 61 TRP N N 15 27.9578512298 2.6592549428 . . . . . . . 26710 2 40 . . 2 2 61 61 TRP NE1 N 15 22.1858977474 1.20420777976 . . . . . . . 26710 2 41 . . 2 2 62 62 SER N N 15 28.7248643538 2.77507095653 . . . . . . . 26710 2 42 . . 2 2 63 63 PHE N N 15 27.1195867305 3.91597914196 . . . . . . . 26710 2 43 . . 2 2 64 64 TYR N N 15 27.4045762684 2.90326489264 . . . . . . . 26710 2 44 . . 2 2 65 65 LEU N N 15 28.3770800508 3.04274913768 . . . . . . . 26710 2 45 . . 2 2 66 66 LEU N N 15 29.1898807737 4.47519357278 . . . . . . . 26710 2 46 . . 2 2 67 67 TYR N N 15 23.9238568271 3.6145598393 . . . . . . . 26710 2 47 . . 2 2 68 68 TYR N N 15 30.1791497104 2.63321146517 . . . . . . . 26710 2 48 . . 2 2 69 69 THR N N 15 28.2705876498 2.88385910439 . . . . . . . 26710 2 49 . . 2 2 70 70 GLU N N 15 26.4619580391 1.40697838908 . . . . . . . 26710 2 50 . . 2 2 71 71 PHE N N 15 25.1576340402 2.32446923373 . . . . . . . 26710 2 51 . . 2 2 72 72 THR N N 15 25.6132050939 2.12858590326 . . . . . . . 26710 2 52 . . 2 2 74 74 THR N N 15 24.5683656736 1.85820798978 . . . . . . . 26710 2 53 . . 2 2 75 75 GLU N N 15 10.3054541971 8.10973979188 . . . . . . . 26710 2 54 . . 2 2 76 76 LYS N N 15 18.8563871916 1.81982048593 . . . . . . . 26710 2 55 . . 2 2 77 77 ASP N N 15 23.4115708576 1.25725856105 . . . . . . . 26710 2 56 . . 2 2 79 79 TYR N N 15 24.0284089458 2.14902590742 . . . . . . . 26710 2 57 . . 2 2 81 81 CYS N N 15 26.0854032079 2.59789121082 . . . . . . . 26710 2 58 . . 2 2 82 82 ARG N N 15 25.9365413398 2.68314030774 . . . . . . . 26710 2 59 . . 2 2 83 83 VAL N N 15 27.179183148 3.22571208007 . . . . . . . 26710 2 60 . . 2 2 84 84 ASN N N 15 28.2046102069 2.75577732845 . . . . . . . 26710 2 61 . . 2 2 85 85 HIS N N 15 24.3983536633 1.41969310376 . . . . . . . 26710 2 62 . . 2 2 86 86 VAL N N 15 25.4602196657 4.04636426565 . . . . . . . 26710 2 63 . . 2 2 87 87 THR N N 15 26.5984006048 2.8180988232 . . . . . . . 26710 2 64 . . 2 2 88 88 LEU N N 15 27.0894087363 1.86983190149 . . . . . . . 26710 2 65 . . 2 2 90 90 GLN N N 15 22.6794974755 0.650296274499 . . . . . . . 26710 2 66 . . 2 2 92 92 LYS N N 15 27.3597906435 2.6755654007 . . . . . . . 26710 2 67 . . 2 2 93 93 ILE N N 15 24.0379797953 1.50901865025 . . . . . . . 26710 2 68 . . 2 2 94 94 VAL N N 15 27.110970915 2.94019512502 . . . . . . . 26710 2 69 . . 2 2 95 95 LYS N N 15 23.561196524 1.86159499589 . . . . . . . 26710 2 70 . . 2 2 96 96 TRP N N 15 24.744267922 3.12058982065 . . . . . . . 26710 2 71 . . 2 2 96 96 TRP NE1 N 15 21.8808852406 1.6934573673 . . . . . . . 26710 2 72 . . 2 2 97 97 ASP N N 15 26.4911898112 2.72243917446 . . . . . . . 26710 2 73 . . 2 2 98 98 ARG N N 15 27.4457368103 4.23430794016 . . . . . . . 26710 2 74 . . 2 2 99 99 ASP N N 15 25.3215780583 1.35666477352 . . . . . . . 26710 2 75 . . 2 2 100 100 MET N N 15 23.9397003685 1.0936414894 . . . . . . . 26710 2 stop_ save_ save_750.46_MHz_R1_relaxation_3 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 750.46_MHz_R1_relaxation_3 _Auto_relaxation_list.Entry_ID 26710 _Auto_relaxation_list.ID 3 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 750.46 _Auto_relaxation_list.Exact_field_strength 750.46 _Auto_relaxation_list.Common_relaxation_type_name R1 _Auto_relaxation_list.Relaxation_coherence_type Iz _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . 1 $sample_1 . 26710 3 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 2 2 3 3 GLN N N 15 0.739663919784 0.087196778922 . . . . . . . 26710 3 2 . . 2 2 8 8 ILE N N 15 0.456773745117 0.0733156858809 . . . . . . . 26710 3 3 . . 2 2 9 9 GLN N N 15 0.394725216561 0.0461367031515 . . . . . . . 26710 3 4 . . 2 2 12 12 SER N N 15 0.426671772209 0.0423223826441 . . . . . . . 26710 3 5 . . 2 2 13 13 ARG N N 15 0.50151075443 0.0651755335843 . . . . . . . 26710 3 6 . . 2 2 14 14 HIS N N 15 0.458539048551 0.0337950910956 . . . . . . . 26710 3 7 . . 2 2 17 17 GLU N N 15 0.436137509463 0.0610502151406 . . . . . . . 26710 3 8 . . 2 2 19 19 GLY N N 15 0.506531068305 0.0658112694925 . . . . . . . 26710 3 9 . . 2 2 20 20 LYS N N 15 0.49452437526 0.0273553144779 . . . . . . . 26710 3 10 . . 2 2 23 23 PHE N N 15 0.424254024311 0.0410495438508 . . . . . . . 26710 3 11 . . 2 2 25 25 ASN N N 15 0.387960414884 0.0515545914583 . . . . . . . 26710 3 12 . . 2 2 26 26 CYS N N 15 0.410059143503 0.04297369966 . . . . . . . 26710 3 13 . . 2 2 27 27 TYR N N 15 0.412191793429 0.0637514822179 . . . . . . . 26710 3 14 . . 2 2 29 29 SER N N 15 0.449709150022 0.0517784941037 . . . . . . . 26710 3 15 . . 2 2 30 30 GLY N N 15 0.431840190551 0.0485448068129 . . . . . . . 26710 3 16 . . 2 2 31 31 PHE N N 15 0.549984304555 0.039627155425 . . . . . . . 26710 3 17 . . 2 2 34 34 SER N N 15 0.466482676221 0.124473908673 . . . . . . . 26710 3 18 . . 2 2 35 35 ASP N N 15 0.484348000386 0.0188044260279 . . . . . . . 26710 3 19 . . 2 2 37 37 GLU N N 15 0.449223533931 0.0427694200468 . . . . . . . 26710 3 20 . . 2 2 38 38 VAL N N 15 0.415137231787 0.0296954549372 . . . . . . . 26710 3 21 . . 2 2 40 40 LEU N N 15 0.398972988401 0.0380129917544 . . . . . . . 26710 3 22 . . 2 2 41 41 LEU N N 15 0.46512537385 0.0538288190013 . . . . . . . 26710 3 23 . . 2 2 43 43 ASN N N 15 0.501005706935 0.0559030109762 . . . . . . . 26710 3 24 . . 2 2 44 44 GLY N N 15 0.506657735461 0.0700911943859 . . . . . . . 26710 3 25 . . 2 2 45 45 GLU N N 15 0.436292612582 0.0235057284033 . . . . . . . 26710 3 26 . . 2 2 46 46 ARG N N 15 0.482759662058 0.0721939233928 . . . . . . . 26710 3 27 . . 2 2 47 47 ILE N N 15 0.505584855035 0.0635565134592 . . . . . . . 26710 3 28 . . 2 2 48 48 GLU N N 15 0.485405991949 0.0542655706526 . . . . . . . 26710 3 29 . . 2 2 49 49 LYS N N 15 0.453174455862 0.0361925341342 . . . . . . . 26710 3 30 . . 2 2 51 51 GLU N N 15 0.419707934567 0.0352581003125 . . . . . . . 26710 3 31 . . 2 2 52 52 HIS N N 15 0.461532410288 0.0226059988851 . . . . . . . 26710 3 32 . . 2 2 53 53 SER N N 15 0.492826057761 0.0806247187262 . . . . . . . 26710 3 33 . . 2 2 54 54 ASP N N 15 0.521170400597 0.163494217526 . . . . . . . 26710 3 34 . . 2 2 55 55 LEU N N 15 0.559326040454 0.0634498195698 . . . . . . . 26710 3 35 . . 2 2 56 56 SER N N 15 0.451128967889 0.0550004837047 . . . . . . . 26710 3 36 . . 2 2 57 57 PHE N N 15 0.443713693986 0.0395425138643 . . . . . . . 26710 3 37 . . 2 2 58 58 SER N N 15 0.471027412105 0.0599469141236 . . . . . . . 26710 3 38 . . 2 2 60 60 ASP N N 15 0.500735490995 0.0361558334123 . . . . . . . 26710 3 39 . . 2 2 61 61 TRP N N 15 0.482390027006 0.0547206617389 . . . . . . . 26710 3 40 . . 2 2 61 61 TRP NE1 N 15 0.384415534114 0.0322085932863 . . . . . . . 26710 3 41 . . 2 2 62 62 SER N N 15 0.486116248916 0.0514761091618 . . . . . . . 26710 3 42 . . 2 2 63 63 PHE N N 15 0.532964088685 0.0784275441077 . . . . . . . 26710 3 43 . . 2 2 64 64 TYR N N 15 0.418372399571 0.0472738428403 . . . . . . . 26710 3 44 . . 2 2 65 65 LEU N N 15 0.463870376237 0.0463870376237 . . . . . . . 26710 3 45 . . 2 2 66 66 LEU N N 15 0.359832766477 0.0633868101656 . . . . . . . 26710 3 46 . . 2 2 67 67 TYR N N 15 0.42292392284 0.0578253828116 . . . . . . . 26710 3 47 . . 2 2 68 68 TYR N N 15 0.422140398041 0.0371891079705 . . . . . . . 26710 3 48 . . 2 2 69 69 THR N N 15 0.469088084432 0.0393858830598 . . . . . . . 26710 3 49 . . 2 2 70 70 GLU N N 15 0.46820371883 0.0268434855716 . . . . . . . 26710 3 50 . . 2 2 71 71 PHE N N 15 0.46143188441 0.0451581820738 . . . . . . . 26710 3 51 . . 2 2 72 72 THR N N 15 0.510366019627 0.0454092922095 . . . . . . . 26710 3 52 . . 2 2 74 74 THR N N 15 0.465641536428 0.0352431881885 . . . . . . . 26710 3 53 . . 2 2 75 75 GLU N N 15 0.4914209828 0.160431546165 . . . . . . . 26710 3 54 . . 2 2 76 76 LYS N N 15 0.554527816986 0.0528259799927 . . . . . . . 26710 3 55 . . 2 2 77 77 ASP N N 15 0.528034291345 0.0269729311509 . . . . . . . 26710 3 56 . . 2 2 79 79 TYR N N 15 0.460152171926 0.0434632278724 . . . . . . . 26710 3 57 . . 2 2 81 81 CYS N N 15 0.454717678416 0.0427818848915 . . . . . . . 26710 3 58 . . 2 2 82 82 ARG N N 15 0.490235706844 0.0455605860301 . . . . . . . 26710 3 59 . . 2 2 83 83 VAL N N 15 0.423405970255 0.0520189560973 . . . . . . . 26710 3 60 . . 2 2 84 84 ASN N N 15 0.489948882471 0.0494331597579 . . . . . . . 26710 3 61 . . 2 2 85 85 HIS N N 15 0.441891633676 0.027298785167 . . . . . . . 26710 3 62 . . 2 2 86 86 VAL N N 15 0.513436550459 0.0799343034696 . . . . . . . 26710 3 63 . . 2 2 87 87 THR N N 15 0.514593861352 0.0446371072197 . . . . . . . 26710 3 64 . . 2 2 88 88 LEU N N 15 0.465978638131 0.0312491768207 . . . . . . . 26710 3 65 . . 2 2 90 90 GLN N N 15 0.536559093093 0.016803153406 . . . . . . . 26710 3 66 . . 2 2 92 92 LYS N N 15 0.445434978817 0.0391418333308 . . . . . . . 26710 3 67 . . 2 2 93 93 ILE N N 15 0.452564532316 0.0302192593215 . . . . . . . 26710 3 68 . . 2 2 94 94 VAL N N 15 0.433154733393 0.0492975447652 . . . . . . . 26710 3 69 . . 2 2 95 95 LYS N N 15 0.505056767334 0.0361803666816 . . . . . . . 26710 3 70 . . 2 2 96 96 TRP N N 15 0.51400983581 0.0582209966893 . . . . . . . 26710 3 71 . . 2 2 96 96 TRP NE1 N 15 0.391387972154 0.0391080952819 . . . . . . . 26710 3 72 . . 2 2 97 97 ASP N N 15 0.456083778537 0.0506492139062 . . . . . . . 26710 3 73 . . 2 2 98 98 ARG N N 15 0.523379867868 0.0846282654035 . . . . . . . 26710 3 74 . . 2 2 99 99 ASP N N 15 0.535604915551 0.0265551104249 . . . . . . . 26710 3 75 . . 2 2 100 100 MET N N 15 0.533624651999 0.0249097507222 . . . . . . . 26710 3 stop_ save_ save_750.46_MHz_R2_relaxation_4 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 750.46_MHz_R2_relaxation_4 _Auto_relaxation_list.Entry_ID 26710 _Auto_relaxation_list.ID 4 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 750.46 _Auto_relaxation_list.Exact_field_strength 750.46 _Auto_relaxation_list.Common_relaxation_type_name R2 _Auto_relaxation_list.Relaxation_coherence_type I+ _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . 1 $sample_1 . 26710 4 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 2 2 3 3 GLN N N 15 19.4189017546 1.84082681843 . . . . . . . 26710 4 2 . . 2 2 8 8 ILE N N 15 24.1978948241 3.0552022008 . . . . . . . 26710 4 3 . . 2 2 9 9 GLN N N 15 33.8715023359 3.77035156911 . . . . . . . 26710 4 4 . . 2 2 12 12 SER N N 15 28.4076862416 3.01935262693 . . . . . . . 26710 4 5 . . 2 2 13 13 ARG N N 15 25.3645232401 3.80469006535 . . . . . . . 26710 4 6 . . 2 2 14 14 HIS N N 15 28.2687609949 1.9404254856 . . . . . . . 26710 4 7 . . 2 2 17 17 GLU N N 15 30.2391091068 3.61592839696 . . . . . . . 26710 4 8 . . 2 2 19 19 GLY N N 15 28.7070014015 3.29323616165 . . . . . . . 26710 4 9 . . 2 2 20 20 LYS N N 15 28.8899804436 1.37899353096 . . . . . . . 26710 4 10 . . 2 2 23 23 PHE N N 15 29.3087863887 2.41502568383 . . . . . . . 26710 4 11 . . 2 2 25 25 ASN N N 15 38.0615670717 4.94435366302 . . . . . . . 26710 4 12 . . 2 2 26 26 CYS N N 15 28.6777801363 3.35172374141 . . . . . . . 26710 4 13 . . 2 2 27 27 TYR N N 15 29.1375811121 6.24113542417 . . . . . . . 26710 4 14 . . 2 2 29 29 SER N N 15 34.8249938847 4.12329445002 . . . . . . . 26710 4 15 . . 2 2 30 30 GLY N N 15 33.3015071926 3.45311315094 . . . . . . . 26710 4 16 . . 2 2 31 31 PHE N N 15 27.6061479143 2.33313544085 . . . . . . . 26710 4 17 . . 2 2 34 34 SER N N 15 39.4232148965 10.1901395555 . . . . . . . 26710 4 18 . . 2 2 35 35 ASP N N 15 29.2708496632 1.06625448346 . . . . . . . 26710 4 19 . . 2 2 37 37 GLU N N 15 27.3417139357 2.97512063443 . . . . . . . 26710 4 20 . . 2 2 38 38 VAL N N 15 28.041731006 1.8325735455 . . . . . . . 26710 4 21 . . 2 2 40 40 LEU N N 15 26.7079816617 2.67079816617 . . . . . . . 26710 4 22 . . 2 2 41 41 LEU N N 15 31.6185252306 3.69118689748 . . . . . . . 26710 4 23 . . 2 2 43 43 ASN N N 15 26.0993682931 3.21427659076 . . . . . . . 26710 4 24 . . 2 2 44 44 GLY N N 15 25.2543748625 3.00755137767 . . . . . . . 26710 4 25 . . 2 2 45 45 GLU N N 15 29.94084108 1.63080862793 . . . . . . . 26710 4 26 . . 2 2 46 46 ARG N N 15 28.5253964766 3.1055445296 . . . . . . . 26710 4 27 . . 2 2 47 47 ILE N N 15 26.6945722078 3.53020065552 . . . . . . . 26710 4 28 . . 2 2 48 48 GLU N N 15 29.9198092178 2.82993193267 . . . . . . . 26710 4 29 . . 2 2 49 49 LYS N N 15 24.3921952114 1.43253230362 . . . . . . . 26710 4 30 . . 2 2 51 51 GLU N N 15 27.7079141879 2.18501243532 . . . . . . . 26710 4 31 . . 2 2 52 52 HIS N N 15 28.8753787118 1.33717551977 . . . . . . . 26710 4 32 . . 2 2 53 53 SER N N 15 37.9439128511 6.21737673098 . . . . . . . 26710 4 33 . . 2 2 54 54 ASP N N 15 32.0823847701 7.61602576984 . . . . . . . 26710 4 34 . . 2 2 55 55 LEU N N 15 28.1576755976 2.74788114647 . . . . . . . 26710 4 35 . . 2 2 56 56 SER N N 15 34.47577148 4.19722764128 . . . . . . . 26710 4 36 . . 2 2 57 57 PHE N N 15 28.3504013946 2.53586276581 . . . . . . . 26710 4 37 . . 2 2 58 58 SER N N 15 29.0609678442 3.45753890927 . . . . . . . 26710 4 38 . . 2 2 60 60 ASP N N 15 32.20611438 2.01654385653 . . . . . . . 26710 4 39 . . 2 2 61 61 TRP N N 15 27.5976710688 2.73336486191 . . . . . . . 26710 4 40 . . 2 2 61 61 TRP NE1 N 15 22.3174587094 1.59014287108 . . . . . . . 26710 4 41 . . 2 2 62 62 SER N N 15 35.2185979409 3.27091321346 . . . . . . . 26710 4 42 . . 2 2 63 63 PHE N N 15 31.4973834681 4.31492222824 . . . . . . . 26710 4 43 . . 2 2 64 64 TYR N N 15 32.6094519017 3.80748469576 . . . . . . . 26710 4 44 . . 2 2 65 65 LEU N N 15 28.9778357627 3.11260440495 . . . . . . . 26710 4 45 . . 2 2 66 66 LEU N N 15 33.9387576293 4.67745581381 . . . . . . . 26710 4 46 . . 