data_26711 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26711 _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 TIS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-05 _Entry.Accession_date 2015-12-05 _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 TIS (RRLPIFSRL). ; _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 . . . . 26711 2 Andreas Ziegler . . . . 26711 3 Barbara Uchanska-Ziegler . . . . 26711 4 Anne Diehl . . . . 26711 5 Peter Schmieder . . . . 26711 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 6 26711 order_parameters 3 26711 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'General relaxation values' 960 26711 'chemical shift anisotropy values' 240 26711 'heteronuclear NOE values' 480 26711 'order parameters' 240 26711 tensors 240 26711 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 . 26711 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19121 'Chemical shifts for the beta-2 Microglobulin subunit of HLA-B*27:05/TIS' 26711 BMRB 25711 'Chemical shifts for the heavy chain of of HLA-B*27:05/TIS' 26711 BMRB 26710 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:05 in complex with the peptide pVIPR' 26711 BMRB 26712 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*B*27:09 in complex with the peptide pVIPR' 26711 BMRB 26713 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*B*27:09 in complex with the peptide TIS' 26711 BMRB 26714 'Relaxation and model-free data from human beta-2-microglobulin' 26711 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 26711 _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 . _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 ; 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. . . 26711 1 2 Edward d'Auvergne . J. . . 26711 1 3 Murray Coles C H . . 26711 1 4 Tony Velkov V H . . 26711 1 5 Yanni Chen C H . . 26711 1 6 William Charman . N. . . 26711 1 7 Richard Prankerd P H . . 26711 1 8 Paul Gooley . R. . . 26711 1 9 Martin J. . Scanlon . . 26711 1 stop_ save_ save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 26711 _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. . . 26711 2 2 Paul Gooley P. R. . . 26711 2 stop_ save_ save_entry_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_3 _Citation.Entry_ID 26711 _Citation.ID 3 _Citation.Class 'entry 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. . . 26711 3 2 Paul Gooley P. R. . . 26711 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26711 _Assembly.ID 1 _Assembly.Name B2705/TIS _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 $1w0v-hkca_mol1 A . yes native no no . 'antigen binding' . 26711 1 2 b2m 2 $1w0v-hkca_mol2 B . yes native no no . structural . 26711 1 3 TIS 3 $1w0v-hkca_mol3 C . no native no no . antigen . 26711 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 . . . . . . . . . . 26711 1 2 disulfide single . 1 . 1 CYS 218 218 SG . 1 . 1 CYS 274 274 SG . . . . . . . . . . 26711 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . . . . . . . . 26711 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_1w0v-hkca_mol1 _Entity.Sf_category entity _Entity.Sf_framecode 1w0v-hkca_mol1 _Entity.Entry_ID 26711 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 1w0v-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 ; -14, M -13, A -12, H ...... 275, E 276, P 277, S ; _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 . 26711 1 2 -13 ALA . 26711 1 3 -12 HIS . 26711 1 4 -11 HIS . 26711 1 5 -10 HIS . 26711 1 6 -9 HIS . 26711 1 7 -8 HIS . 26711 1 8 -7 HIS . 26711 1 9 -6 VAL . 26711 1 10 -5 ASP . 26711 1 11 -4 ASP . 26711 1 12 -3 ASP . 26711 1 13 -2 ASP . 26711 1 14 -1 LYS . 26711 1 15 0 ILE . 26711 1 16 1 GLY . 26711 1 17 2 SER . 26711 1 18 3 HIS . 26711 1 19 4 SER . 26711 1 20 5 MET . 26711 1 21 6 ARG . 26711 1 22 7 TYR . 26711 1 23 8 PHE . 26711 1 24 9 HIS . 26711 1 25 10 THR . 26711 1 26 11 SER . 26711 1 27 12 VAL . 26711 1 28 13 SER . 26711 1 29 14 ARG . 26711 1 30 15 PRO . 26711 1 31 16 GLY . 26711 1 32 17 ARG . 26711 1 33 18 GLY . 26711 1 34 19 GLU . 26711 1 35 20 PRO . 26711 1 36 21 ARG . 26711 1 37 22 PHE . 26711 1 38 23 ILE . 26711 1 39 24 THR . 26711 1 40 25 VAL . 26711 1 41 26 GLY . 26711 1 42 27 TYR . 26711 1 43 28 VAL . 26711 1 44 29 ASP . 26711 1 45 30 ASP . 26711 1 46 31 THR . 26711 1 47 32 LEU . 26711 1 48 33 PHE . 26711 1 49 34 VAL . 26711 1 50 35 ARG . 26711 1 51 36 PHE . 26711 1 52 37 ASP . 26711 1 53 38 SER . 26711 1 54 39 ASP . 26711 1 55 40 ALA . 26711 1 56 41 ALA . 26711 1 57 42 SER . 26711 1 58 43 PRO . 26711 1 59 44 ARG . 26711 1 60 45 GLU . 26711 1 61 46 GLU . 26711 1 62 47 PRO . 26711 1 63 48 ARG . 26711 1 64 49 ALA . 26711 1 65 50 PRO . 26711 1 66 51 TRP . 26711 1 67 52 ILE . 26711 1 68 53 GLU . 26711 1 69 54 GLN . 26711 1 70 55 GLU . 26711 1 71 56 GLY . 26711 1 72 57 PRO . 26711 1 73 58 GLU . 26711 1 74 59 TYR . 26711 1 75 60 TRP . 26711 1 76 61 ASP . 26711 1 77 62 ARG . 26711 1 78 63 GLU . 26711 1 79 64 THR . 26711 1 80 65 GLN . 26711 1 81 66 ILE . 26711 1 82 67 CYS . 26711 1 83 68 LYS . 26711 1 84 69 ALA . 26711 1 85 70 LYS . 26711 1 86 71 ALA . 26711 1 87 72 GLN . 26711 1 88 73 THR . 26711 1 89 74 ASP . 26711 1 90 75 ARG . 26711 1 91 76 GLU . 26711 1 92 77 ASP . 26711 1 93 78 LEU . 26711 1 94 79 ARG . 26711 1 95 80 THR . 26711 1 96 81 LEU . 26711 1 97 82 LEU . 26711 1 98 83 ARG . 26711 1 99 84 TYR . 26711 1 100 85 TYR . 26711 1 101 86 ASN . 26711 1 102 87 GLN . 26711 1 103 88 SER . 26711 1 104 89 GLU . 26711 1 105 90 ALA . 26711 1 106 91 GLY . 26711 1 107 92 SER . 26711 1 108 93 HIS . 26711 1 109 94 THR . 26711 1 110 95 LEU . 26711 1 111 96 GLN . 26711 1 112 97 ASN . 26711 1 113 98 MET . 26711 1 114 99 TYR . 26711 1 115 100 GLY . 26711 1 116 101 CYS . 26711 1 117 102 ASP . 26711 1 118 103 VAL . 26711 1 119 104 GLY . 26711 1 120 105 PRO . 26711 1 121 106 ASP . 26711 1 122 107 GLY . 26711 1 123 108 ARG . 26711 1 124 109 LEU . 26711 1 125 110 LEU . 26711 1 126 111 ARG . 26711 1 127 112 GLY . 26711 1 128 113 TYR . 26711 1 129 114 HIS . 26711 1 130 115 GLN . 26711 1 131 116 ASP . 26711 1 132 117 ALA . 26711 1 133 118 TYR . 26711 1 134 119 ASP . 26711 1 135 120 GLY . 26711 1 136 121 LYS . 26711 1 137 122 ASP . 26711 1 138 123 TYR . 26711 1 139 124 ILE . 26711 1 140 125 ALA . 26711 1 141 126 LEU . 26711 1 142 127 ASN . 26711 1 143 128 GLU . 26711 1 144 129 ASP . 26711 1 145 130 LEU . 26711 1 146 131 SER . 26711 1 147 132 SER . 26711 1 148 133 TRP . 26711 1 149 134 THR . 26711 1 150 135 ALA . 26711 1 151 136 ALA . 26711 1 152 137 ASP . 26711 1 153 138 THR . 26711 1 154 139 ALA . 26711 1 155 140 ALA . 26711 1 156 141 GLN . 26711 1 157 142 ILE . 26711 1 158 143 THR . 26711 1 159 144 GLN . 26711 1 160 145 ARG . 26711 1 161 146 LYS . 26711 1 162 147 TRP . 26711 1 163 148 GLU . 26711 1 164 149 ALA . 26711 1 165 150 ALA . 26711 1 166 151 ARG . 26711 1 167 152 VAL . 26711 1 168 153 ALA . 26711 1 169 154 GLU . 26711 1 170 155 GLN . 26711 1 171 156 LEU . 26711 1 172 157 ARG . 26711 1 173 158 ALA . 26711 1 174 159 TYR . 26711 1 175 160 LEU . 26711 1 176 161 GLU . 26711 1 177 162 GLY . 26711 1 178 163 GLU . 26711 1 179 164 CYS . 26711 1 180 165 VAL . 26711 1 181 166 GLU . 26711 1 182 167 TRP . 26711 1 183 168 LEU . 26711 1 184 169 ARG . 26711 1 185 170 ARG . 26711 1 186 171 TYR . 26711 1 187 172 LEU . 26711 1 188 173 GLU . 26711 1 189 174 ASN . 26711 1 190 175 GLY . 26711 1 191 176 LYS . 26711 1 192 177 GLU . 26711 1 193 178 THR . 26711 1 194 179 LEU . 26711 1 195 180 GLN . 26711 1 196 181 ARG . 26711 1 197 182 ALA . 26711 1 198 183 ASP . 26711 1 199 184 PRO . 26711 1 200 185 PRO . 26711 1 201 186 LYS . 26711 1 202 187 THR . 26711 1 203 188 HIS . 26711 1 204 189 VAL . 26711 1 205 190 THR . 26711 1 206 191 HIS . 26711 1 207 192 HIS . 26711 1 208 193 PRO . 26711 1 209 194 ILE . 26711 1 210 195 SER . 26711 1 211 196 ASP . 26711 1 212 197 HIS . 26711 1 213 198 GLU . 26711 1 214 199 ALA . 26711 1 215 200 THR . 26711 1 216 201 LEU . 26711 1 217 202 ARG . 26711 1 218 203 CYS . 26711 1 219 204 TRP . 26711 1 220 205 ALA . 26711 1 221 206 LEU . 26711 1 222 207 GLY . 26711 1 223 208 PHE . 26711 1 224 209 TYR . 26711 1 225 210 PRO . 26711 1 226 211 ALA . 26711 1 227 212 GLU . 26711 1 228 213 ILE . 26711 1 229 214 THR . 26711 1 230 215 LEU . 26711 1 231 216 THR . 26711 1 232 217 TRP . 26711 1 233 218 GLN . 26711 1 234 219 ARG . 26711 1 235 220 ASP . 26711 1 236 221 GLY . 26711 1 237 222 GLU . 26711 1 238 223 ASP . 26711 1 239 224 GLN . 26711 1 240 225 THR . 26711 1 241 226 GLN . 26711 1 242 227 ASP . 26711 1 243 228 THR . 26711 1 244 229 GLU . 26711 1 245 230 LEU . 26711 1 246 231 VAL . 26711 1 247 232 GLU . 26711 1 248 233 THR . 26711 1 249 234 ARG . 26711 1 250 235 PRO . 26711 1 251 236 ALA . 26711 1 252 237 GLY . 26711 1 253 238 ASP . 26711 1 254 239 ARG . 26711 1 255 240 THR . 26711 1 256 241 PHE . 26711 1 257 242 GLN . 26711 1 258 243 LYS . 26711 1 259 244 TRP . 26711 1 260 245 ALA . 26711 1 261 246 ALA . 26711 1 262 247 VAL . 26711 1 263 248 VAL . 26711 1 264 249 VAL . 26711 1 265 250 PRO . 26711 1 266 251 SER . 26711 1 267 252 GLY . 26711 1 268 253 GLU . 26711 1 269 254 GLU . 26711 1 270 255 GLN . 26711 1 271 256 ARG . 26711 1 272 257 TYR . 26711 1 273 258 THR . 26711 1 274 259 CYS . 26711 1 275 260 HIS . 26711 1 276 261 VAL . 26711 1 277 262 GLN . 26711 1 278 263 HIS . 26711 1 279 264 GLU . 26711 1 280 265 GLY . 26711 1 281 266 LEU . 26711 1 282 267 PRO . 26711 1 283 268 LYS . 26711 1 284 269 PRO . 26711 1 285 270 LEU . 26711 1 286 271 THR . 26711 1 287 272 LEU . 26711 1 288 273 ARG . 26711 1 289 274 TRP . 26711 1 290 275 GLU . 26711 1 291 276 PRO . 26711 1 292 277 SER . 26711 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 26711 1 . ALA 2 2 26711 1 . HIS 3 3 26711 1 . HIS 4 4 26711 1 . HIS 5 5 26711 1 . HIS 6 6 26711 1 . HIS 7 7 26711 1 . HIS 8 8 26711 1 . VAL 9 9 26711 1 . ASP 10 10 26711 1 . ASP 11 11 26711 1 . ASP 12 12 26711 1 . ASP 13 13 26711 1 . LYS 14 14 26711 1 . ILE 15 15 26711 1 . GLY 16 16 26711 1 . SER 17 17 26711 1 . HIS 18 18 26711 1 . SER 19 19 26711 1 . MET 20 20 26711 1 . ARG 21 21 26711 1 . TYR 22 22 26711 1 . PHE 23 23 26711 1 . HIS 24 24 26711 1 . THR 25 25 26711 1 . SER 26 26 26711 1 . VAL 27 27 26711 1 . SER 28 28 26711 1 . ARG 29 29 26711 1 . PRO 30 30 26711 1 . GLY 31 31 26711 1 . ARG 32 32 26711 1 . GLY 33 33 26711 1 . GLU 34 34 26711 1 . PRO 35 35 26711 1 . ARG 36 36 26711 1 . PHE 37 37 26711 1 . ILE 38 38 26711 1 . THR 39 39 26711 1 . VAL 40 40 26711 1 . GLY 41 41 26711 1 . TYR 42 42 26711 1 . VAL 43 43 26711 1 . ASP 44 44 26711 1 . ASP 45 45 26711 1 . THR 46 46 26711 1 . LEU 47 47 26711 1 . PHE 48 48 26711 1 . VAL 49 49 26711 1 . ARG 50 50 26711 1 . PHE 51 51 26711 1 . ASP 52 52 26711 1 . SER 53 53 26711 1 . ASP 54 54 26711 1 . ALA 55 55 26711 1 . ALA 56 56 26711 1 . SER 57 57 26711 1 . PRO 58 58 26711 1 . ARG 59 59 26711 1 . GLU 60 60 26711 1 . GLU 61 61 26711 1 . PRO 62 62 26711 1 . ARG 63 63 26711 1 . ALA 64 64 26711 1 . PRO 65 65 26711 1 . TRP 66 66 26711 1 . ILE 67 67 26711 1 . GLU 68 68 26711 1 . GLN 69 69 26711 1 . GLU 70 70 26711 1 . GLY 71 71 26711 1 . PRO 72 72 26711 1 . GLU 73 73 26711 1 . TYR 74 74 26711 1 . TRP 75 75 26711 1 . ASP 76 76 26711 1 . ARG 77 77 26711 1 . GLU 78 78 26711 1 . THR 79 79 26711 1 . GLN 80 80 26711 1 . ILE 81 81 26711 1 . CYS 82 82 26711 1 . LYS 83 83 26711 1 . ALA 84 84 26711 1 . LYS 85 85 26711 1 . ALA 86 86 26711 1 . GLN 87 87 26711 1 . THR 88 88 26711 1 . ASP 89 89 26711 1 . ARG 90 90 26711 1 . GLU 91 91 26711 1 . ASP 92 92 26711 1 . LEU 93 93 26711 1 . ARG 94 94 26711 1 . THR 95 95 26711 1 . LEU 96 96 26711 1 . LEU 97 97 26711 1 . ARG 98 98 26711 1 . TYR 99 99 26711 1 . TYR 100 100 26711 1 . ASN 101 101 26711 1 . GLN 102 102 26711 1 . SER 103 103 26711 1 . GLU 104 104 26711 1 . ALA 105 105 26711 1 . GLY 106 106 26711 1 . SER 107 107 26711 1 . HIS 108 108 26711 1 . THR 109 109 26711 1 . LEU 110 110 26711 1 . GLN 111 111 26711 1 . ASN 112 112 26711 1 . MET 113 113 26711 1 . TYR 114 114 26711 1 . GLY 115 115 26711 1 . CYS 116 116 26711 1 . ASP 117 117 26711 1 . VAL 118 118 26711 1 . GLY 119 119 26711 1 . PRO 120 120 26711 1 . ASP 121 121 26711 1 . GLY 122 122 26711 1 . ARG 123 123 26711 1 . LEU 124 124 26711 1 . LEU 125 125 26711 1 . ARG 126 126 26711 1 . GLY 127 127 26711 1 . TYR 128 128 26711 1 . HIS 129 129 26711 1 . GLN 130 130 26711 