2 2 67 67 TYR N N 15 32.0046182742 4.95521017524 . . . . . . . 26710 4 47 . . 2 2 68 68 TYR N N 15 32.5197236171 3.13467139959 . . . . . . . 26710 4 48 . . 2 2 69 69 THR N N 15 29.1484341826 2.9163040509 . . . . . . . 26710 4 49 . . 2 2 70 70 GLU N N 15 28.5233845735 1.55546327741 . . . . . . . 26710 4 50 . . 2 2 71 71 PHE N N 15 30.0193407665 2.41667576869 . . . . . . . 26710 4 51 . . 2 2 72 72 THR N N 15 28.422992184 2.04381824351 . . . . . . . 26710 4 52 . . 2 2 74 74 THR N N 15 26.0411779287 1.74643782522 . . . . . . . 26710 4 53 . . 2 2 75 75 GLU N N 15 23.1788744727 6.97600604163 . . . . . . . 26710 4 54 . . 2 2 76 76 LYS N N 15 22.960631266 1.4529103774 . . . . . . . 26710 4 55 . . 2 2 77 77 ASP N N 15 26.5603020882 1.16953359522 . . . . . . . 26710 4 56 . . 2 2 79 79 TYR N N 15 29.1284394325 2.61903234081 . . . . . . . 26710 4 57 . . 2 2 81 81 CYS N N 15 27.9827741144 2.7755449122 . . . . . . . 26710 4 58 . . 2 2 82 82 ARG N N 15 25.6345579635 2.93374014261 . . . . . . . 26710 4 59 . . 2 2 83 83 VAL N N 15 28.0388540438 4.31588308226 . . . . . . . 26710 4 60 . . 2 2 84 84 ASN N N 15 28.0063235948 3.05635195312 . . . . . . . 26710 4 61 . . 2 2 85 85 HIS N N 15 27.8232049437 1.56853487448 . . . . . . . 26710 4 62 . . 2 2 86 86 VAL N N 15 28.872870149 3.96922817836 . . . . . . . 26710 4 63 . . 2 2 87 87 THR N N 15 29.5622223788 2.64754374565 . . . . . . . 26710 4 64 . . 2 2 88 88 LEU N N 15 30.6013712237 2.24069868808 . . . . . . . 26710 4 65 . . 2 2 90 90 GLN N N 15 26.0868867295 0.693581244315 . . . . . . . 26710 4 66 . . 2 2 92 92 LYS N N 15 27.0814109053 2.47333944415 . . . . . . . 26710 4 67 . . 2 2 93 93 ILE N N 15 26.1216315905 1.69639380385 . . . . . . . 26710 4 68 . . 2 2 94 94 VAL N N 15 31.191187456 3.83933744127 . . . . . . . 26710 4 69 . . 2 2 95 95 LYS N N 15 25.4854558469 2.20663574285 . . . . . . . 26710 4 70 . . 2 2 96 96 TRP N N 15 27.7667161183 3.27957935645 . . . . . . . 26710 4 71 . . 2 2 96 96 TRP NE1 N 15 22.4472496233 1.97348448993 . . . . . . . 26710 4 72 . . 2 2 97 97 ASP N N 15 30.7159306381 4.23506545148 . . . . . . . 26710 4 73 . . 2 2 98 98 ARG N N 15 27.0820979196 3.34708879262 . . . . . . . 26710 4 74 . . 2 2 99 99 ASP N N 15 27.259613936 1.33083515933 . . . . . . . 26710 4 75 . . 2 2 100 100 MET N N 15 26.7522019438 1.34349818309 . . . . . . . 26710 4 stop_ save_ save_600.18_MHz_R1_relaxation_bottom_1 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 600.18_MHz_R1_relaxation_bottom_1 _Auto_relaxation_list.Entry_ID 26710 _Auto_relaxation_list.ID 5 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 600.18 _Auto_relaxation_list.Exact_field_strength 600.18 _Auto_relaxation_list.Common_relaxation_type_name R1 _Auto_relaxation_list.Relaxation_coherence_type Iz _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . 1 $sample_1 . 26710 5 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 203 203 HIS N N 15 0.606393502693 0.0221314444801 . . . . . . . 26710 5 2 . . 1 1 206 206 HIS N N 15 0.655539396102 0.0173935751103 . . . . . . . 26710 5 3 . . 1 1 209 209 ILE N N 15 0.636459370369 0.0264229812094 . . . . . . . 26710 5 4 . . 1 1 210 210 SER N N 15 0.845504272587 0.0304182637551 . . . . . . . 26710 5 5 . . 1 1 212 212 HIS N N 15 0.683181836443 0.127943240791 . . . . . . . 26710 5 6 . . 1 1 213 213 GLU N N 15 0.639231282436 0.0257316584771 . . . . . . . 26710 5 7 . . 1 1 214 214 ALA N N 15 0.66012587739 0.0187145551491 . . . . . . . 26710 5 8 . . 1 1 215 215 THR N N 15 0.658421034838 0.0190531323324 . . . . . . . 26710 5 9 . . 1 1 218 218 CYS N N 15 0.654517975664 0.0292355998268 . . . . . . . 26710 5 10 . . 1 1 219 219 TRP N N 15 0.598181159438 0.0209037154157 . . . . . . . 26710 5 11 . . 1 1 222 222 GLY N N 15 0.625451549027 0.0215288875861 . . . . . . . 26710 5 12 . . 1 1 224 224 TYR N N 15 0.62231654348 0.020352458672 . . . . . . . 26710 5 13 . . 1 1 227 227 GLU N N 15 0.573195754287 0.0148171474267 . . . . . . . 26710 5 14 . . 1 1 228 228 ILE N N 15 0.662347469166 0.0137940387113 . . . . . . . 26710 5 15 . . 1 1 231 231 THR N N 15 0.655772581547 0.0187122607455 . . . . . . . 26710 5 16 . . 1 1 232 232 TRP N N 15 0.65660138853 0.0181216989001 . . . . . . . 26710 5 17 . . 1 1 233 233 GLN N N 15 0.637138977885 0.0207296512062 . . . . . . . 26710 5 18 . . 1 1 234 234 ARG N N 15 0.650999208415 0.0203531265098 . . . . . . . 26710 5 19 . . 1 1 235 235 ASP N N 15 0.72348064942 0.0268412051932 . . . . . . . 26710 5 20 . . 1 1 236 236 GLY N N 15 0.723801268457 0.0440128833685 . . . . . . . 26710 5 21 . . 1 1 237 237 GLU N N 15 0.737303891741 0.0193132208664 . . . . . . . 26710 5 22 . . 1 1 242 242 ASP N N 15 0.752770333149 0.0371519590846 . . . . . . . 26710 5 23 . . 1 1 243 243 THR N N 15 0.700097694314 0.0222926376687 . . . . . . . 26710 5 24 . . 1 1 244 244 GLU N N 15 0.618245360292 0.0205030022344 . . . . . . . 26710 5 25 . . 1 1 245 245 LEU N N 15 0.687392551003 0.0148629989347 . . . . . . . 26710 5 26 . . 1 1 246 246 VAL N N 15 0.637110422579 0.016558755318 . . . . . . . 26710 5 27 . . 1 1 247 247 GLU N N 15 0.65749029802 0.0154140033679 . . . . . . . 26710 5 28 . . 1 1 249 249 ARG N N 15 0.629771729063 0.0239931960664 . . . . . . . 26710 5 29 . . 1 1 251 251 ALA N N 15 0.657667026557 0.0253467920685 . . . . . . . 26710 5 30 . . 1 1 252 252 GLY N N 15 0.703349978047 0.0443474718523 . . . . . . . 26710 5 31 . . 1 1 254 254 ARG N N 15 0.919726297089 0.125353999808 . . . . . . . 26710 5 32 . . 1 1 255 255 THR N N 15 0.722723889216 0.0397545388838 . . . . . . . 26710 5 33 . . 1 1 256 256 PHE N N 15 0.661760524016 0.0223633824025 . . . . . . . 26710 5 34 . . 1 1 257 257 GLN N N 15 0.598181962878 0.0188683195097 . . . . . . . 26710 5 35 . . 1 1 258 258 LYS N N 15 0.615175711205 0.0180525821645 . . . . . . . 26710 5 36 . . 1 1 259 259 TRP N N 15 0.594407256481 0.0203695069746 . . . . . . . 26710 5 37 . . 1 1 260 260 ALA N N 15 0.65356177266 0.0218386510422 . . . . . . . 26710 5 38 . . 1 1 261 261 ALA N N 15 0.616030582063 0.0289712673718 . . . . . . . 26710 5 39 . . 1 1 263 263 VAL N N 15 0.660091507456 0.0174655555025 . . . . . . . 26710 5 40 . . 1 1 266 266 SER N N 15 0.685176313219 0.0141803463906 . . . . . . . 26710 5 41 . . 1 1 267 267 GLY N N 15 0.639792355069 0.0207217883457 . . . . . . . 26710 5 42 . . 1 1 269 269 GLU N N 15 0.637529207917 0.0290689209591 . . . . . . . 26710 5 43 . . 1 1 270 270 GLN N N 15 0.65412361645 0.028977577691 . . . . . . . 26710 5 44 . . 1 1 271 271 ARG N N 15 0.694517202393 0.0238720775022 . . . . . . . 26710 5 45 . . 1 1 272 272 TYR N N 15 0.655559715474 0.0225628467584 . . . . . . . 26710 5 46 . . 1 1 273 273 THR N N 15 0.640227863151 0.020898641826 . . . . . . . 26710 5 47 . . 1 1 275 275 HIS N N 15 0.668874222721 0.0237985927073 . . . . . . . 26710 5 48 . . 1 1 276 276 VAL N N 15 0.633306506809 0.0206518017505 . . . . . . . 26710 5 49 . . 1 1 278 278 HIS N N 15 0.629614793953 0.0161764806364 . . . . . . . 26710 5 50 . . 1 1 279 279 GLU N N 15 0.677265912322 0.0180789821271 . . . . . . . 26710 5 51 . . 1 1 280 280 GLY N N 15 0.670297163977 0.0321642615787 . . . . . . . 26710 5 52 . . 1 1 281 281 LEU N N 15 0.657374500285 0.0176934850816 . . . . . . . 26710 5 53 . . 1 1 287 287 LEU N N 15 0.644717116193 0.0222371720398 . . . . . . . 26710 5 54 . . 1 1 289 289 TRP N N 15 0.718281550483 0.0187321520916 . . . . . . . 26710 5 55 . . 1 1 290 290 GLU N N 15 0.716299763902 0.0124819231762 . . . . . . . 26710 5 stop_ save_ save_600.18_MHz_R2_relaxation_bottom_2 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 600.18_MHz_R2_relaxation_bottom_2 _Auto_relaxation_list.Entry_ID 26710 _Auto_relaxation_list.ID 6 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 600.18 _Auto_relaxation_list.Exact_field_strength 600.18 _Auto_relaxation_list.Common_relaxation_type_name R2 _Auto_relaxation_list.Relaxation_coherence_type I+ _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . 1 $sample_1 . 26710 6 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 203 203 HIS N N 15 21.9884466727 0.471482925072 . . . . . . . 26710 6 2 . . 1 1 206 206 HIS N N 15 24.765025042 0.361570207637 . . . . . . . 26710 6 3 . . 1 1 209 209 ILE N N 15 22.6627954383 0.453292487889 . . . . . . . 26710 6 4 . . 1 1 210 210 SER N N 15 19.1425072777 0.371189570358 . . . . . . . 26710 6 5 . . 1 1 212 212 HIS N N 15 22.9460240988 2.01339082354 . . . . . . . 26710 6 6 . . 1 1 213 213 GLU N N 15 25.4727578614 0.470620631912 . . . . . . . 26710 6 7 . . 1 1 214 214 ALA N N 15 23.9954480472 0.416143246691 . . . . . . . 26710 6 8 . . 1 1 215 215 THR N N 15 23.8007084348 0.371954341163 . . . . . . . 26710 6 9 . . 1 1 218 218 CYS N N 15 24.8420046293 0.807708972229 . . . . . . . 26710 6 10 . . 1 1 219 219 TRP N N 15 26.300380183 0.600490167299 . . . . . . . 26710 6 11 . . 1 1 222 222 GLY N N 15 21.3354131957 0.402883485797 . . . . . . . 26710 6 12 . . 1 1 224 224 TYR N N 15 26.1507013659 0.58279249701 . . . . . . . 26710 6 13 . . 1 1 227 227 GLU N N 15 24.6960450014 0.372602935629 . . . . . . . 26710 6 14 . . 1 1 228 228 ILE N N 15 24.197959749 0.302850653574 . . . . . . . 26710 6 15 . . 1 1 231 231 THR N N 15 23.8548988892 0.411207409556 . . . . . . . 26710 6 16 . . 1 1 232 232 TRP N N 15 25.0309196341 0.344572112864 . . . . . . . 26710 6 17 . . 1 1 233 233 GLN N N 15 23.3957661614 0.395243109999 . . . . . . . 26710 6 18 . . 1 1 234 234 ARG N N 15 25.7103967947 0.376750156303 . . . . . . . 26710 6 19 . . 1 1 235 235 ASP N N 15 24.46459046 0.454381080908 . . . . . . . 26710 6 20 . . 1 1 236 236 GLY N N 15 23.0428442349 0.679211293375 . . . . . . . 26710 6 21 . . 1 1 237 237 GLU N N 15 24.7733395275 0.384141096502 . . . . . . . 26710 6 22 . . 1 1 242 242 ASP N N 15 22.6446788232 0.511437190151 . . . . . . . 26710 6 23 . . 1 1 243 243 THR N N 15 20.8408193739 0.320218582226 . . . . . . . 26710 6 24 . . 1 1 244 244 GLU N N 15 24.4658813478 0.517953153043 . . . . . . . 26710 6 25 . . 1 1 245 245 LEU N N 15 22.9339446698 0.273431192198 . . . . . . . 26710 6 26 . . 1 1 246 246 VAL N N 15 23.4640412157 0.35621703755 . . . . . . . 26710 6 27 . . 1 1 247 247 GLU N N 15 23.8489507677 0.295673046559 . . . . . . . 26710 6 28 . . 1 1 249 249 ARG N N 15 28.1907464642 0.684747029441 . . . . . . . 26710 6 29 . . 1 1 251 251 ALA N N 15 25.8797955979 0.500598384497 . . . . . . . 26710 6 30 . . 1 1 252 252 GLY N N 15 24.7029174532 0.805406303573 . . . . . . . 26710 6 31 . . 1 1 254 254 ARG N N 15 21.2214495375 1.19165149871 . . . . . . . 26710 6 32 . . 1 1 255 255 THR N N 15 20.1734365215 0.576151368949 . . . . . . . 26710 6 33 . . 1 1 256 256 PHE N N 15 24.1990553898 0.546318190247 . . . . . . . 26710 6 34 . . 1 1 257 257 GLN N N 15 25.2226127055 0.531573100404 . . . . . . . 26710 6 35 . . 1 1 258 258 LYS N N 15 26.1001385984 0.600063604219 . . . . . . . 26710 6 36 . . 1 1 259 259 TRP N N 15 26.5372067885 0.578171355815 . . . . . . . 26710 6 37 . . 1 1 260 260 ALA N N 15 26.3392519068 0.64443389321 . . . . . . . 26710 6 38 . . 1 1 261 261 ALA N N 15 26.9022749389 0.812244840994 . . . . . . . 26710 6 39 . . 1 1 263 263 VAL N N 15 24.9899939637 0.430029693583 . . . . . . . 26710 6 40 . . 1 1 266 266 SER N N 15 24.0455642615 0.311405911418 . . . . . . . 26710 6 41 . . 1 1 267 267 GLY N N 15 23.9637167887 0.435795735545 . . . . . . . 26710 6 42 . . 1 1 269 269 GLU N N 15 23.8160328564 0.605630543099 . . . . . . . 26710 6 43 . . 1 1 270 270 GLN N N 15 25.2087992096 0.53973462086 . . . . . . . 26710 6 44 . . 1 1 271 271 ARG N N 15 26.2696094454 0.49682330568 . . . . . . . 26710 6 45 . . 1 1 272 272 TYR N N 15 27.8015977327 0.599604924318 . . . . . . . 26710 6 46 . . 1 1 273 273 THR N N 15 23.9792864649 0.471327209718 . . . . . . . 26710 6 47 . . 1 1 275 275 HIS N N 15 23.0250648617 0.570299733028 . . . . . . . 26710 6 48 . . 1 1 276 276 VAL N N 15 24.342649107 0.538153292574 . . . . . . . 26710 6 49 . . 1 1 278 278 HIS N N 15 24.8313692412 0.39424533155 . . . . . . . 26710 6 50 . . 1 1 279 279 GLU N N 15 22.6517032831 0.315191308347 . . . . . . . 26710 6 51 . . 1 1 280 280 GLY N N 15 25.0072991816 0.662616586472 . . . . . . . 26710 6 52 . . 1 1 281 281 LEU N N 15 14.0267312142 0.232216855629 . . . . . . . 26710 6 53 . . 1 1 287 287 LEU N N 15 23.807348211 0.496200112822 . . . . . . . 26710 6 54 . . 1 1 289 289 TRP N N 15 21.8461446924 0.293546950522 . . . . . . . 26710 6 55 . . 1 1 290 290 GLU N N 15 19.0660648015 0.170230250034 . . . . . . . 26710 6 stop_ save_ save_600.18_MHz_R1_relaxation_top_1 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 600.18_MHz_R1_relaxation_top_1 _Auto_relaxation_list.Entry_ID 26710 _Auto_relaxation_list.ID 7 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 600.18 _Auto_relaxation_list.Exact_field_strength 600.18 _Auto_relaxation_list.Common_relaxation_type_name R1 _Auto_relaxation_list.Relaxation_coherence_type Iz _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . 1 $sample_1 . 26710 7 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 17 17 SER N N 15 0.793208033072 0.0178624459735 . . . . . . . 26710 7 2 . . 1 1 19 19 SER N N 15 0.591876371967 0.0207011243598 . . . . . . . 26710 7 3 . . 1 1 20 20 MET N N 15 0.615112087283 0.0310762588737 . . . . . . . 26710 7 4 . . 1 1 22 22 TYR N N 15 0.64719912835 0.0258941662283 . . . . . . . 26710 7 5 . . 1 1 25 25 THR N N 15 0.691778282773 0.0448721797726 . . . . . . . 26710 7 6 . . 1 1 27 27 VAL N N 15 0.731428106855 0.01660838028 . . . . . . . 26710 7 7 . . 1 1 28 28 SER N N 15 0.637795352242 0.0279203168808 . . . . . . . 26710 7 8 . . 