1 . ASP 131 131 26711 1 . ALA 132 132 26711 1 . TYR 133 133 26711 1 . ASP 134 134 26711 1 . GLY 135 135 26711 1 . LYS 136 136 26711 1 . ASP 137 137 26711 1 . TYR 138 138 26711 1 . ILE 139 139 26711 1 . ALA 140 140 26711 1 . LEU 141 141 26711 1 . ASN 142 142 26711 1 . GLU 143 143 26711 1 . ASP 144 144 26711 1 . LEU 145 145 26711 1 . SER 146 146 26711 1 . SER 147 147 26711 1 . TRP 148 148 26711 1 . THR 149 149 26711 1 . ALA 150 150 26711 1 . ALA 151 151 26711 1 . ASP 152 152 26711 1 . THR 153 153 26711 1 . ALA 154 154 26711 1 . ALA 155 155 26711 1 . GLN 156 156 26711 1 . ILE 157 157 26711 1 . THR 158 158 26711 1 . GLN 159 159 26711 1 . ARG 160 160 26711 1 . LYS 161 161 26711 1 . TRP 162 162 26711 1 . GLU 163 163 26711 1 . ALA 164 164 26711 1 . ALA 165 165 26711 1 . ARG 166 166 26711 1 . VAL 167 167 26711 1 . ALA 168 168 26711 1 . GLU 169 169 26711 1 . GLN 170 170 26711 1 . LEU 171 171 26711 1 . ARG 172 172 26711 1 . ALA 173 173 26711 1 . TYR 174 174 26711 1 . LEU 175 175 26711 1 . GLU 176 176 26711 1 . GLY 177 177 26711 1 . GLU 178 178 26711 1 . CYS 179 179 26711 1 . VAL 180 180 26711 1 . GLU 181 181 26711 1 . TRP 182 182 26711 1 . LEU 183 183 26711 1 . ARG 184 184 26711 1 . ARG 185 185 26711 1 . TYR 186 186 26711 1 . LEU 187 187 26711 1 . GLU 188 188 26711 1 . ASN 189 189 26711 1 . GLY 190 190 26711 1 . LYS 191 191 26711 1 . GLU 192 192 26711 1 . THR 193 193 26711 1 . LEU 194 194 26711 1 . GLN 195 195 26711 1 . ARG 196 196 26711 1 . ALA 197 197 26711 1 . ASP 198 198 26711 1 . PRO 199 199 26711 1 . PRO 200 200 26711 1 . LYS 201 201 26711 1 . THR 202 202 26711 1 . HIS 203 203 26711 1 . VAL 204 204 26711 1 . THR 205 205 26711 1 . HIS 206 206 26711 1 . HIS 207 207 26711 1 . PRO 208 208 26711 1 . ILE 209 209 26711 1 . SER 210 210 26711 1 . ASP 211 211 26711 1 . HIS 212 212 26711 1 . GLU 213 213 26711 1 . ALA 214 214 26711 1 . THR 215 215 26711 1 . LEU 216 216 26711 1 . ARG 217 217 26711 1 . CYS 218 218 26711 1 . TRP 219 219 26711 1 . ALA 220 220 26711 1 . LEU 221 221 26711 1 . GLY 222 222 26711 1 . PHE 223 223 26711 1 . TYR 224 224 26711 1 . PRO 225 225 26711 1 . ALA 226 226 26711 1 . GLU 227 227 26711 1 . ILE 228 228 26711 1 . THR 229 229 26711 1 . LEU 230 230 26711 1 . THR 231 231 26711 1 . TRP 232 232 26711 1 . GLN 233 233 26711 1 . ARG 234 234 26711 1 . ASP 235 235 26711 1 . GLY 236 236 26711 1 . GLU 237 237 26711 1 . ASP 238 238 26711 1 . GLN 239 239 26711 1 . THR 240 240 26711 1 . GLN 241 241 26711 1 . ASP 242 242 26711 1 . THR 243 243 26711 1 . GLU 244 244 26711 1 . LEU 245 245 26711 1 . VAL 246 246 26711 1 . GLU 247 247 26711 1 . THR 248 248 26711 1 . ARG 249 249 26711 1 . PRO 250 250 26711 1 . ALA 251 251 26711 1 . GLY 252 252 26711 1 . ASP 253 253 26711 1 . ARG 254 254 26711 1 . THR 255 255 26711 1 . PHE 256 256 26711 1 . GLN 257 257 26711 1 . LYS 258 258 26711 1 . TRP 259 259 26711 1 . ALA 260 260 26711 1 . ALA 261 261 26711 1 . VAL 262 262 26711 1 . VAL 263 263 26711 1 . VAL 264 264 26711 1 . PRO 265 265 26711 1 . SER 266 266 26711 1 . GLY 267 267 26711 1 . GLU 268 268 26711 1 . GLU 269 269 26711 1 . GLN 270 270 26711 1 . ARG 271 271 26711 1 . TYR 272 272 26711 1 . THR 273 273 26711 1 . CYS 274 274 26711 1 . HIS 275 275 26711 1 . VAL 276 276 26711 1 . GLN 277 277 26711 1 . HIS 278 278 26711 1 . GLU 279 279 26711 1 . GLY 280 280 26711 1 . LEU 281 281 26711 1 . PRO 282 282 26711 1 . LYS 283 283 26711 1 . PRO 284 284 26711 1 . LEU 285 285 26711 1 . THR 286 286 26711 1 . LEU 287 287 26711 1 . ARG 288 288 26711 1 . TRP 289 289 26711 1 . GLU 290 290 26711 1 . PRO 291 291 26711 1 . SER 292 292 26711 1 stop_ save_ save_1w0v-hkca_mol2 _Entity.Sf_category entity _Entity.Sf_framecode 1w0v-hkca_mol2 _Entity.Entry_ID 26711 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 1w0v-hkca_mol2 _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 ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 0, M 1, I 2, Q ...... 97, R 98, D 99, M ; _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 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'human beta-2 microglobulin' _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 0 MET . 26711 2 2 1 ILE . 26711 2 3 2 GLN . 26711 2 4 3 ARG . 26711 2 5 4 THR . 26711 2 6 5 PRO . 26711 2 7 6 LYS . 26711 2 8 7 ILE . 26711 2 9 8 GLN . 26711 2 10 9 VAL . 26711 2 11 10 TYR . 26711 2 12 11 SER . 26711 2 13 12 ARG . 26711 2 14 13 HIS . 26711 2 15 14 PRO . 26711 2 16 15 ALA . 26711 2 17 16 GLU . 26711 2 18 17 ASN . 26711 2 19 18 GLY . 26711 2 20 19 LYS . 26711 2 21 20 SER . 26711 2 22 21 ASN . 26711 2 23 22 PHE . 26711 2 24 23 LEU . 26711 2 25 24 ASN . 26711 2 26 25 CYS . 26711 2 27 26 TYR . 26711 2 28 27 VAL . 26711 2 29 28 SER . 26711 2 30 29 GLY . 26711 2 31 30 PHE . 26711 2 32 31 HIS . 26711 2 33 32 PRO . 26711 2 34 33 SER . 26711 2 35 34 ASP . 26711 2 36 35 ILE . 26711 2 37 36 GLU . 26711 2 38 37 VAL . 26711 2 39 38 ASP . 26711 2 40 39 LEU . 26711 2 41 40 LEU . 26711 2 42 41 LYS . 26711 2 43 42 ASN . 26711 2 44 43 GLY . 26711 2 45 44 GLU . 26711 2 46 45 ARG . 26711 2 47 46 ILE . 26711 2 48 47 GLU . 26711 2 49 48 LYS . 26711 2 50 49 VAL . 26711 2 51 50 GLU . 26711 2 52 51 HIS . 26711 2 53 52 SER . 26711 2 54 53 ASP . 26711 2 55 54 LEU . 26711 2 56 55 SER . 26711 2 57 56 PHE . 26711 2 58 57 SER . 26711 2 59 58 LYS . 26711 2 60 59 ASP . 26711 2 61 60 TRP . 26711 2 62 61 SER . 26711 2 63 62 PHE . 26711 2 64 63 TYR . 26711 2 65 64 LEU . 26711 2 66 65 LEU . 26711 2 67 66 TYR . 26711 2 68 67 TYR . 26711 2 69 68 THR . 26711 2 70 69 GLU . 26711 2 71 70 PHE . 26711 2 72 71 THR . 26711 2 73 72 PRO . 26711 2 74 73 THR . 26711 2 75 74 GLU . 26711 2 76 75 LYS . 26711 2 77 76 ASP . 26711 2 78 77 GLU . 26711 2 79 78 TYR . 26711 2 80 79 ALA . 26711 2 81 80 CYS . 26711 2 82 81 ARG . 26711 2 83 82 VAL . 26711 2 84 83 ASN . 26711 2 85 84 HIS . 26711 2 86 85 VAL . 26711 2 87 86 THR . 26711 2 88 87 LEU . 26711 2 89 88 SER . 26711 2 90 89 GLN . 26711 2 91 90 PRO . 26711 2 92 91 LYS . 26711 2 93 92 ILE . 26711 2 94 93 VAL . 26711 2 95 94 LYS . 26711 2 96 95 TRP . 26711 2 97 96 ASP . 26711 2 98 97 ARG . 26711 2 99 98 ASP . 26711 2 100 99 MET . 