1 1 29 29 ARG N N 15 0.718570431098 0.0206408887685 . . . . . . . 26710 7 9 . . 1 1 31 31 GLY N N 15 0.5899178738 0.177232361229 . . . . . . . 26710 7 10 . . 1 1 34 34 GLU N N 15 0.764073585666 0.0381518297812 . . . . . . . 26710 7 11 . . 1 1 36 36 ARG N N 15 0.697662323585 0.0351164964896 . . . . . . . 26710 7 12 . . 1 1 37 37 PHE N N 15 0.658994343142 0.0328357101429 . . . . . . . 26710 7 13 . . 1 1 38 38 ILE N N 15 0.680690011527 0.0179829572532 . . . . . . . 26710 7 14 . . 1 1 39 39 THR N N 15 0.710129488563 0.0298911634572 . . . . . . . 26710 7 15 . . 1 1 40 40 VAL N N 15 0.670277959674 0.0360005848165 . . . . . . . 26710 7 16 . . 1 1 41 41 GLY N N 15 0.667138777764 0.0378351989025 . . . . . . . 26710 7 17 . . 1 1 42 42 TYR N N 15 0.593115765623 0.0199520048145 . . . . . . . 26710 7 18 . . 1 1 44 44 ASP N N 15 0.603208070426 0.0193537573775 . . . . . . . 26710 7 19 . . 1 1 45 45 ASP N N 15 0.605074240997 0.02380636149 . . . . . . . 26710 7 20 . . 1 1 46 46 THR N N 15 0.644876650295 0.0272650001088 . . . . . . . 26710 7 21 . . 1 1 47 47 LEU N N 15 0.602611376148 0.0172929509497 . . . . . . . 26710 7 22 . . 1 1 49 49 VAL N N 15 0.639284341061 0.0577403716687 . . . . . . . 26710 7 23 . . 1 1 50 50 ARG N N 15 0.650934063216 0.0264563439635 . . . . . . . 26710 7 24 . . 1 1 51 51 PHE N N 15 0.646088623957 0.0314669493873 . . . . . . . 26710 7 25 . . 1 1 52 52 ASP N N 15 0.665570730321 0.0241744766127 . . . . . . . 26710 7 26 . . 1 1 53 53 SER N N 15 0.644654634776 0.0238582206642 . . . . . . . 26710 7 27 . . 1 1 54 54 ASP N N 15 0.65348579946 0.0217205293726 . . . . . . . 26710 7 28 . . 1 1 55 55 ALA N N 15 0.737019457472 0.0148622676756 . . . . . . . 26710 7 29 . . 1 1 56 56 ALA N N 15 0.556432735859 0.06019323127 . . . . . . . 26710 7 30 . . 1 1 57 57 SER N N 15 0.666208263354 0.062483657926 . . . . . . . 26710 7 31 . . 1 1 63 63 ARG N N 15 0.628627396611 0.0377684176912 . . . . . . . 26710 7 32 . . 1 1 64 64 ALA N N 15 0.554527069123 0.0361673208018 . . . . . . . 26710 7 33 . . 1 1 66 66 TRP N N 15 0.662386918915 0.0328641769469 . . . . . . . 26710 7 34 . . 1 1 67 67 ILE N N 15 0.619515513644 0.0419544749265 . . . . . . . 26710 7 35 . . 1 1 70 70 GLU N N 15 0.653805728772 0.0183270396949 . . . . . . . 26710 7 36 . . 1 1 71 71 GLY N N 15 0.750213230652 0.0197698276313 . . . . . . . 26710 7 37 . . 1 1 73 73 GLU N N 15 0.652165765563 0.0414401810109 . . . . . . . 26710 7 38 . . 1 1 74 74 TYR N N 15 0.673669690726 0.0262415455148 . . . . . . . 26710 7 39 . . 1 1 75 75 TRP N N 15 0.647581833408 0.0358020811333 . . . . . . . 26710 7 40 . . 1 1 77 77 ARG N N 15 0.630057060393 0.0439895287247 . . . . . . . 26710 7 41 . . 1 1 78 78 GLU N N 15 0.642855124816 0.0411119466114 . . . . . . . 26710 7 42 . . 1 1 80 80 GLN N N 15 0.639388905615 0.0403031817656 . . . . . . . 26710 7 43 . . 1 1 87 87 GLN N N 15 0.60871543439 0.176090216409 . . . . . . . 26710 7 44 . . 1 1 89 89 ASP N N 15 0.674202202358 0.057317647347 . . . . . . . 26710 7 45 . . 1 1 90 90 ARG N N 15 0.665243726227 0.0362742956512 . . . . . . . 26710 7 46 . . 1 1 91 91 GLU N N 15 0.679726398122 0.0492722228942 . . . . . . . 26710 7 47 . . 1 1 92 92 ASP N N 15 0.675456678115 0.065269604692 . . . . . . . 26710 7 48 . . 1 1 94 94 ARG N N 15 0.637199056803 0.0390157350835 . . . . . . . 26710 7 49 . . 1 1 97 97 LEU N N 15 0.668779381347 0.0420739416525 . . . . . . . 26710 7 50 . . 1 1 98 98 ARG N N 15 0.632201812625 0.0308541007406 . . . . . . . 26710 7 51 . . 1 1 99 99 TYR N N 15 0.663004200843 0.0366918040505 . . . . . . . 26710 7 52 . . 1 1 100 100 TYR N N 15 0.632010522221 0.0271116585036 . . . . . . . 26710 7 53 . . 1 1 106 106 GLY N N 15 0.590967418157 0.145956175141 . . . . . . . 26710 7 54 . . 1 1 109 109 THR N N 15 0.6362842509 0.030672635662 . . . . . . . 26710 7 55 . . 1 1 110 110 LEU N N 15 0.628439447212 0.0398713876882 . . . . . . . 26710 7 56 . . 1 1 112 112 ASN N N 15 0.579382523313 0.0478412633477 . . . . . . . 26710 7 57 . . 1 1 113 113 MET N N 15 0.59702715874 0.0574916276963 . . . . . . . 26710 7 58 . . 1 1 115 115 GLY N N 15 0.601652600224 0.0378155217823 . . . . . . . 26710 7 59 . . 1 1 116 116 CYS N N 15 0.650059664396 0.0366057471212 . . . . . . . 26710 7 60 . . 1 1 117 117 ASP N N 15 0.592360493076 0.0265782384026 . . . . . . . 26710 7 61 . . 1 1 118 118 VAL N N 15 0.627901307173 0.0238217355454 . . . . . . . 26710 7 62 . . 1 1 119 119 GLY N N 15 0.578278351124 0.0195375329442 . . . . . . . 26710 7 63 . . 1 1 125 125 LEU N N 15 0.655453868494 0.0382951375287 . . . . . . . 26710 7 64 . . 1 1 126 126 ARG N N 15 0.622881705908 0.0394285499737 . . . . . . . 26710 7 65 . . 1 1 127 127 GLY N N 15 0.644491038999 0.0286945141681 . . . . . . . 26710 7 66 . . 1 1 130 130 GLN N N 15 0.677017706499 0.0355378613449 . . . . . . . 26710 7 67 . . 1 1 134 134 ASP N N 15 0.632603606354 0.0454375898703 . . . . . . . 26710 7 68 . . 1 1 135 135 GLY N N 15 0.591983225266 0.0897184376472 . . . . . . . 26710 7 69 . . 1 1 136 136 LYS N N 15 0.633714367749 0.0300302250392 . . . . . . . 26710 7 70 . . 1 1 139 139 ILE N N 15 0.658278177242 0.0428943911303 . . . . . . . 26710 7 71 . . 1 1 140 140 ALA N N 15 0.67886155672 0.0470762620595 . . . . . . . 26710 7 72 . . 1 1 141 141 LEU N N 15 0.681696857895 0.0338485922305 . . . . . . . 26710 7 73 . . 1 1 144 144 ASP N N 15 0.719402558192 0.0218076211826 . . . . . . . 26710 7 74 . . 1 1 145 145 LEU N N 15 0.650691179352 0.0257545539866 . . . . . . . 26710 7 75 . . 1 1 147 147 SER N N 15 0.525936003214 0.0302558531544 . . . . . . . 26710 7 76 . . 1 1 148 148 TRP N N 15 0.591792785632 0.0142303937585 . . . . . . . 26710 7 77 . . 1 1 149 149 THR N N 15 0.621494135341 0.021617534863 . . . . . . . 26710 7 78 . . 1 1 150 150 ALA N N 15 0.692448158778 0.0228220196088 . . . . . . . 26710 7 79 . . 1 1 151 151 ALA N N 15 0.777449040372 0.0316624324978 . . . . . . . 26710 7 80 . . 1 1 152 152 ASP N N 15 0.672825067233 0.0198419779817 . . . . . . . 26710 7 81 . . 1 1 153 153 THR N N 15 0.569046427676 0.100953495269 . . . . . . . 26710 7 82 . . 1 1 154 154 ALA N N 15 0.646859002348 0.0290395766948 . . . . . . . 26710 7 83 . . 1 1 156 156 GLN N N 15 0.621765225057 0.0382523637289 . . . . . . . 26710 7 84 . . 1 1 158 158 THR N N 15 0.523401418694 0.0530483833381 . . . . . . . 26710 7 85 . . 1 1 160 160 ARG N N 15 0.671945096021 0.0402226883509 . . . . . . . 26710 7 86 . . 1 1 161 161 LYS N N 15 0.624650431702 0.0264981745758 . . . . . . . 26710 7 87 . . 1 1 163 163 GLU N N 15 0.699561167259 0.0461268391614 . . . . . . . 26710 7 88 . . 1 1 165 165 ALA N N 15 0.651015013991 0.0415212385596 . . . . . . . 26710 7 89 . . 1 1 166 166 ARG N N 15 0.70899029963 0.0347050759788 . . . . . . . 26710 7 90 . . 1 1 167 167 VAL N N 15 0.639964495887 0.0630176856552 . . . . . . . 26710 7 91 . . 1 1 168 168 ALA N N 15 0.686160711335 0.0562373643323 . . . . . . . 26710 7 92 . . 1 1 169 169 GLU N N 15 0.606043067752 0.0376304817107 . . . . . . . 26710 7 93 . . 1 1 172 172 ARG N N 15 0.573257664468 0.250960645757 . . . . . . . 26710 7 94 . . 1 1 173 173 ALA N N 15 0.65986264837 0.0583027483768 . . . . . . . 26710 7 95 . . 1 1 174 174 TYR N N 15 0.585850581428 0.0318607667858 . . . . . . . 26710 7 96 . . 1 1 176 176 GLU N N 15 0.586670263261 0.0522739440554 . . . . . . . 26710 7 97 . . 1 1 177 177 GLY N N 15 0.616837880368 0.0236589819611 . . . . . . . 26710 7 98 . . 1 1 178 178 GLU N N 15 0.601789527903 0.0255153705416 . . . . . . . 26710 7 99 . . 1 1 180 180 VAL N N 15 0.560139540735 0.0318187571734 . . . . . . . 26710 7 100 . . 1 1 181 181 GLU N N 15 0.59566684661 0.0316982606785 . . . . . . . 26710 7 101 . . 1 1 183 183 LEU N N 15 0.648659416183 0.0321434359777 . . . . . . . 26710 7 102 . . 1 1 184 184 ARG N N 15 0.585885624149 0.0385077224332 . . . . . . . 26710 7 103 . . 1 1 190 190 GLY N N 15 0.618986167163 0.0486601434698 . . . . . . . 26710 7 104 . . 1 1 191 191 LYS N N 15 0.686293536956 0.0256880860631 . . . . . . . 26710 7 105 . . 1 1 192 192 GLU N N 15 0.764738986545 0.0354015516407 . . . . . . . 26710 7 106 . . 1 1 193 193 THR N N 15 0.631509521883 0.0517713178546 . . . . . . . 26710 7 107 . . 1 1 194 194 LEU N N 15 0.679641720317 0.0460115765996 . . . . . . . 26710 7 stop_ save_ save_600.18_MHz_R2_relaxation_top_2 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 600.18_MHz_R2_relaxation_top_2 _Auto_relaxation_list.Entry_ID 26710 _Auto_relaxation_list.ID 8 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 600.18 _Auto_relaxation_list.Exact_field_strength 600.18 _Auto_relaxation_list.Common_relaxation_type_name R2 _Auto_relaxation_list.Relaxation_coherence_type I+ _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . 1 $sample_1 . 26710 8 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 17 17 SER N N 15 19.0692844848 0.234007906044 . . . . . . . 26710 8 2 . . 1 1 19 19 SER N N 15 25.0783696574 0.485703433162 . . . . . . . 26710 8 3 . . 1 1 20 20 MET N N 15 25.5240990087 0.654034208361 . . . . . . . 26710 8 4 . . 1 1 22 22 TYR N N 15 24.3243200483 0.634421945072 . . . . . . . 26710 8 5 . . 1 1 25 25 THR N N 15 25.1421331417 0.80728974138 . . . . . . . 26710 8 6 . . 1 1 27 27 VAL N N 15 20.6522787458 0.219442995084 . . . . . . . 26710 8 7 . . 1 1 28 28 SER N N 15 26.1723518413 0.546335101044 . . . . . . . 26710 8 8 . . 1 1 29 29 ARG N N 15 24.4272044213 0.362341300883 . . . . . . . 26710 8 9 . . 1 1 31 31 GLY N N 15 9.56835314363 1.31070042451 . . . . . . . 26710 8 10 . . 1 1 34 34 GLU N N 15 18.7754206602 0.396436914077 . . . . . . . 26710 8 11 . . 1 1 36 36 ARG N N 15 24.2049632663 0.674428565175 . . . . . . . 26710 8 12 . . 1 1 37 37 PHE N N 15 23.3749749822 0.545588019397 . . . . . . . 26710 8 13 . . 1 1 38 38 ILE N N 15 24.5051067843 0.312143887854 . . . . . . . 26710 8 14 . . 1 1 39 39 THR N N 15 28.8036866264 0.793671226195 . . . . . . . 26710 8 15 . . 1 1 40 40 VAL N N 15 23.715383219 0.678531075443 . . . . . . . 26710 8 16 . . 1 1 41 41 GLY N N 15 22.7351965932 0.857412100522 . . . . . . . 26710 8 17 . . 1 1 42 42 TYR N N 15 26.045293179 0.546795946159 . . . . . . . 26710 8 18 . . 1 1 44 44 ASP N N 15 27.2279271112 0.466429796698 . . . . . . . 26710 8 19 . . 1 1 45 45 ASP N N 15 25.5637809978 0.488216292837 . . . . . . . 26710 8 20 . . 1 1 46 46 THR N N 15 26.8862192084 0.603928291243 . . . . . . . 26710 8 21 . . 1 1 47 47 LEU N N 15 27.1862425207 0.441926263291 . . . . . . . 26710 8 22 . . 1 1 49 49 VAL N N 15 28.4222713933 1.8618344379 . . . . . . . 26710 8 23 . . 1 1 50 50 ARG N N 15 22.791423223 0.617841931991 . . . . . . . 26710 8 24 . . 1 1 51 51 PHE N N 15 29.7124714643 0.847460739614 . . . . . . . 26710 8 25 . . 1 1 52 52 ASP N N 15 23.3543556661 0.439336901724 . . . . . . . 26710 8 26 . . 1 1 53 53 SER N N 15 25.636227621 0.466566256983 . . . . . . . 26710 8 27 . . 1 1 54 54 ASP N N 15 25.9422239445 0.456425731811 . . . . . . . 26710 8 28 . . 1 1 55 55 ALA N N 15 19.1572079484 0.179303455007 . . . . . . . 26710 8 29 . . 1 1 56 56 ALA N N 15 19.2102355823 0.850264825409 . . . . . . . 26710 8 30 . . 1 1 57 57 SER N N 15 17.7942293878 0.694001245303 . . . . . . . 26710 8 31 . . 1 1 63 63 ARG N N 15 24.8269244029 0.974953463585 . . . . . . . 26710 8 32 . . 1 1 64 64 ALA N N 15 26.5619086685 1.05327806111 . . . . . . . 26710 8 33 . . 1 1 66 66 TRP N N 15 26.5496552928 0.745145410806 . . . . . . . 26710 8 34 . . 1 1 67 67 ILE N N 15 29.2989346328 1.24215681592 . . . . . . . 26710 8 35 . . 1 1 70 70 GLU N N 15 29.2805048839 0.523556135374 . . . . . . . 26710 8 36 . . 1 1 71 71 GLY N N 15 19.7407924859 0.269960863154 . . . . . . . 26710 8 37 . . 1 1 73 73 GLU N N 15 24.65767045 0.688652592107 . . . . . . . 26710 8 38 . . 1 1 74 74 TYR N N 15 25.0928943869 0.499040582014 . . . . . . . 26710 8 39 . . 1 1 75 75 TRP N N 15 27.0314051812 0.74803411294 . . . . . . . 26710 8 40 . . 1 1 77 77 ARG N N 15 29.0623335737 1.16572807222 . . . . . . . 26710 8 41 . . 1 1 78 78 GLU N N 15 26.9975447682 0.980004612472 . . . . . . . 26710 8 42 . . 1 1 80 80 GLN N N 15 19.4179591292 0.61005010152 . . . . . . . 26710 8 43 . . 1 1 87 87 GLN N N 15 33.0928000931 210.756161714 . . . . . . . 26710 8 44 . . 1 1 89 89 ASP N N 15 28.7354999121 1.2755841866 . . . . . . . 26710 8 45 . . 1 1 90 90 ARG N N 15 24.4635997059 0.751478776981 . . . . . . . 26710 8 46 . . 1 1 91 91 GLU N N 15 25.4719285635 1.04845249469 . . . . . . . 26710 8 47 . . 1 1 92 92 ASP N N 15 24.5588704094 1.10506237466 . . . . . . . 26710 8 48 . . 1 1 94 94 ARG N N 15 23.9168046722 0.814235404852 . . . . . . . 26710 8 49 . . 1 1 97 97 LEU N N 15 25.6183599139 0.942766835197 . . . . . . . 26710 8 50 . . 1 1 98 98 ARG N N 15 24.4842489291 0.678304505241 . . . . . . . 26710 8 51 . . 1 1 99 99 TYR N N 15 23.6977495179 0.728753132021 . . . . . . . 26710 8 52 . . 1 1 100 100 TYR N N 15 23.1038300767 0.581153235469 . . . . . . . 26710 8 53 . . 1 1 106 106 GLY N N 15 15.8673097515 1.33252039807 . . . . . . . 26710 8 54 . . 1 1 109 109 THR N N 15 22.5842386596 0.547359988816 . . . . . . . 26710 8 55 . . 1 1 110 110 LEU N N 15 22.0537968812 0.69898498673 . . . . . . . 26710 8 56 . . 1 1 112 112 ASN N N 15 26.2309208268 0.986047238207 . . . . . . . 26710 8 57 . . 1 1 113 113 MET N N 15 26.169751252 1.28565037362 . . . . . . . 26710 8 58 . . 1 1 115 115 GLY N N 15 28.185787258 1.06743729307 . . . . . . . 26710 8 59 . . 1 1 116 116 CYS N N 15 23.6377254626 0.67371520939 . . . . . . . 26710 8 60 . . 1 1 117 117 ASP N N 15 26.8493004336 0.718925773765 . . . . . . . 26710 8 61 . . 1 1 118 118 VAL N N 15 25.2763420604 0.65768974281 . . . . . . . 26710 8 62 . . 1 1 119 119 GLY N N 15 26.0920807842 0.539911525482 . . . . . . . 26710 8 63 . . 1 1 125 125 LEU N N 15 21.2729029068 0.849506475318 . . . . . . . 26710 8 64 . . 1 1 126 126 ARG N N 15 20.6908728339 0.836727338454 . . . . . . . 26710 8 65 . . 1 1 127 127 GLY N N 15 22.712786255 0.56429387013 . . . . . . . 26710 8 66 . . 1 1 130 130 GLN N N 15 26.6727290666 0.77412407836 . . . . . . . 26710 8 67 . . 1 1 134 134 ASP N N 15 23.9963880974 0.824201495224 . . . . . . . 26710 8 68 . . 1 1 135 135 GLY N N 15 21.531698172 1.88428046484 . . . . . . . 26710 8 69 . . 1 1 136 136 LYS N N 15 27.7858406741 0.741141041584 . . . . . . . 26710 8 70 . . 1 1 139 139 ILE N N 15 25.5858835289 0.955195259158 . . . . . . . 26710 8 71 . . 1 1 140 140 ALA N N 15 27.1569118768 0.956160582912 . . . . . . . 26710 8 72 . . 1 1 141 141 LEU N N 15 24.1882556863 0.660144052284 . . . . . . . 26710 8 73 . . 1 1 144 144 ASP N N 15 24.1406630676 0.346206635088 . . . . . . . 26710 8 74 . . 1 1 145 145 LEU N N 15 27.6579342478 0.570765243048 . . . . . . . 26710 8 75 . . 1 1 147 147 SER N N 15 22.7602598898 0.533821341087 . . . . . . . 26710 8 76 . . 1 1 148 148 TRP N N 15 25.4474021752 0.318267579514 . . . . . . . 26710 8 77 . . 1 1 149 149 THR N N 15 23.7501919376 0.403980600434 . . . . . . . 26710 8 78 . . 1 1 150 150 ALA N N 15 22.987159867 0.358351484205 . . . . . . . 26710 8 79 . . 1 1 151 151 ALA N N 15 22.1329190104 0.474171706438 . . . . . . . 26710 8 80 . . 1 1 152 152 ASP N N 15 20.9851798466 0.362598967096 . . . . . . . 26710 8 81 . . 1 1 153 153 THR N N 15 28.8411120588 2.39267032343 . . . . . . . 26710 8 82 . . 1 1 154 154 ALA N N 15 26.1378172788 0.617552571053 . . . . . . . 26710 8 83 . . 1 1 156 156 GLN N N 15 25.5404609043 0.875547544214 . . . . . . . 26710 8 84 . . 1 1 158 158 THR N N 15 25.8471520815 1.3572863448 . . . . . . . 26710 8 85 . . 1 1 160 160 ARG N N 15 28.212656148 1.08474219231 . . . . . . . 26710 8 86 . . 1 1 161 161 LYS N N 15 27.4683106198 0.881393237893 . . . . . . . 26710 8 87 . . 1 1 163 163 GLU N N 15 26.380139635 1.14431948733 . . . . . . . 26710 8 88 . . 1 1 165 165 ALA N N 15 26.1649445675 1.01433102545 . . . . . . . 26710 8 89 . . 1 1 166 166 ARG N N 15 24.493213055 0.767126373971 . . . . . . . 26710 8 90 . . 1 1 167 167 VAL N N 15 29.2865203987 1.77170570221 . . . . . . . 26710 8 91 . . 1 1 168 168 ALA N N 15 27.0070438843 1.30490751507 . . . . . . . 26710 8 92 . . 1 1 169 169 GLU N N 15 25.4907661643 0.816310737237 . . . . . . . 26710 8 93 . . 1 1 172 172 ARG N N 15 39.5300179686 10.0025068617 . . . . . . . 26710 8 94 . . 1 1 173 173 ALA N N 15 28.8105644698 1.32355611098 . . . . . . . 26710 8 95 . . 1 1 174 174 TYR N N 15 25.4035800161 0.674844186387 . . . . . . . 26710 8 96 . . 1 1 176 176 GLU N N 15 25.6660952859 1.42131244036 . . . . . . . 26710 8 97 . . 1 1 177 177 GLY N N 15 21.93984706 0.587714232243 . . . . . . . 26710 8 98 . . 1 1 178 178 GLU N N 15 23.0283517829 0.538306119513 . . . . . . . 26710 8 99 . . 1 1 180 180 VAL N N 15 26.5356718308 1.03069558368 . . . . . . . 26710 8 100 . . 1 1 181 181 GLU N N 15 29.9688894033 1.23475785216 . . . . . . . 26710 8 101 . . 1 1 183 183 LEU N N 15 28.9248176046 1.09264834669 . . . . . . . 26710 8 102 . . 1 1 184 184 ARG N N 15 29.2951127935 1.29016416725 . . . . . . . 26710 8 103 . . 1 1 190 190 GLY N N 15 23.4997300905 1.12230671691 . . . . . . . 26710 8 104 . . 1 1 191 191 LYS N N 15 27.4670644141 0.654869761643 . . . . . . . 26710 8 105 . . 1 1 192 192 GLU N N 15 25.1331785725 0.516795436467 . . . . . . . 26710 8 106 . . 1 1 193 193 THR N N 15 31.7287866182 1.2648740805 . . . . . . . 26710 8 107 . . 1 1 194 194 LEU N N 15 23.5668285975 0.812591288566 . . . . . . . 26710 8 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 26710 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Bond_length_val: 1.02e-10.' _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 '600.18 MHz R1' 1 $sample_1 . 26710 1 2 '600.18 MHz R2' . . . 26710 1 3 '600.18 MHz steady-state NOE' . . . 26710 1 4 '750.46 MHz R1' . . . 26710 1 5 '750.46 MHz R2' . . . 26710 1 6 '750.46 MHz steady-state NOE' . . . 26710 1 7 '600.18 MHz R1' 1 $sample_1 . 26710 1 8 '600.18 MHz R2' . . . 26710 1 9 '600.18 MHz steady-state NOE' . . . 26710 1 10 '750.46 MHz R1' . . . 26710 1 11 '750.46 MHz R2' . . . 26710 1 12 '750.46 MHz steady-state NOE' . . . 26710 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 1 $relax . . 26710 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 . 2 2 3 3 GLN N N 15 0.595358842411 0.0406595967542 . . . . 9.3463234053e-10 1.22020497746e-10 . . . 'S2f, S2, ts' 0.801326791994 0.0417125508481 0.742966350757 0.0338886564612 . . . . . . . . . 26710 1 2 . 2 2 8 8 ILE N N 15 0.746010804474 0.0569173296274 1.12634241017e-11 2.14402049563e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 3 . 2 2 9 9 GLN N N 15 0.790627328939 0.0599335502035 . . . . . . 1.32712027024e-37 7.55123199623e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 1 4 . 2 2 12 12 SER N N 15 0.830742701206 0.0418853410172 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 5 . 2 2 13 13 ARG N N 15 0.889490420599 0.0572295192201 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 6 . 2 2 14 14 HIS N N 15 0.857078994067 0.0314377684597 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 7 . 2 2 17 17 GLU N N 15 0.820732246013 0.0528877302725 1.5235471587e-11 1.06996407996e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 8 . 2 2 19 19 GLY N N 15 0.87101007633 0.0584467387171 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 9 . 2 2 20 20 LYS N N 15 0.899467126259 0.0216129382254 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 10 . 2 2 23 23 PHE N N 15 0.831084301477 0.0338365327838 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 11 . 2 2 25 25 ASN N N 15 0.811848030187 0.0692021339167 . . . . . . 1.55243930858e-37 9.59574379545e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 1 12 . 2 2 26 26 CYS N N 15 0.807586674687 0.0439429800879 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 13 . 2 2 27 27 TYR N N 15 0.851802303293 0.0684599285785 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 14 . 2 2 29 29 SER N N 15 0.914766673102 0.0487304912615 2.51041492438e-11 7.18139520589e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 15 . 2 2 30 30 GLY N N 15 0.85860009656 0.0477033507092 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 16 . 2 2 31 31 PHE N N 15 0.897457061216 0.0374454642409 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 17 . 2 2 34 34 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 18 . 2 2 35 35 ASP N N 15 0.852471205305 0.0205633228246 . . . . 3.53435308008e-10 2.02942265553e-10 . . . 'S2f, S2, ts' 0.881390020956 0.0459410009762 0.967189535889 0.0361699782264 . . . . . . . . . 26710 1 19 . 2 2 37 37 GLU N N 15 0.829281785872 0.039408243663 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 20 . 2 2 38 38 VAL N N 15 0.796959472485 0.0264460588849 8.18723719116e-12 4.37896752367e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 21 . 2 2 40 40 LEU N N 15 0.775676319291 0.0381213586057 9.15195038223e-12 5.5171641498e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 22 . 2 2 41 41 LEU N N 15 0.894749416082 0.0531000370737 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 23 . 2 2 43 43 ASN N N 15 0.862051242119 0.0464258405219 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 24 . 2 2 44 44 GLY N N 15 0.804434297667 0.0631647162596 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 25 . 2 2 45 45 GLU N N 15 0.859314970515 0.0224090726805 1.25847757202e-11 5.43572246875e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 26 . 2 2 46 46 ARG N N 15 0.86290722255 0.061979255692 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 27 . 2 2 47 47 ILE N N 15 0.873674304685 0.0550406297399 1.82099447697e-11 1.23847353315e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 28 . 2 2 48 48 GLU N N 15 0.841929713262 0.0468344449865 2.90817494748e-11 3.74367579385e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 29 . 2 2 49 49 LYS N N 15 0.735962037829 0.0255656389368 2.60545496291e-11 4.69301582489e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 30 . 2 2 51 51 GLU N N 15 0.80228694426 0.0319428751873 2.11398743264e-11 6.75510394081e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 31 . 2 2 52 52 HIS N N 15 0.836550970584 0.0200151920199 1.0670278449e-11 4.01465827426e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 32 . 2 2 53 53 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 33 . 2 2 54 54 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 34 . 2 2 55 55 LEU N N 15 0.783798278177 0.057875353872 . . . . 7.75506577486e-10 3.10908711509e-10 . . . 'S2f, S2, ts' 0.848112615283 0.0580779861516 0.924167691947 0.0305580192353 . . . . . . . . . 26710 1 35 . 2 2 56 56 SER N N 15 0.911932590634 0.0500082500661 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 36 . 2 2 57 57 PHE N N 15 0.824371336945 0.0351075991837 1.67187907621e-11 8.05616877977e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 37 . 2 2 58 58 SER N N 15 0.867558960177 0.0527012035329 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 38 . 2 2 60 60 ASP N N 15 0.91014466194 0.0328179236997 2.4875987202e-11 7.90838748061e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 39 . 2 2 61 61 TRP N N 15 0.904589288482 0.0440881552911 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 40 . 2 2 61 61 TRP NE1 N 15 0.731374649651 0.0239280259173 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 41 . 2 2 62 62 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 42 . 2 2 63 63 PHE N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 43 . 2 2 64 64 TYR N N 15 0.841252433672 0.0462217105441 1.0241452139e-11 2.44336494344e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 44 . 2 2 65 65 LEU N N 15 0.866065518466 0.0448884429751 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 45 . 2 2 66 66 LEU N N 15 0.85449917299 0.0636768054052 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 46 . 2 2 67 67 TYR N N 15 0.846510017029 0.0591162653468 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 47 . 2 2 68 68 TYR N N 15 0.820710873714 0.0464615661229 1.05180590774e-11 6.63931147677e-12 . . . . 1.01158294889e-37 6.09080597973e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 1 48 . 2 2 69 69 THR N N 15 0.870879106556 0.0412473835438 1.49931933794e-11 2.25842095431e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 49 . 2 2 70 70 GLU N N 15 0.838693058356 0.0232857571462 2.22940712291e-11 5.87174735219e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 50 . 2 2 71 71 PHE N N 15 0.876428208643 0.0383845564843 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 51 . 2 2 72 72 THR N N 15 0.866779133978 0.0375587212785 2.06883214997e-11 1.53496176232e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 52 . 2 2 74 74 THR N N 15 0.811972173622 0.02988135418 1.41067979547e-11 5.74325912653e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 53 . 2 2 75 75 GLU N N 15 0.702094609014 0.134496131622 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 54 . 2 2 76 76 LYS N N 15 0.672755915538 0.0357524670035 . . . . 6.3163295689e-10 1.29633369348e-10 . . . 'S2f, S2, ts' 0.77890682504 0.0336972181694 0.863718090419 0.0250029835881 . . . . . . . . . 26710 1 55 . 2 2 77 77 ASP N N 15 0.798563782409 0.0280410862844 . . . . 6.5252135115e-10 2.32797963066e-10 . . . 'S2f, S2, ts' 0.843206218872 0.0373239256639 0.947056324463 0.0237241865416 . . . . . . . . . 26710 1 56 . 2 2 79 79 TYR N N 15 0.824705331823 0.0373760602248 1.41798987161e-11 7.92924827829e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 57 . 2 2 81 81 CYS N N 15 0.842215316829 0.0418181318043 1.17307017539e-11 1.31380313871e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 58 . 2 2 82 82 ARG N N 15 0.856510638856 0.0434745054997 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 59 . 2 2 83 83 VAL N N 15 0.842385581596 0.0521559426913 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 60 . 2 2 84 84 ASN N N 15 0.863250114488 0.0448136475146 2.23150567298e-11 5.24029062795e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 61 . 2 2 85 85 HIS N N 15 0.81899815006 0.0259925772576 9.99639408321e-12 4.59969295721e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 62 . 2 2 86 86 VAL N N 15 0.880623237289 0.0636278612922 2.82922410708e-11 2.28126217951e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 63 . 2 2 87 87 THR N N 15 0.901174919294 0.0417261863215 4.09141514867e-11 1.23062911666e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 64 . 2 2 88 88 LEU N N 15 0.886470287536 0.030700876293 1.92085682541e-11 4.03486021746e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 65 . 2 2 90 90 GLN N N 15 0.774726048606 0.0149056768013 . . . . 7.67060339717e-10 9.85738378725e-11 . . . 'S2f, S2, ts' 0.83242035367 0.013239155322 0.930690900565 0.00772331097892 . . . . . . . . . 26710 1 66 . 2 2 92 92 LYS N N 15 0.818953569992 0.0381518493908 2.01463916503e-11 7.86628343282e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 67 . 2 2 93 93 ILE N N 15 0.806235378496 0.0264041822337 1.46392528839e-11 5.07299057225e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 68 . 2 2 94 94 VAL N N 15 0.844543596233 0.0507695201169 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 69 . 