26711 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 26711 2 . ILE 2 2 26711 2 . GLN 3 3 26711 2 . ARG 4 4 26711 2 . THR 5 5 26711 2 . PRO 6 6 26711 2 . LYS 7 7 26711 2 . ILE 8 8 26711 2 . GLN 9 9 26711 2 . VAL 10 10 26711 2 . TYR 11 11 26711 2 . SER 12 12 26711 2 . ARG 13 13 26711 2 . HIS 14 14 26711 2 . PRO 15 15 26711 2 . ALA 16 16 26711 2 . GLU 17 17 26711 2 . ASN 18 18 26711 2 . GLY 19 19 26711 2 . LYS 20 20 26711 2 . SER 21 21 26711 2 . ASN 22 22 26711 2 . PHE 23 23 26711 2 . LEU 24 24 26711 2 . ASN 25 25 26711 2 . CYS 26 26 26711 2 . TYR 27 27 26711 2 . VAL 28 28 26711 2 . SER 29 29 26711 2 . GLY 30 30 26711 2 . PHE 31 31 26711 2 . HIS 32 32 26711 2 . PRO 33 33 26711 2 . SER 34 34 26711 2 . ASP 35 35 26711 2 . ILE 36 36 26711 2 . GLU 37 37 26711 2 . VAL 38 38 26711 2 . ASP 39 39 26711 2 . LEU 40 40 26711 2 . LEU 41 41 26711 2 . LYS 42 42 26711 2 . ASN 43 43 26711 2 . GLY 44 44 26711 2 . GLU 45 45 26711 2 . ARG 46 46 26711 2 . ILE 47 47 26711 2 . GLU 48 48 26711 2 . LYS 49 49 26711 2 . VAL 50 50 26711 2 . GLU 51 51 26711 2 . HIS 52 52 26711 2 . SER 53 53 26711 2 . ASP 54 54 26711 2 . LEU 55 55 26711 2 . SER 56 56 26711 2 . PHE 57 57 26711 2 . SER 58 58 26711 2 . LYS 59 59 26711 2 . ASP 60 60 26711 2 . TRP 61 61 26711 2 . SER 62 62 26711 2 . PHE 63 63 26711 2 . TYR 64 64 26711 2 . LEU 65 65 26711 2 . LEU 66 66 26711 2 . TYR 67 67 26711 2 . TYR 68 68 26711 2 . THR 69 69 26711 2 . GLU 70 70 26711 2 . PHE 71 71 26711 2 . THR 72 72 26711 2 . PRO 73 73 26711 2 . THR 74 74 26711 2 . GLU 75 75 26711 2 . LYS 76 76 26711 2 . ASP 77 77 26711 2 . GLU 78 78 26711 2 . TYR 79 79 26711 2 . ALA 80 80 26711 2 . CYS 81 81 26711 2 . ARG 82 82 26711 2 . VAL 83 83 26711 2 . ASN 84 84 26711 2 . HIS 85 85 26711 2 . VAL 86 86 26711 2 . THR 87 87 26711 2 . LEU 88 88 26711 2 . SER 89 89 26711 2 . GLN 90 90 26711 2 . PRO 91 91 26711 2 . LYS 92 92 26711 2 . ILE 93 93 26711 2 . VAL 94 94 26711 2 . LYS 95 95 26711 2 . TRP 96 96 26711 2 . ASP 97 97 26711 2 . ARG 98 98 26711 2 . ASP 99 99 26711 2 . MET 100 100 26711 2 stop_ save_ save_1w0v-hkca_mol3 _Entity.Sf_category entity _Entity.Sf_framecode 1w0v-hkca_mol3 _Entity.Entry_ID 26711 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 1w0v-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 ; RRLPIFSRL ; _Entity.Polymer_seq_one_letter_code ; RRLPIFSRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This antigen is derived from epidermal growth factor response factor 1.' _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 TIS _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 . 26711 3 2 . ARG . 26711 3 3 . LEU . 26711 3 4 . PRO . 26711 3 5 . ILE . 26711 3 6 . PHE . 26711 3 7 . SER . 26711 3 8 . ARG . 26711 3 9 . LEU . 26711 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 26711 3 . ARG 2 2 26711 3 . LEU 3 3 26711 3 . PRO 4 4 26711 3 . ILE 5 5 26711 3 . PHE 6 6 26711 3 . SER 7 7 26711 3 . ARG 8 8 26711 3 . LEU 9 9 26711 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 26711 _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 $1w0v-hkca_mol1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26711 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 26711 _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 $1w0v-hkca_mol1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) Rosetta2 . . . . 'pET 46 Ek/LIC' . . . 26711 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26711 _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 1w0v-hkca_mol1 '[U-15N; U-2H]' . . 1 $1w0v-hkca_mol1 . . 0.330 . . mM . . . . 26711 1 2 1w0v-hkca_mol2 'natural abundance' . . 2 $1w0v-hkca_mol2 . . 0.330 . . mM . . . . 26711 1 3 1w0v-hkca_mol3 'natural abundance' . . 3 $1w0v-hkca_mol3 . . 0.330 . . mM . . . . 26711 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26711 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26711 1 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26711 1 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26711 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26711 _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 1w0v-hkca_mol1 [U-2H] . . 1 $1w0v-hkca_mol1 . . 0.330 . . mM . . . . 26711 2 2 1w0v-hkca_mol2 [U-15N] . . 2 $1w0v-hkca_mol2 . . 0.330 . . mM . . . . 26711 2 3 1w0v-hkca_mol3 'natural abundance' . . 3 $1w0v-hkca_mol3 . . 0.330 . . mM . . . . 26711 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26711 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26711 2 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26711 2 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26711 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 26711 _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 26711 1 pH 7.5 . pH 26711 1 pressure 1 . atm 26711 1 temperature 310 . K 26711 1 stop_ save_ ############################ # Computer software used # ############################ save_relax _Software.Sf_category software _Software.Sf_framecode relax _Software.Entry_ID 26711 _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 26711 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 26711 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 26711 _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 26711 _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 26711 _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 . . 26711 1 2 spectrometer_2 Bruker Avance 750 750 750 . . 26711 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 26711 _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 . . . . . . . . . . . . . . . . 26711 1 2 '600.18 MHz R2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26711 1 3 '600.18 MHz steady-state NOE' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26711 1 4 '750.46 MHz R1' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26711 1 5 '750.46 MHz R2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26711 1 6 '750.46 MHz steady-state NOE' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26711 1 7 '600.18 MHz R1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26711 1 8 '600.18 MHz R2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26711 1 9 '600.18 MHz steady-state NOE' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26711 1 10 '750.46 MHz R1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26711 1 11 '750.46 MHz R2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26711 1 12 '750.46 MHz steady-state NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26711 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 26711 _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 10 '750.46 MHz R1' 2 $sample_2 . 