2 2 95 95 LYS N N 15 0.770448821484 0.0443740539238 . . . . 1.78006383384e-09 2.64214571612e-09 . . . 'S2f, S2, ts' 0.803002769658 0.0485325140145 0.959459731144 0.0326231504517 . . . . . . . . . 26710 1 70 . 2 2 96 96 TRP N N 15 0.868334686743 0.0501128829658 1.87775358694e-11 9.10132226026e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 71 . 2 2 96 96 TRP NE1 N 15 0.716976502222 0.0314290565197 7.62154887721e-12 3.34598481868e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 72 . 2 2 97 97 ASP N N 15 0.863688444357 0.047896859677 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 73 . 2 2 98 98 ARG N N 15 0.866809128179 0.060615189086 2.52919259511e-11 1.70281284007e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 74 . 2 2 99 99 ASP N N 15 0.843935596322 0.0311661140734 . . . . 1.30287544146e-09 1.91376395005e-09 . . . 'S2f, S2, ts' 0.872697045697 0.0312352850449 0.967043031123 0.019062805339 . . . . . . . . . 26710 1 75 . 2 2 100 100 MET N N 15 0.815214652288 0.0277236940097 . . . . 6.81025660798e-10 2.19587994654e-10 . . . 'S2f, S2, ts' 0.861665827385 0.0343773359721 0.94609142707 0.0196404562141 . . . . . . . . . 26710 1 stop_ save_ save_order_parameter_list_2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_2 _Order_parameter_list.Entry_ID 26710 _Order_parameter_list.ID 2 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Bond_length_val: 1.02e-10.' _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 '600.18 MHz R1' 1 $sample_1 . 26710 2 2 '600.18 MHz R2' . . . 26710 2 3 '600.18 MHz steady-state NOE' . . . 26710 2 4 '750.46 MHz R1' . . . 26710 2 5 '750.46 MHz R2' . . . 26710 2 6 '750.46 MHz steady-state NOE' . . . 26710 2 7 '600.18 MHz R1' 1 $sample_1 . 26710 2 8 '600.18 MHz R2' . . . 26710 2 9 '600.18 MHz steady-state NOE' . . . 26710 2 10 '750.46 MHz R1' . . . 26710 2 11 '750.46 MHz R2' . . . 26710 2 12 '750.46 MHz steady-state NOE' . . . 26710 2 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 1 $relax . . 26710 2 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 1 203 203 HIS N N 15 0.745264368003 0.0179181076854 9.31503531165e-12 2.20605274914e-12 . . . . 2.8391139687e-38 1.80376488388e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 2 . 1 1 206 206 HIS N N 15 0.861720835674 0.00810439663605 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 3 . 1 1 209 209 ILE N N 15 0.75186579262 0.0201437178655 1.06851369317e-11 3.07744522797e-12 . . . . 7.63119831894e-38 1.67302595529e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 4 . 1 1 210 210 SER N N 15 0.67207383468 0.0101115654192 . . . . 1.26611215418e-09 1.57313654367e-10 . . . 'S2f, S2, ts' 0.789442148723 0.0110280408092 0.851327530164 0.00953604553756 . . . . . . . . . 26710 2 5 . 1 1 212 212 HIS N N 15 0.831491485469 0.0468210190643 2.43520326226e-11 4.45730567093e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 6 . 1 1 213 213 GLU N N 15 0.774752477779 0.0200884327378 1.18396155764e-11 3.14462736908e-12 . . . . 9.85612649526e-38 1.70383812863e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 7 . 1 1 214 214 ALA N N 15 0.819414761898 0.0144872935005 . . . . . . 4.30070221315e-38 1.40412463514e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 8 . 1 1 215 215 THR N N 15 0.751411715631 0.0162431229089 5.08921072782e-12 2.10312688057e-12 . . . . 9.44089058121e-38 1.46650505171e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 9 . 1 1 218 218 CYS N N 15 0.855754515056 0.0173163174426 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 10 . 1 1 219 219 TRP N N 15 0.764630594083 0.0190859811525 . . . . . . 1.56311706118e-37 2.02574237947e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 11 . 1 1 222 222 GLY N N 15 0.753659065785 0.00919528242164 1.03645978185e-11 2.31691447806e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 12 . 1 1 224 224 TYR N N 15 0.757894257567 0.0176293585002 . . . . . . 1.6914202982e-37 1.97241740492e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 13 . 1 1 227 227 GLU N N 15 0.722375551649 0.01118799305 6.81545556642e-12 1.53224067246e-12 . . . . 1.36999132901e-37 1.12447077805e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 14 . 1 1 228 228 ILE N N 15 0.840199101347 0.00709773684492 4.39748898617e-12 2.7298468815e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 15 . 1 1 231 231 THR N N 15 0.824089603409 0.00961840005958 9.94979516685e-12 2.80521417114e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 16 . 1 1 232 232 TRP N N 15 0.819165615214 0.0147806129388 9.49139533923e-12 3.06033415085e-12 . . . . 4.15332392084e-38 1.51720478955e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 17 . 1 1 233 233 GLN N N 15 0.810371004533 0.00954694516391 7.52399658453e-12 3.29414167623e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 18 . 1 1 234 234 ARG N N 15 0.808583270434 0.0181845246358 6.59488261064e-12 3.21117272685e-12 . . . . 8.32390670336e-38 1.64856122904e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 19 . 1 1 235 235 ASP N N 15 0.88902562345 0.0109464150738 2.36029518632e-11 7.5033218282e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 20 . 1 1 236 236 GLY N N 15 0.863902367102 0.0167369159831 3.04371854492e-11 8.28233046929e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 21 . 1 1 237 237 GLU N N 15 0.895092892706 0.0169828206697 3.24028388465e-11 7.67291885725e-12 . . . . 3.08211425139e-38 1.48292846177e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 22 . 1 1 242 242 ASP N N 15 0.802978880764 0.014949617748 . . . . 6.9321203782e-10 1.1133108156e-10 . . . 'S2f, S2, ts' 0.878167248334 0.0141491209411 0.914380355549 0.0105182007507 . . . . . . . . . 26710 2 23 . 1 1 243 243 THR N N 15 0.768176755345 0.00920777191846 . . . . 5.15440911555e-10 8.71422806147e-11 . . . 'S2f, S2, ts' 0.820055729952 0.0085575949252 0.936737257344 0.00650318645237 . . . . . . . . . 26710 2 24 . 1 1 244 244 GLU N N 15 0.788080806257 0.017819550559 6.05431206752e-12 2.9117326333e-12 . . . . 9.56189005072e-38 1.85664329169e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 25 . 1 1 245 245 LEU N N 15 0.795412161945 0.00896413241921 . . . . 1.43002148235e-09 1.60249124526e-09 . . . 'S2f, S2, ts' 0.821497530793 0.00766807636484 0.968246564512 0.00681670970224 . . . . . . . . . 26710 2 26 . 1 1 246 246 VAL N N 15 0.770545162558 0.0142844609695 2.4560432797e-11 2.59319567879e-12 . . . . 5.58207764799e-38 1.38555193097e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 27 . 1 1 247 247 GLU N N 15 0.845821312905 0.00768142449351 6.56172221504e-12 3.20257015089e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 28 . 1 1 249 249 ARG N N 15 0.798985627984 0.0194666111989 6.70005300912e-12 3.3057340983e-12 . . . . 1.73897004983e-37 2.18278248143e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 29 . 1 1 251 251 ALA N N 15 0.825968167392 0.0207445392715 . . . . . . 6.99770236881e-38 1.89226140829e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 30 . 1 1 252 252 GLY N N 15 0.898105323029 0.0193038817503 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 31 . 1 1 254 254 ARG N N 15 0.726043676707 0.0308945437651 . . . . 1.6321071518e-09 1.02374823449e-09 . . . 'S2f, S2, ts' 0.824643585416 0.0327936696287 0.880433304215 0.0255421945524 . . . . . . . . . 26710 2 32 . 1 1 255 255 THR N N 15 0.737629897478 0.0168008430779 . . . . 1.15251282021e-09 2.80397623543e-10 . . . 'S2f, S2, ts' 0.811707983413 0.0164694001718 0.908738009914 0.011703723753 . . . . . . . . . 26710 2 33 . 1 1 256 256 PHE N N 15 0.818079073722 0.0191716842545 6.10119730433e-12 2.96264299243e-12 . . . . 6.63583243151e-38 1.85968553905e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 34 . 1 1 257 257 GLN N N 15 0.736738997792 0.0158086595489 . . . . . . 1.23606488242e-37 1.666679833e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 35 . 1 1 258 258 LYS N N 15 0.778244058957 0.0159962734017 . . . . . . 7.32257570445e-38 1.78373348206e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 36 . 1 1 259 259 TRP N N 15 0.749806323297 0.0172865452367 . . . . . . 1.44054875204e-37 1.83006143457e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 37 . 1 1 260 260 ALA N N 15 0.828639584183 0.0172591626952 . . . . . . 6.25365854686e-38 1.89493356048e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 38 . 1 1 261 261 ALA N N 15 0.78775795724 0.028587177841 . . . . . . 1.15912745787e-37 2.90645731335e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 39 . 1 1 263 263 VAL N N 15 0.825359795774 0.00859273409489 9.19335262041e-12 2.94569427042e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 40 . 1 1 266 266 SER N N 15 0.839516633877 0.0126717085432 1.52530589092e-11 3.15411213411e-12 . . . . 2.47671068828e-38 1.19808470654e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 41 . 1 1 267 267 GLY N N 15 0.779053248003 0.0180621591195 1.09066648343e-11 2.90455876698e-12 . . . . 6.0980531004e-38 1.69175664156e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 42 . 1 1 269 269 GLU N N 15 0.768886046165 0.023861618492 . . . . . . 9.35371916826e-38 2.32776391704e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 43 . 1 1 270 270 GLN N N 15 0.776830008096 0.0221575678651 9.93972029845e-12 3.50183762287e-12 . . . . 1.30681777456e-37 1.99456909348e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 44 . 1 1 271 271 ARG N N 15 0.86822859751 0.0208498253088 9.39112925047e-12 6.19435368064e-12 . . . . 4.89976127503e-38 1.92095258207e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 45 . 1 1 272 272 TYR N N 15 0.809097032219 0.0191211669648 9.79930404458e-12 3.47049350193e-12 . . . . 1.06876253654e-37 1.79395939259e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 46 . 1 1 273 273 THR N N 15 0.82511070276 0.0177063882524 . . . . . . 2.6925385636e-38 1.57360859787e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 47 . 1 1 275 275 HIS N N 15 0.846702725121 0.0134493305236 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 48 . 1 1 276 276 VAL N N 15 0.787889439746 0.0176838653446 . . . . . . 5.98182966275e-38 1.65175193474e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 49 . 1 1 278 278 HIS N N 15 0.810440315669 0.0147351471852 8.72697890907e-12 2.57223729216e-12 . . . . 3.54507533048e-38 1.36811332329e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 50 . 1 1 279 279 GLU N N 15 0.848830578683 0.00889015436214 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 51 . 1 1 280 280 GLY N N 15 0.868439849524 0.0163003243575 9.81974252503e-12 6.52150633517e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 52 . 1 1 281 281 LEU N N 15 0.408505528022 0.00622578358127 . . . . 1.45817686262e-09 1.03826113585e-10 . . . 'S2f, S2, ts' 0.522078720989 0.00658681507437 0.782459639895 0.00767162555793 . . . . . . . . . 26710 2 53 . 1 1 287 287 LEU N N 15 0.836912293086 0.0119101011777 1.42081492725e-11 3.70817545362e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 54 . 1 1 289 289 TRP N N 15 0.7669949089 0.00902948024708 . . . . 8.5108793105e-10 1.135499379e-10 . . . 'S2f, S2, ts' 0.818700578975 0.00846662275838 0.936844224368 0.00612577249554 . . . . . . . . . 26710 2 55 . 1 1 290 290 GLU N N 15 0.712216477454 0.00508868082548 . . . . 3.27513909259e-10 2.681136864e-11 . . . 'S2f, S2, ts' 0.826613422868 0.00567884253878 0.861607684742 0.00366300772071 . . . . . . . . . 26710 2 stop_ save_ save_order_parameter_list_3 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_3 _Order_parameter_list.Entry_ID 26710 _Order_parameter_list.ID 3 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Bond_length_val: 1.02e-10.' _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 '600.18 MHz R1' 1 $sample_1 . 26710 3 2 '600.18 MHz R2' . . . 26710 3 3 '600.18 MHz steady-state NOE' . . . 26710 3 4 '750.46 MHz R1' . . . 26710 3 5 '750.46 MHz R2' . . . 26710 3 6 '750.46 MHz steady-state NOE' . . . 26710 3 7 '600.18 MHz R1' 1 $sample_1 . 26710 3 8 '600.18 MHz R2' . . . 26710 3 9 '600.18 MHz steady-state NOE' . . . 26710 3 10 '750.46 MHz R1' . . . 26710 3 11 '750.46 MHz R2' . . . 26710 3 12 '750.46 MHz steady-state NOE' . . . 26710 3 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 1 $relax . . 26710 3 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 17 17 SER N N 15 0.577444163529 0.0555246352237 . . 2.73266911264e-11 5.51348237501e-12 3.5677712732e-09 2.65862005348e-09 7.45709790068e-38 3.29442983437e-38 . 'S2f, tf, S2, ts, Rex' 0.680856581811 0.0363857666567 0.848114241612 0.0525698538602 . . . . . . . . . 26710 3 2 . 1 1 19 19 SER N N 15 0.768788474152 0.0179713577746 . . . . . . 9.04882654252e-38 1.79762981812e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 3 . 1 1 20 20 MET N N 15 0.841732878631 0.0267481596336 . . . . . . 4.7273265914e-38 2.45210564226e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 4 . 1 1 22 22 TYR N N 15 0.860908472814 0.013541080173 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 5 . 1 1 25 25 THR N N 15 0.828499339832 0.0313577025926 . . . . . . 5.26949450106e-38 2.82568911221e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 6 . 1 1 27 27 VAL N N 15 0.740612837395 0.00623255984435 . . . . 8.63458564743e-10 7.29858325409e-11 . . . 'S2f, S2, ts' 0.807650692979 0.00638096070608 0.91699647364 0.00518956702529 . . . . . . . . . 26710 3 7 . 1 1 28 28 SER N N 15 0.817752150866 0.0263531100796 . . . . . . 1.18714923768e-37 2.40617655077e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 8 . 1 1 29 29 ARG N N 15 0.878785129492 0.00940677449105 1.22050752382e-11 6.24717533235e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 9 . 1 1 31 31 GLY N N 15 0.0728612093493 0.123812135373 . . . . 1.19814004356e-09 2.23875428629e-10 2.07093971538e-37 8.8578613e-38 . 'S2f, S2, ts, Rex' 0.286376408905 0.108201659095 0.254424621176 0.263053543157 . . . . . . . . . 26710 3 10 . 1 1 34 34 GLU N N 15 0.681537545679 0.0116003517221 . . . . 1.19640547681e-09 1.49148659347e-10 . . . 'S2f, S2, ts' 0.788083751046 0.0125703303306 0.864803448586 0.0107075510388 . . . . . . . . . 26710 3 11 . 1 1 36 36 ARG N N 15 0.861851859594 0.0158399078814 1.38462369102e-11 7.70780837583e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 12 . 1 1 37 37 PHE N N 15 0.790784526598 0.0265772390645 1.03521762291e-11 4.38669777096e-12 . . . . 5.40878910822e-38 2.41156971263e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 13 . 1 1 38 38 ILE N N 15 0.814508765859 0.0144001883541 . . . . . . 5.87755216806e-38 1.28533651376e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 14 . 1 1 39 39 THR N N 15 0.864327636729 0.0247852032319 . . . . . . 1.68355771706e-37 2.63566941676e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 15 . 1 1 40 40 VAL N N 15 0.875960890116 0.017699769692 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 16 . 1 1 41 41 GLY N N 15 0.830592114586 0.0205621686313 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 17 . 1 1 42 42 TYR N N 15 0.762704063321 0.0174838544742 . . . . . . 1.15463726647e-37 1.85331223776e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 18 . 1 1 44 44 ASP N N 15 0.799037004632 0.0179034598716 . . . . . . 1.0731879514e-37 1.74511659638e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 19 . 1 1 45 45 ASP N N 15 0.793582505421 0.0205536473438 . . . . . . 7.95774985393e-38 1.9476021404e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 20 . 1 1 46 46 THR N N 15 0.840192785971 0.0243145468424 . . . . . . 5.59999086734e-38 2.29843748561e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 21 . 1 1 47 47 LEU N N 15 0.769482605993 0.0161456446269 3.67783356748e-12 2.10719199957e-12 . . . . 1.29736297892e-37 1.71682809338e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 22 . 1 1 49 49 VAL N N 15 0.864024642886 0.0459232082705 . . . . . . 1.66710828605e-37 5.53914193677e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 23 . 1 1 50 50 ARG N N 15 0.792056612747 0.0213356715113 . . . . . . 6.07603388534e-38 2.08951057589e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 24 . 1 1 51 51 PHE N N 15 0.826749862932 0.0253898695744 . . . . . . 1.69927386303e-37 2.66879384652e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 25 . 1 1 52 52 ASP N N 15 0.847521597856 0.0115707024137 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 26 . 1 1 53 53 SER N N 15 0.81814847557 0.0203765086268 8.04425714937e-12 4.16290634476e-12 . . . . 8.48968929558e-38 1.85247103609e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 27 . 1 1 54 54 ASP N N 15 0.804952343012 0.0171249981317 1.12729456788e-11 3.21243058331e-12 . . . . 1.35033831502e-37 1.58613463889e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 28 . 1 1 55 55 ALA N N 15 0.68607444444 0.00502603975526 . . . . 3.99448856367e-10 2.03209038304e-11 . . . 'S2f, S2, ts' 0.829303257338 0.00571436829818 0.827290184102 0.00476826076614 . . . . . . . . . 26710 3 29 . 1 1 56 56 ALA N N 15 0.635648419148 0.0224838560571 . . 3.39996209186e-11 1.19570123096e-11 2.19681586454e-09 3.3761818626e-09 . . . 'S2f, tf, S2, ts' 0.664167946249 0.0297466102884 0.957059765889 0.0353062955118 . . . . . . . . . 26710 3 30 . 1 1 57 57 SER N N 15 0.613442322691 0.0173020582721 . . . . 6.30460188834e-10 8.61005367287e-11 . . . 'S2f, S2, ts' 0.723024012902 0.0193516462523 0.848439763749 0.0172570918283 . . . . . . . . . 26710 3 31 . 1 1 63 63 ARG N N 15 0.762434813076 0.0315582268912 . . . . . . 9.77691497627e-38 3.36962857163e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 32 . 1 1 64 64 ALA N N 15 0.742826749114 0.0313238596056 . . . . . . 1.58271946063e-37 3.37793403842e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 33 . 1 1 66 66 TRP N N 15 0.860314171064 0.0251388053399 . . . . . . 5.68441036141e-38 2.42842463873e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 34 . 1 1 67 67 ILE N N 15 0.857837894606 0.03553636117 . . . . . . 1.1970425372e-37 3.82701237483e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 35 . 1 1 70 70 GLU N N 15 0.85370152431 0.0173443537329 . . . . . . 1.26898794307e-37 1.73509402704e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 36 . 1 1 71 71 GLY N N 15 0.684583844065 0.0118186012308 . . . . 2.95377320758e-09 1.67494487457e-09 . . . 'S2f, S2, ts' 0.757151009019 0.0088125042493 0.904157606489 0.0167621147904 . . . . . . . . . 26710 3 37 . 1 1 73 73 GLU N N 15 0.865270175115 0.0162285069367 1.39700989327e-11 7.25588831816e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 38 . 1 1 74 74 TYR N N 15 0.880725844617 0.0116401222059 2.0845086611e-11 6.46376831056e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 39 . 1 1 75 75 TRP N N 15 0.872583340368 0.0275876026001 . . . . . . 4.23871187589e-38 2.64275155079e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 40 . 1 1 77 77 ARG N N 15 0.907136905477 0.0206414459461 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 41 . 1 1 78 78 GLU N N 15 0.909487180179 0.0219414297481 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 42 . 1 1 80 80 GLN N N 15 0.621369517057 0.0211511828452 . . . . 1.83153908665e-09 2.16777715969e-09 . . . 'S2f, S2, ts' 0.687960262393 0.0165363298989 0.903205535296 0.0249444307263 . . . . . . . . . 26710 3 43 . 1 1 87 87 GLN N N 15 0.736993185905 0.10253755354 . . . . 3.03858361171e-09 3.6269651037e-09 . . . 'S2f, S2, ts' 0.823730485013 0.087715506388 0.894701846434 0.0693234551546 . . . . . . . . . 26710 3 44 . 1 1 89 89 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 3 45 . 1 1 90 90 ARG N N 15 0.866200907621 0.0150977247178 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 46 . 1 1 91 91 GLU N N 15 0.871585404339 0.0222439977398 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 47 . 1 1 92 92 ASP N N 15 0.8584749372 0.0244313072628 1.80985646336e-11 1.0171391836e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 48 . 1 1 94 94 ARG N N 15 0.839487397671 0.0180546775654 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 49 . 1 1 97 97 LEU N N 15 0.875635727013 0.0351396509236 . . . . . . 6.28538633683e-38 3.10448256397e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 50 . 1 1 98 98 ARG N N 15 0.863060359373 0.0152655963148 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 51 . 1 1 99 99 TYR N N 15 0.861626994677 0.017873126241 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 52 . 1 1 100 100 TYR N N 15 0.76258785517 0.0233090262209 . . . . . . 7.28188361809e-38 2.11110885547e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 53 . 1 1 106 106 GLY N N 15 0.585357498186 0.0322037255304 . . . . 6.13028965157e-10 1.18201066877e-10 . . . 'S2f, S2, ts' 0.745905544676 0.0421276321858 0.784760888781 0.0364026344244 . . . . . . . . . 26710 3 54 . 1 1 109 109 THR N N 15 0.820365409772 0.0129481458509 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 55 . 1 1 110 110 LEU N N 15 0.846579984332 0.0196950601579 2.33092117253e-11 8.99928486875e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 56 . 1 1 112 112 ASN N N 15 0.816324077604 0.0373756793759 . . . . . . 5.34308719421e-38 3.44245856303e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 57 . 1 1 113 113 MET N N 15 0.795094154245 0.0507006382367 . . . . . . 1.51092670725e-37 5.07504815878e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 58 . 1 1 115 115 GLY N N 15 0.821268798175 0.0315280103899 . . . . . . 9.99720906636e-38 3.4134718547e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 59 . 1 1 116 116 CYS N N 15 0.834675478377 0.0161382191406 1.41217760885e-11 5.71439915188e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 60 . 1 1 117 117 ASP N N 15 0.78944704007 0.0229729301931 . . . . . . 1.06794725397e-37 2.36165519511e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 61 . 1 1 118 118 VAL N N 15 0.772283942881 0.0224269352108 . . . . . . 1.12309040059e-37 2.44669933187e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 62 . 1 1 119 119 GLY N N 15 0.796965455257 0.0172600523505 7.81096152687e-12 2.89415967173e-12 . . . . 6.06686841315e-38 1.82782277532e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 63 . 1 1 125 125 LEU N N 15 0.809510513686 0.0208480777676 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 64 . 1 1 126 126 ARG N N 15 0.786486316639 0.0194853842814 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 65 . 1 1 127 127 GLY N N 15 0.815347716407 0.0140182709569 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 66 . 1 1 130 130 GLN N N 15 0.860552395457 0.0327040620304 . . . . . . 6.04722508825e-38 2.95242388024e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 67 . 1 1 134 134 ASP N N 15 0.826437946763 0.0369850103418 . . . . . . 5.34398847592e-38 3.35544953216e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 68 . 1 1 135 135 GLY N N 15 0.580924370958 0.0684261533174 . . . . . . 1.99799732357e-37 6.68970752371e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 69 . 1 1 136 136 LYS N N 15 0.803091737766 0.0224527976231 . . . . . . 1.70252311643e-37 2.15865385801e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 70 . 1 1 139 139 ILE N N 15 0.843671186754 0.0346447197316 . . . . . . 5.05536974245e-38 3.03637854151e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 71 . 1 1 140 140 ALA N N 15 0.888787158104 0.03746117606 . . . . . . 6.19491780788e-38 3.59183230492e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 72 . 1 1 141 141 LEU N N 15 0.804713303568 0.0261829976894 . . . . . . 5.05735552945e-38 2.48962695655e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 73 . 1 1 144 144 ASP N N 15 0.824856774196 0.01704453432 . . . . 7.747902339e-09 4.34242577861e-09 . . . 'S2f, S2, ts' 0.87821106878 0.00966698335099 0.939246615671 0.0207499083193 . . . . . . . . . 26710 3 74 . 1 1 145 145 LEU N N 15 0.872092244181 0.0220960803815 . . . . . . 5.70076774771e-38 2.10613220043e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 75 . 1 1 147 147 SER N N 15 0.681913058926 0.025194592938 1.53124407104e-11 2.89847606921e-12 . . . . 6.31387602962e-38 2.1697274595e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 76 . 1 1 148 148 TRP N N 15 0.77666475804 0.0122787760165 . . . . . . 8.11612851664e-38 1.17461334217e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 77 . 1 1 149 149 THR N N 15 0.789743388987 0.0180045931093 . . . . . . 3.03405440927e-38 1.56433560518e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 78 . 1 1 150 150 ALA N N 15 0.842136556597 0.009919705528 1.66504837019e-11 4.30621364151e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 79 . 1 1 151 151 ALA N N 15 0.834684286621 0.0157753769145 . . . . 1.11021966512e-09 8.33149237163e-10 . . . 'S2f, S2, ts' 0.878417932594 0.0141800441319 0.950213168072 0.00954271629384 . . . . . . . . . 26710 3 80 . 1 1 152 152 ASP N N 15 0.753856553036 0.00996000953784 . . . . 1.05291896082e-09 2.9964422529e-10 . . . 'S2f, S2, ts' 0.793709417848 0.00925854277989 0.949789099239 0.00613894084841 . . . . . . . . . 26710 3 81 . 1 1 153 153 THR N N 15 0.724952398751 0.0669204571164 8.29129767732e-12 5.95406431676e-12 . . . . 9.27165586399e-38 6.10535991133e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 82 . 1 1 154 154 ALA N N 15 0.890023086633 0.0144291243174 2.90481844942e-11 8.91929235327e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 83 . 1 1 156 156 GLN N N 15 0.841611960736 0.0297502434417 . . . . . . 5.65296591114e-38 3.09857111406e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 84 . 1 1 158 158 THR N N 15 0.765982271208 0.0446654338502 . . . . . . 1.09672294432e-37 4.62097579706e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 85 . 1 1 160 160 ARG N N 15 0.908903114509 0.0216424293233 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 86 . 1 1 161 161 LYS N N 15 0.835539193934 0.0140898585604 7.68075435338e-12 4.08468451198e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 87 . 1 1 163 163 GLU N N 15 0.91300334625 0.0247318092999 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 88 . 1 1 165 165 ALA N N 15 0.787124706589 0.0358874182014 . . . . . . 9.97792443809e-38 3.64202759392e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 89 . 1 1 166 166 ARG N N 15 0.886248463788 0.0174377478491 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 90 . 1 1 167 167 VAL N N 15 0.873420053368 0.0312089358137 2.28519587724e-11 1.58277231304e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 91 . 1 1 168 168 ALA N N 15 0.921192861184 0.0273550056903 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 92 . 1 1 169 169 GLU N N 15 0.816553679579 0.0312920059497 1.61757368164e-11 6.13579771747e-12 . . . . 7.14193500538e-38 3.05396667944e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 93 . 1 1 172 172 ARG N N 15 0.836074804617 0.130238800906 9.11663327602e-11 2.10284382103e-10 . . . . 2.66397342596e-37 1.86222102715e-37 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 94 . 1 1 173 173 ALA N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 3 95 . 1 1 174 174 TYR N N 15 0.803839068214 0.0262688254386 . . . . . . 