26711 1 11 '750.46 MHz R2' 2 $sample_2 . 26711 1 12 '750.46 MHz steady-state NOE' 2 $sample_2 . 26711 1 7 '600.18 MHz R1' 2 $sample_2 . 26711 1 8 '600.18 MHz R2' 2 $sample_2 . 26711 1 9 '600.18 MHz steady-state NOE' 2 $sample_2 . 26711 1 stop_ loop_ _CS_anisotropy_software.Software_ID _CS_anisotropy_software.Software_label _CS_anisotropy_software.Method_ID _CS_anisotropy_software.Method_label _CS_anisotropy_software.Entry_ID _CS_anisotropy_software.Chem_shift_anisotropy_ID 1 $relax . . 26711 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 . . . . . . . . . . . . . 26711 1 2 . 2 2 8 8 ILE N N 15 -172.0 . . . . . . . . . . . . . 26711 1 3 . 2 2 9 9 GLN N N 15 -172.0 . . . . . . . . . . . . . 26711 1 4 . 2 2 12 12 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 1 5 . 2 2 13 13 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 1 6 . 2 2 14 14 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 7 . 2 2 17 17 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 8 . 2 2 19 19 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 1 9 . 2 2 20 20 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 10 . 2 2 23 23 PHE N N 15 -172.0 . . . . . . . . . . . . . 26711 1 11 . 2 2 25 25 ASN N N 15 -172.0 . . . . . . . . . . . . . 26711 1 12 . 2 2 26 26 CYS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 13 . 2 2 27 27 TYR N N 15 -172.0 . . . . . . . . . . . . . 26711 1 14 . 2 2 29 29 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 1 15 . 2 2 30 30 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 1 16 . 2 2 31 31 PHE N N 15 -172.0 . . . . . . . . . . . . . 26711 1 17 . 2 2 34 34 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 1 18 . 2 2 35 35 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 1 19 . 2 2 37 37 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 20 . 2 2 38 38 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 1 21 . 2 2 40 40 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 22 . 2 2 41 41 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 23 . 2 2 43 43 ASN N N 15 -172.0 . . . . . . . . . . . . . 26711 1 24 . 2 2 44 44 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 1 25 . 2 2 45 45 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 26 . 2 2 46 46 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 1 27 . 2 2 47 47 ILE N N 15 -172.0 . . . . . . . . . . . . . 26711 1 28 . 2 2 48 48 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 29 . 2 2 49 49 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 30 . 2 2 51 51 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 31 . 2 2 52 52 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 32 . 2 2 53 53 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 1 33 . 2 2 54 54 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 1 34 . 2 2 55 55 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 35 . 2 2 56 56 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 1 36 . 2 2 57 57 PHE N N 15 -172.0 . . . . . . . . . . . . . 26711 1 37 . 2 2 58 58 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 1 38 . 2 2 60 60 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 1 39 . 2 2 61 61 TRP N N 15 -172.0 . . . . . . . . . . . . . 26711 1 40 . 2 2 61 61 TRP NE1 N 15 -172.0 . . . . . . . . . . . . . 26711 1 41 . 2 2 62 62 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 1 42 . 2 2 63 63 PHE N N 15 -172.0 . . . . . . . . . . . . . 26711 1 43 . 2 2 64 64 TYR N N 15 -172.0 . . . . . . . . . . . . . 26711 1 44 . 2 2 65 65 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 45 . 2 2 66 66 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 46 . 2 2 67 67 TYR N N 15 -172.0 . . . . . . . . . . . . . 26711 1 47 . 2 2 68 68 TYR N N 15 -172.0 . . . . . . . . . . . . . 26711 1 48 . 2 2 69 69 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 1 49 . 2 2 70 70 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 50 . 2 2 71 71 PHE N N 15 -172.0 . . . . . . . . . . . . . 26711 1 51 . 2 2 72 72 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 1 52 . 2 2 74 74 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 1 53 . 2 2 75 75 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 54 . 2 2 76 76 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 55 . 2 2 77 77 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 1 56 . 2 2 79 79 TYR N N 15 -172.0 . . . . . . . . . . . . . 26711 1 57 . 2 2 81 81 CYS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 58 . 2 2 82 82 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 1 59 . 2 2 83 83 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 1 60 . 2 2 84 84 ASN N N 15 -172.0 . . . . . . . . . . . . . 26711 1 61 . 2 2 85 85 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 62 . 2 2 86 86 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 1 63 . 2 2 87 87 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 1 64 . 2 2 88 88 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 1 65 . 2 2 90 90 GLN N N 15 -172.0 . . . . . . . . . . . . . 26711 1 66 . 2 2 92 92 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 67 . 2 2 93 93 ILE N N 15 -172.0 . . . . . . . . . . . . . 26711 1 68 . 2 2 94 94 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 1 69 . 2 2 95 95 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 1 70 . 2 2 96 96 TRP N N 15 -172.0 . . . . . . . . . . . . . 26711 1 71 . 2 2 96 96 TRP NE1 N 15 -172.0 . . . . . . . . . . . . . 26711 1 72 . 2 2 97 97 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 1 73 . 2 2 98 98 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 1 74 . 2 2 99 99 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 1 75 . 2 2 100 100 MET N N 15 -172.0 . . . . . . . . . . . . . 