6.43989855664e-38 2.47217077174e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 96 . 1 1 176 176 GLU N N 15 0.78088921914 0.0452697134794 1.10440491949e-11 6.72130763718e-12 . . . . 1.04709913117e-37 4.88969579817e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 97 . 1 1 177 177 GLY N N 15 0.769406834558 0.0125069241728 4.04652326297e-12 2.72778464193e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 98 . 1 1 178 178 GLU N N 15 0.487640545395 0.132254716479 . . . . 3.36324706174e-09 3.18014000814e-09 2.63177386695e-37 9.28269430007e-38 . 'S2f, S2, ts, Rex' 0.569726611955 0.0939398434729 0.85592025221 0.125363450975 . . . . . . . . . 26710 3 99 . 1 1 180 180 VAL N N 15 0.776737867326 0.0305536845166 . . . . . . 1.377030327e-37 3.474660484e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 100 . 1 1 181 181 GLU N N 15 0.807523047876 0.0292940694316 . . . . . . 2.26243980919e-37 3.82548551784e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 101 . 1 1 183 183 LEU N N 15 0.843359075156 0.0263495719027 . . . . . . 8.53438492689e-38 2.7746857224e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 102 . 1 1 184 184 ARG N N 15 0.781357579505 0.0327730956286 . . . . . . 1.65737406879e-37 3.87752897957e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 103 . 1 1 190 190 GLY N N 15 0.815711178295 0.0257046604333 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 104 . 1 1 191 191 LYS N N 15 0.906854549905 0.0210641609666 1.82578922112e-11 9.43672964551e-12 . . . . 4.09912669123e-38 2.0323620425e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 105 . 1 1 192 192 GLU N N 15 0.952646435888 0.0135880849579 5.41313502618e-11 8.15439226748e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 106 . 1 1 193 193 THR N N 15 0.905972139163 0.0390491093805 2.09829459228e-11 9.29101894647e-11 . . . . 1.2654800286e-37 3.77321944333e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 107 . 1 1 194 194 LEU N N 15 0.842645957422 0.0189542730695 1.66360753323e-11 7.19226164095e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 stop_ save_ save_Tensor_data_1 _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_1 _Tensor_list.Entry_ID 26710 _Tensor_list.ID 1 _Tensor_list.Tensor_type diffusion _Tensor_list.Tensor_shape . _Tensor_list.Matrix_val_units s-1 _Tensor_list.Isotropic_val_type . _Tensor_list.Angle_units rad _Tensor_list.Isotropic_val_formula 'Diso = 1/(6.tm)' _Tensor_list.Anisotropic_val_formula 'Da = Dpar - Dper' _Tensor_list.Rhombic_val_formula 'Dr = (Dy - Dx)/2Da' _Tensor_list.Euler_angle_type zyz _Tensor_list.Details . loop_ _Tensor.ID _Tensor.Interatomic_distance_list_ID _Tensor.Interatomic_dist_set_ID _Tensor.Calc_type_ID _Tensor.Assembly_atom_ID _Tensor.Entity_assembly_ID _Tensor.Entity_ID _Tensor.Comp_index_ID _Tensor.Seq_ID _Tensor.Comp_ID _Tensor.Atom_ID _Tensor.Atom_type _Tensor.Atom_isotope_number _Tensor.Axial_sym_axis_polar_angle _Tensor.Axial_sym_axis_aximuthal_angle _Tensor.Isotropic_val _Tensor.Anisotropic_val _Tensor.Rhombic_val _Tensor.Euler_angle_alpha _Tensor.Euler_angle_beta _Tensor.Euler_angle_gamma _Tensor.Isotropic_comp_1_1_val _Tensor.Isotropic_comp_2_2_val _Tensor.Isotropic_comp_3_3_val _Tensor.Anti_sym_comp_1_2_val _Tensor.Anti_sym_comp_1_3_val _Tensor.Anti_sym_comp_2_3_val _Tensor.Sym_traceless_comp_1_1_val _Tensor.Sym_traceless_comp_1_2_val _Tensor.Sym_traceless_comp_1_3_val _Tensor.Sym_traceless_comp_2_2_val _Tensor.Sym_traceless_comp_2_3_val _Tensor.Reduceable_matrix_1_1_val _Tensor.Reduceable_matrix_1_2_val _Tensor.Reduceable_matrix_1_3_val _Tensor.Reduceable_matrix_2_1_val _Tensor.Reduceable_matrix_2_2_val _Tensor.Reduceable_matrix_2_3_val _Tensor.Reduceable_matrix_3_1_val _Tensor.Reduceable_matrix_3_2_val _Tensor.Reduceable_matrix_3_3_val _Tensor.Auth_entity_assembly_ID _Tensor.Auth_seq_ID _Tensor.Auth_comp_ID _Tensor.Auth_atom_ID _Tensor.Entry_ID _Tensor.Tensor_list_ID 1 . . . . 2 2 3 3 GLN N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 2 . . . . 2 2 8 8 ILE N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 3 . . . . 2 2 9 9 GLN N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 4 . . . . 2 2 12 12 SER N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 5 . . . . 2 2 13 13 ARG N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 6 . . . . 2 2 14 14 HIS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 7 . . . . 2 2 17 17 GLU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 8 . . . . 2 2 19 19 GLY N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 9 . . . . 2 2 20 20 LYS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 10 . . . . 2 2 23 23 PHE N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 11 . . . . 2 2 25 25 ASN N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 12 . . . . 2 2 26 26 CYS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 13 . . . . 2 2 27 27 TYR N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 14 . . . . 2 2 29 29 SER N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 15 . . . . 2 2 30 30 GLY N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 16 . . . . 2 2 31 31 PHE N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 17 . . . . 2 2 34 34 SER N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 18 . . . . 2 2 35 35 ASP N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 19 . . . . 2 2 37 37 GLU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 20 . . . . 2 2 38 38 VAL N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 21 . . . . 2 2 40 40 LEU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 22 . . . . 2 2 41 41 LEU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 23 . . . . 2 2 43 43 ASN N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 24 . . . . 2 2 44 44 GLY N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 25 . . . . 2 2 45 45 GLU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 26 . . . . 2 2 46 46 ARG N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 27 . . . . 2 2 47 47 ILE N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 28 . . . . 2 2 48 48 GLU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 29 . . . . 2 2 49 49 LYS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 30 . . . . 2 2 51 51 GLU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 31 . . . . 2 2 52 52 HIS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 32 . . . . 2 2 53 53 SER N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 33 . . . . 2 2 54 54 ASP N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 34 . . . . 2 2 55 55 LEU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 35 . . . . 2 2 56 56 SER N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 36 . . . . 2 2 57 57 PHE N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 37 . . . . 2 2 58 58 SER N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 38 . . . . 2 2 60 60 ASP N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 39 . . . . 2 2 61 61 TRP N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 40 . . . . 2 2 61 61 TRP NE1 N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 41 . . . . 2 2 62 62 SER N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 42 . . . . 2 2 63 63 PHE N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 43 . . . . 2 2 64 64 TYR N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 44 . . . . 2 2 65 65 LEU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 45 . . . . 2 2 66 66 LEU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 46 . . . . 2 2 67 67 TYR N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 47 . . . . 2 2 68 68 TYR N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 48 . . . . 2 2 69 69 THR N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 49 . . . . 2 2 70 70 GLU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 50 . . . . 2 2 71 71 PHE N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 51 . . . . 2 2 72 72 THR N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 52 . . . . 2 2 74 74 THR N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 53 . . . . 2 2 75 75 GLU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 54 . . . . 2 2 76 76 LYS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 55 . . . . 2 2 77 77 ASP N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 56 . . . . 2 2 79 79 TYR N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 57 . . . . 2 2 81 81 CYS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 58 . . . . 2 2 82 82 ARG N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 59 . . . . 2 2 83 83 VAL N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 60 . . . . 2 2 84 84 ASN N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 61 . . . . 2 2 85 85 HIS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 62 . . . . 2 2 86 86 VAL N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 63 . . . . 2 2 87 87 THR N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 64 . . . . 2 2 88 88 LEU N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 65 . . . . 2 2 90 90 GLN N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 66 . . . . 2 2 92 92 LYS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 67 . . . . 2 2 93 93 ILE N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 68 . . . . 2 2 94 94 VAL N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 69 . . . . 2 2 95 95 LYS N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 70 . . . . 2 2 96 96 TRP N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 71 . . . . 2 2 96 96 TRP NE1 N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 72 . . . . 2 2 97 97 ASP N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 73 . . . . 2 2 98 98 ARG N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 74 . . . . 2 2 99 99 ASP N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 75 . . . . 2 2 100 100 MET N N 15 2.43258982047 0.100282843416 8073103.16816 2014350.19275 . . . . . . . . . . . . . . . 8246980.81582 85057.1880013 990440.494764 85057.1880013 7410211.58973 99658.4900515 990440.494764 99658.4900515 8562117.09894 . . . . 26710 1 stop_ save_ save_Tensor_data_2 _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_2 _Tensor_list.Entry_ID 26710 _Tensor_list.ID 2 _Tensor_list.Tensor_type diffusion _Tensor_list.Tensor_shape . _Tensor_list.Matrix_val_units s-1 _Tensor_list.Isotropic_val_type . _Tensor_list.Angle_units rad _Tensor_list.Isotropic_val_formula 'Diso = 1/(6.tm)' _Tensor_list.Anisotropic_val_formula 'Da = Dpar - Dper' _Tensor_list.Rhombic_val_formula 'Dr = (Dy - Dx)/2Da' _Tensor_list.Euler_angle_type zyz _Tensor_list.Details . loop_ _Tensor.ID _Tensor.Interatomic_distance_list_ID _Tensor.Interatomic_dist_set_ID _Tensor.Calc_type_ID _Tensor.Assembly_atom_ID _Tensor.Entity_assembly_ID _Tensor.Entity_ID _Tensor.Comp_index_ID _Tensor.Seq_ID _Tensor.Comp_ID _Tensor.Atom_ID _Tensor.Atom_type _Tensor.Atom_isotope_number _Tensor.Axial_sym_axis_polar_angle _Tensor.Axial_sym_axis_aximuthal_angle _Tensor.Isotropic_val _Tensor.Anisotropic_val _Tensor.Rhombic_val _Tensor.Euler_angle_alpha _Tensor.Euler_angle_beta _Tensor.Euler_angle_gamma _Tensor.Isotropic_comp_1_1_val _Tensor.Isotropic_comp_2_2_val _Tensor.Isotropic_comp_3_3_val _Tensor.Anti_sym_comp_1_2_val _Tensor.Anti_sym_comp_1_3_val _Tensor.Anti_sym_comp_2_3_val _Tensor.Sym_traceless_comp_1_1_val _Tensor.Sym_traceless_comp_1_2_val _Tensor.Sym_traceless_comp_1_3_val _Tensor.Sym_traceless_comp_2_2_val _Tensor.Sym_traceless_comp_2_3_val _Tensor.Reduceable_matrix_1_1_val _Tensor.Reduceable_matrix_1_2_val _Tensor.Reduceable_matrix_1_3_val _Tensor.Reduceable_matrix_2_1_val _Tensor.Reduceable_matrix_2_2_val _Tensor.Reduceable_matrix_2_3_val _Tensor.Reduceable_matrix_3_1_val _Tensor.Reduceable_matrix_3_2_val _Tensor.Reduceable_matrix_3_3_val _Tensor.Auth_entity_assembly_ID _Tensor.Auth_seq_ID _Tensor.Auth_comp_ID _Tensor.Auth_atom_ID _Tensor.Entry_ID _Tensor.Tensor_list_ID 1 . . . . 1 1 203 203 HIS N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 2 . . . . 1 1 206 206 HIS N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 3 . . . . 1 1 209 209 ILE N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 4 . . . . 1 1 210 210 SER N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 5 . . . . 1 1 212 212 HIS N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 6 . . . . 1 1 213 213 GLU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 7 . . . . 1 1 214 214 ALA N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 8 . . . . 1 1 215 215 THR N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 9 . . . . 1 1 218 218 CYS N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 10 . . . . 1 1 219 219 TRP N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 11 . . . . 1 1 222 222 GLY N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 12 . . . . 1 1 224 224 TYR N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 13 . . . . 1 1 227 227 GLU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 14 . . . . 1 1 228 228 ILE N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 15 . . . . 1 1 231 231 THR N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 16 . . . . 1 1 232 232 TRP N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 17 . . . . 1 1 233 233 GLN N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 18 . . . . 1 1 234 234 ARG N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 19 . . . . 1 1 235 235 ASP N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 20 . . . . 1 1 236 236 GLY N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 21 . . . . 