26711 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 26711 _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 10 '750.46 MHz R1' 2 $sample_2 . 26711 2 11 '750.46 MHz R2' 2 $sample_2 . 26711 2 12 '750.46 MHz steady-state NOE' 2 $sample_2 . 26711 2 7 '600.18 MHz R1' 2 $sample_2 . 26711 2 8 '600.18 MHz R2' 2 $sample_2 . 26711 2 9 '600.18 MHz steady-state NOE' 2 $sample_2 . 26711 2 stop_ loop_ _CS_anisotropy_software.Software_ID _CS_anisotropy_software.Software_label _CS_anisotropy_software.Method_ID _CS_anisotropy_software.Method_label _CS_anisotropy_software.Entry_ID _CS_anisotropy_software.Chem_shift_anisotropy_ID 1 $relax . . 26711 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 1 201 201 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 2 2 . 1 1 202 202 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 2 3 . 1 1 203 203 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 2 4 . 1 1 205 205 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 2 5 . 1 1 206 206 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 2 6 . 1 1 209 209 ILE N N 15 -172.0 . . . . . . . . . . . . . 26711 2 7 . 1 1 210 210 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 2 8 . 1 1 212 212 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 2 9 . 1 1 213 213 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 2 10 . 1 1 214 214 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 2 11 . 1 1 215 215 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 2 12 . 1 1 218 218 CYS N N 15 -172.0 . . . . . . . . . . . . . 26711 2 13 . 1 1 219 219 TRP N N 15 -172.0 . . . . . . . . . . . . . 26711 2 14 . 1 1 220 220 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 2 15 . 1 1 222 222 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 2 16 . 1 1 228 228 ILE N N 15 -172.0 . . . . . . . . . . . . . 26711 2 17 . 1 1 230 230 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 2 18 . 1 1 231 231 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 2 19 . 1 1 232 232 TRP N N 15 -172.0 . . . . . . . . . . . . . 26711 2 20 . 1 1 233 233 GLN N N 15 -172.0 . . . . . . . . . . . . . 26711 2 21 . 1 1 234 234 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 2 22 . 1 1 235 235 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 2 23 . 1 1 236 236 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 2 24 . 1 1 237 237 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 2 25 . 1 1 242 242 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 2 26 . 1 1 243 243 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 2 27 . 1 1 244 244 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 2 28 . 1 1 245 245 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 2 29 . 1 1 246 246 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 2 30 . 1 1 247 247 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 2 31 . 1 1 249 249 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 2 32 . 1 1 251 251 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 2 33 . 1 1 252 252 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 2 34 . 1 1 253 253 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 2 35 . 1 1 255 255 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 2 36 . 1 1 256 256 PHE N N 15 -172.0 . . . . . . . . . . . . . 26711 2 37 . 1 1 257 257 GLN N N 15 -172.0 . . . . . . . . . . . . . 26711 2 38 . 1 1 259 259 TRP N N 15 -172.0 . . . . . . . . . . . . . 26711 2 39 . 1 1 260 260 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 2 40 . 1 1 261 261 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 2 41 . 1 1 263 263 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 2 42 . 1 1 266 266 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 2 43 . 1 1 267 267 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 2 44 . 1 1 269 269 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 2 45 . 1 1 270 270 GLN N N 15 -172.0 . . . . . . . . . . . . . 26711 2 46 . 1 1 272 272 TYR N N 15 -172.0 . . . . . . . . . . . . . 26711 2 47 . 1 1 273 273 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 2 48 . 1 1 274 274 CYS N N 15 -172.0 . . . . . . . . . . . . . 26711 2 49 . 1 1 275 275 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 2 50 . 1 1 276 276 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 2 51 . 1 1 278 278 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 2 52 . 1 1 279 279 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 2 53 . 1 1 280 280 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 2 54 . 1 1 283 283 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 2 55 . 1 1 287 287 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 2 56 . 1 1 288 288 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 2 57 . 1 1 289 289 TRP N N 15 -172.0 . . . . . . . . . . . . . 26711 2 58 . 1 1 290 290 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 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 26711 _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 10 '750.46 MHz R1' 2 $sample_2 . 26711 3 11 '750.46 MHz R2' 2 $sample_2 . 26711 3 12 '750.46 MHz steady-state NOE' 2 $sample_2 . 26711 3 7 '600.18 MHz R1' 2 $sample_2 . 26711 3 8 '600.18 MHz R2' 2 $sample_2 . 26711 3 9 '600.18 MHz steady-state NOE' 2 $sample_2 . 26711 3 stop_ loop_ _CS_anisotropy_software.Software_ID _CS_anisotropy_software.Software_label _CS_anisotropy_software.Method_ID _CS_anisotropy_software.Method_label _CS_anisotropy_software.Entry_ID _CS_anisotropy_software.Chem_shift_anisotropy_ID 1 $relax . . 26711 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 . . . . . . . . . . . . . 26711 3 2 . 1 1 19 19 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 3 3 . 1 1 28 28 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 3 4 . 1 1 31 31 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 5 . 1 1 33 33 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 6 . 1 1 34 34 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 7 . 1 1 36 36 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 8 . 1 1 37 37 PHE N N 15 -172.0 . . . . . . . . . . . . . 26711 3 9 . 1 1 38 38 ILE N N 15 -172.0 . . . . . . . . . . . . . 26711 3 10 . 1 1 40 40 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 3 11 . 1 1 41 41 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 12 . 1 1 44 44 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 13 . 1 1 45 45 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 14 . 1 1 46 46 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 3 15 . 1 1 47 47 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 16 . 1 1 49 49 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 3 17 . 1 1 50 50 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 18 . 1 1 51 51 PHE N N 15 -172.0 . . . . . . . . . . . . . 26711 3 19 . 1 1 52 52 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 20 . 1 1 53 53 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 3 21 . 1 1 54 54 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 22 . 1 1 55 55 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 23 . 1 1 57 57 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 3 24 . 1 1 63 63 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 25 . 1 1 64 64 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 26 . 1 1 66 66 TRP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 27 . 1 1 67 67 ILE N N 15 -172.0 . . . . . . . . . . . . . 26711 3 28 . 1 1 68 68 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 29 . 1 1 70 70 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 30 . 1 1 71 71 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 31 . 1 1 73 73 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 32 . 1 1 74 74 TYR N N 15 -172.0 . . . . . . . . . . . . . 26711 3 33 . 1 1 77 77 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 34 . 1 1 82 82 CYS N N 15 -172.0 . . . . . . . . . . . . . 26711 3 35 . 1 1 83 83 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 3 36 . 1 1 87 87 GLN N N 15 -172.0 . . . . . . . . . . . . . 26711 3 37 . 1 1 90 90 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 38 . 1 1 92 92 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 39 . 1 1 93 93 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 40 . 1 1 94 94 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 41 . 1 1 95 95 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 3 42 . 1 1 96 96 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 43 . 1 1 100 100 TYR N N 15 -172.0 . . . . . . . . . . . . . 26711 3 44 . 1 1 102 102 GLN N N 15 -172.0 . . . . . . . . . . . . . 26711 3 45 . 1 1 106 106 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 46 . 1 1 107 107 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 3 47 . 1 1 108 108 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 3 48 . 1 1 109 109 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 3 49 . 1 1 110 110 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 50 . 1 1 112 112 ASN N N 15 -172.0 . . . . . . . . . . . . . 26711 3 51 . 1 1 115 115 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 52 . 1 1 116 116 CYS N N 15 -172.0 . . . . . . . . . . . . . 26711 3 53 . 1 1 118 118 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 3 54 . 1 1 119 119 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 55 . 1 1 121 121 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 56 . 1 1 122 122 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 57 . 1 1 125 125 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 58 . 1 1 126 126 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 59 . 1 1 127 127 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 60 . 1 1 129 129 HIS N N 15 -172.0 . . . . . . . . . . . . . 26711 3 61 . 1 1 130 130 GLN N N 15 -172.0 . . . . . . . . . . . . . 26711 3 62 . 1 1 132 132 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 63 . 1 1 134 134 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 64 . 1 1 135 135 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 65 . 1 1 137 137 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 66 . 1 1 139 139 ILE N N 15 -172.0 . . . . . . . . . . . . . 26711 3 67 . 1 1 140 140 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 68 . 1 1 141 141 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 69 . 1 1 143 143 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 70 . 1 1 144 144 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 71 . 1 1 145 145 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 72 . 1 1 146 146 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 3 73 . 1 1 147 147 SER N N 15 -172.0 . . . . . . . . . . . . . 26711 3 74 . 1 1 149 149 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 3 75 . 1 1 150 150 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 76 . 1 1 151 151 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 77 . 1 1 152 152 ASP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 78 . 1 1 153 153 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 3 79 . 1 1 154 154 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 80 . 1 1 155 155 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 81 . 1 1 156 156 GLN N N 15 -172.0 . . . . . . . . . . . . . 26711 3 82 . 1 1 157 157 ILE N N 15 -172.0 . . . . . . . . . . . . . 26711 3 83 . 1 1 158 158 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 3 84 . 1 1 160 160 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 85 . 1 1 161 161 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 3 86 . 1 1 162 162 TRP N N 15 -172.0 . . . . . . . . . . . . . 26711 3 87 . 1 1 163 163 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 88 . 1 1 165 165 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 89 . 1 1 166 166 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 90 . 1 1 167 167 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 3 91 . 1 1 168 168 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 92 . 1 1 172 172 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 93 . 1 1 173 173 ALA N N 15 -172.0 . . . . . . . . . . . . . 26711 3 94 . 1 1 175 175 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 95 . 1 1 176 176 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 96 . 1 1 177 177 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 97 . 