1 1 237 237 GLU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 22 . . . . 1 1 242 242 ASP N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 23 . . . . 1 1 243 243 THR N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 24 . . . . 1 1 244 244 GLU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 25 . . . . 1 1 245 245 LEU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 26 . . . . 1 1 246 246 VAL N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 27 . . . . 1 1 247 247 GLU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 28 . . . . 1 1 249 249 ARG N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 29 . . . . 1 1 251 251 ALA N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 30 . . . . 1 1 252 252 GLY N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 31 . . . . 1 1 254 254 ARG N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 32 . . . . 1 1 255 255 THR N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 33 . . . . 1 1 256 256 PHE N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 34 . . . . 1 1 257 257 GLN N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 35 . . . . 1 1 258 258 LYS N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 36 . . . . 1 1 259 259 TRP N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 37 . . . . 1 1 260 260 ALA N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 38 . . . . 1 1 261 261 ALA N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 39 . . . . 1 1 263 263 VAL N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 40 . . . . 1 1 266 266 SER N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 41 . . . . 1 1 267 267 GLY N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 42 . . . . 1 1 269 269 GLU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 43 . . . . 1 1 270 270 GLN N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 44 . . . . 1 1 271 271 ARG N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 45 . . . . 1 1 272 272 TYR N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 46 . . . . 1 1 273 273 THR N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 47 . . . . 1 1 275 275 HIS N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 48 . . . . 1 1 276 276 VAL N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 49 . . . . 1 1 278 278 HIS N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 50 . . . . 1 1 279 279 GLU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 51 . . . . 1 1 280 280 GLY N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 52 . . . . 1 1 281 281 LEU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 53 . . . . 1 1 287 287 LEU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 54 . . . . 1 1 289 289 TRP N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 55 . . . . 1 1 290 290 GLU N N 15 . . 8771606.15311 . 0.367457459305 2.57127730319 1.98389867208 0.108939006251 . . . . . . . . . . . 9405138.83464 75065.8963524 490007.617765 75065.8963524 8517593.53296 -441947.892126 490007.617765 -441947.892126 8392086.09174 . . . . 26710 2 stop_ save_ save_Tensor_data_3 _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_3 _Tensor_list.Entry_ID 26710 _Tensor_list.ID 3 _Tensor_list.Tensor_type diffusion _Tensor_list.Tensor_shape . _Tensor_list.Matrix_val_units s-1 _Tensor_list.Isotropic_val_type . _Tensor_list.Angle_units rad _Tensor_list.Isotropic_val_formula 'Diso = 1/(6.tm)' _Tensor_list.Anisotropic_val_formula 'Da = Dpar - Dper' _Tensor_list.Rhombic_val_formula 'Dr = (Dy - Dx)/2Da' _Tensor_list.Euler_angle_type zyz _Tensor_list.Details . loop_ _Tensor.ID _Tensor.Interatomic_distance_list_ID _Tensor.Interatomic_dist_set_ID _Tensor.Calc_type_ID _Tensor.Assembly_atom_ID _Tensor.Entity_assembly_ID _Tensor.Entity_ID _Tensor.Comp_index_ID _Tensor.Seq_ID _Tensor.Comp_ID _Tensor.Atom_ID _Tensor.Atom_type _Tensor.Atom_isotope_number _Tensor.Axial_sym_axis_polar_angle _Tensor.Axial_sym_axis_aximuthal_angle _Tensor.Isotropic_val _Tensor.Anisotropic_val _Tensor.Rhombic_val _Tensor.Euler_angle_alpha _Tensor.Euler_angle_beta _Tensor.Euler_angle_gamma _Tensor.Isotropic_comp_1_1_val _Tensor.Isotropic_comp_2_2_val _Tensor.Isotropic_comp_3_3_val _Tensor.Anti_sym_comp_1_2_val _Tensor.Anti_sym_comp_1_3_val _Tensor.Anti_sym_comp_2_3_val _Tensor.Sym_traceless_comp_1_1_val _Tensor.Sym_traceless_comp_1_2_val _Tensor.Sym_traceless_comp_1_3_val _Tensor.Sym_traceless_comp_2_2_val _Tensor.Sym_traceless_comp_2_3_val _Tensor.Reduceable_matrix_1_1_val _Tensor.Reduceable_matrix_1_2_val _Tensor.Reduceable_matrix_1_3_val _Tensor.Reduceable_matrix_2_1_val _Tensor.Reduceable_matrix_2_2_val _Tensor.Reduceable_matrix_2_3_val _Tensor.Reduceable_matrix_3_1_val _Tensor.Reduceable_matrix_3_2_val _Tensor.Reduceable_matrix_3_3_val _Tensor.Auth_entity_assembly_ID _Tensor.Auth_seq_ID _Tensor.Auth_comp_ID _Tensor.Auth_atom_ID _Tensor.Entry_ID _Tensor.Tensor_list_ID 1 . . . . 1 1 17 17 SER N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 2 . . . . 1 1 19 19 SER N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 3 . . . . 1 1 20 20 MET N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 4 . . . . 1 1 22 22 TYR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 5 . . . . 1 1 25 25 THR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 6 . . . . 1 1 27 27 VAL N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 7 . . . . 1 1 28 28 SER N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 8 . . . . 1 1 29 29 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 9 . . . . 1 1 31 31 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 10 . . . . 1 1 34 34 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 11 . . . . 1 1 36 36 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 12 . . . . 1 1 37 37 PHE N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 13 . . . . 1 1 38 38 ILE N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 14 . . . . 1 1 39 39 THR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 15 . . . . 1 1 40 40 VAL N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 16 . . . . 1 1 41 41 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 17 . . . . 1 1 42 42 TYR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 18 . . . . 1 1 44 44 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 19 . . . . 1 1 45 45 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 20 . . . . 1 1 46 46 THR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 21 . . . . 1 1 47 47 LEU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 22 . . . . 1 1 49 49 VAL N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 23 . . . . 1 1 50 50 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 24 . . . . 1 1 51 51 PHE N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 25 . . . . 1 1 52 52 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 26 . . . . 1 1 53 53 SER N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 27 . . . . 1 1 54 54 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 28 . . . . 1 1 55 55 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 29 . . . . 1 1 56 56 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 30 . . . . 1 1 57 57 SER N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 31 . . . . 1 1 63 63 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 32 . . . . 1 1 64 64 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 33 . . . . 1 1 66 66 TRP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 34 . . . . 1 1 67 67 ILE N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 35 . . . . 1 1 70 70 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 36 . . . . 1 1 71 71 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 37 . . . . 1 1 73 73 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 38 . . . . 1 1 74 74 TYR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 39 . . . . 1 1 75 75 TRP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 40 . . . . 1 1 77 77 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 41 . . . . 1 1 78 78 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 42 . . . . 1 1 80 80 GLN N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 43 . . . . 1 1 87 87 GLN N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 44 . . . . 1 1 89 89 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 45 . . . . 1 1 90 90 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 46 . . . . 1 1 91 91 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 47 . . . . 1 1 92 92 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 48 . . . . 1 1 94 94 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 49 . . . . 1 1 97 97 LEU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 50 . . . . 1 1 98 98 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 51 . . . . 1 1 99 99 TYR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 52 . . . . 1 1 100 100 TYR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 53 . . . . 1 1 106 106 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 54 . . . . 1 1 109 109 THR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 55 . . . . 1 1 110 110 LEU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 56 . . . . 1 1 112 112 ASN N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 57 . . . . 1 1 113 113 MET N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 58 . . . . 1 1 115 115 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 59 . . . . 1 1 116 116 CYS N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 60 . . . . 1 1 117 117 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 61 . . . . 1 1 118 118 VAL N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 62 . . . . 1 1 119 119 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 63 . . . . 1 1 125 125 LEU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 64 . . . . 1 1 126 126 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 65 . . . . 1 1 127 127 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 66 . . . . 1 1 130 130 GLN N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 67 . . . . 1 1 134 134 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 68 . . . . 1 1 135 135 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 69 . . . . 1 1 136 136 LYS N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 70 . . . . 1 1 139 139 ILE N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 71 . . . . 1 1 140 140 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 72 . . . . 1 1 141 141 LEU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 73 . . . . 1 1 144 144 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 74 . . . . 1 1 145 145 LEU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 75 . . . . 1 1 147 147 SER N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 76 . . . . 1 1 148 148 TRP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 77 . . . . 1 1 149 149 THR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 78 . . . . 1 1 150 150 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 79 . . . . 1 1 151 151 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 80 . . . . 1 1 152 152 ASP N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 81 . . . . 1 1 153 153 THR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 82 . . . . 1 1 154 154 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 83 . . . . 1 1 156 156 GLN N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 84 . . . . 1 1 158 158 THR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 85 . . . . 1 1 160 160 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 86 . . . . 1 1 161 161 LYS N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 87 . . . . 1 1 163 163 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 88 . . . . 1 1 165 165 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 89 . . . . 1 1 166 166 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 90 . . . . 1 1 167 167 VAL N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 91 . . . . 1 1 168 168 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 92 . . . . 1 1 169 169 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 93 . . . . 1 1 172 172 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 94 . . . . 1 1 173 173 ALA N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 95 . . . . 1 1 174 174 TYR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 96 . . . . 1 1 176 176 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 97 . . . . 1 1 177 177 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 98 . . . . 1 1 178 178 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 99 . . . . 1 1 180 180 VAL N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 100 . . . . 1 1 181 181 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 101 . . . . 1 1 183 183 LEU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 102 . . . . 1 1 184 184 ARG N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 103 . . . . 1 1 190 190 GLY N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 104 . . . . 1 1 191 191 LYS N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 105 . . . . 1 1 192 192 GLU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 106 . . . . 1 1 193 193 THR N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 107 . . . . 1 1 194 194 LEU N N 15 0.938086564893 1.66578551424 8531393.84043 -1756058.81901 . . . . . . . . . . . . . . . 9106473.42945 -107827.361216 -79424.9737904 -107827.361216 7985008.92603 -833631.171011 -79424.9737904 -833631.171011 8502699.16583 . . . . 26710 3 stop_ save_