1 1 178 178 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 98 . 1 1 179 179 CYS N N 15 -172.0 . . . . . . . . . . . . . 26711 3 99 . 1 1 180 180 VAL N N 15 -172.0 . . . . . . . . . . . . . 26711 3 100 . 1 1 184 184 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 101 . 1 1 185 185 ARG N N 15 -172.0 . . . . . . . . . . . . . 26711 3 102 . 1 1 187 187 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 103 . 1 1 190 190 GLY N N 15 -172.0 . . . . . . . . . . . . . 26711 3 104 . 1 1 191 191 LYS N N 15 -172.0 . . . . . . . . . . . . . 26711 3 105 . 1 1 192 192 GLU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 106 . 1 1 193 193 THR N N 15 -172.0 . . . . . . . . . . . . . 26711 3 107 . 1 1 194 194 LEU N N 15 -172.0 . . . . . . . . . . . . . 26711 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_hetNOE_b2m _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_b2m _Heteronucl_NOE_list.Entry_ID 26711 _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 9 '600.18 MHz steady-state NOE' 1 $sample_1 . 26711 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 . . 26711 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 0.294924652769 0.0810041372243 . . . . . . . . . . 26711 1 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.613515701049 0.133648893649 . . . . . . . . . . 26711 1 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.892560548207 0.15570749603 . . . . . . . . . . 26711 1 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.839345588942 0.129955043236 . . . . . . . . . . 26711 1 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.95281230336 0.159916582839 . . . . . . . . . . 26711 1 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.72307684915 0.079064963321 . . . . . . . . . . 26711 1 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.656525415787 0.133455176129 . . . . . . . . . . 26711 1 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.675334857459 0.132502336346 . . . . . . . . . . 26711 1 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.783048378102 0.059347018298 . . . . . . . . . . 26711 1 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.868480677176 0.134752016695 . . . . . . . . . . 26711 1 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.630285758234 0.100454324291 . . . . . . . . . . 26711 1 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.817306854762 0.123622434684 . . . . . . . . . . 26711 1 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.716837913785 0.17103473176 . . . . . . . . . . 26711 1 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.826183131572 0.140103176987 . . . . . . . . . . 26711 1 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.516478457799 0.12529938962 . . . . . . . . . . 26711 1 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.764999131834 0.0824959071324 . . . . . . . . . . 26711 1 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.628874457964 0.155320918209 . . . . . . . . . . 26711 1 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.721956451281 0.0547975690188 . . . . . . . . . . 26711 1 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.879716933252 0.12576245259 . . . . . . . . . . 26711 1 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.718360385128 0.0926386787855 . . . . . . . . . . 26711 1 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 1.03569209342 0.161187428391 . . . . . . . . . . 26711 1 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.73233366228 0.131806934198 . . . . . . . . . . 26711 1 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.708693651881 0.0903665083065 . . . . . . . . . . 26711 1 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.750245424871 0.12784051375 . . . . . . . . . . 26711 1 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.753817059746 0.0570109232658 . . . . . . . . . . 26711 1 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.723986071959 0.101939180232 . . . . . . . . . . 26711 1 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.788802359385 0.117863741372 . . . . . . . . . . 26711 1 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.754937307776 0.0962079533959 . . . . . . . . . . 26711 1 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.563356524869 0.0730007173161 . . . . . . . . . . 26711 1 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.737519854663 0.099552894062 . . . . . . . . . . 26711 1 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.686275493714 0.0624199543999 . . . . . . . . . . 26711 1 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.660484802773 0.125370248301 . . . . . . . . . . 26711 1 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.709073493223 0.18742830745 . . . . . . . . . . 26711 1 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.552309129738 0.132591961944 . . . . . . . . . . 26711 1 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 1.05422859058 0.206780033781 . . . . . . . . . . 26711 1 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.812254293068 0.103110120015 . . . . . . . . . . 26711 1 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.791202073167 0.129816972386 . . . . . . . . . . 26711 1 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.946311662097 0.117113372259 . . . . . . . . . . 26711 1 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.906320471372 0.141457514126 . . . . . . . . . . 26711 1 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.857870702537 0.0965595066175 . . . . . . . . . . 26711 1 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.774252303133 0.108965057268 . . . . . . . . . . 26711 1 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.497142595678 0.117468511556 . . . . . . . . . . 26711 1 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.952047491767 0.163116786536 . . . . . . . . . . 26711 1 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.904419590354 0.157002638205 . . . . . . . . . . 26711 1 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.757500168787 0.151246907604 . . . . . . . . . . 26711 1 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.98714998434 0.177815593195 . . . . . . . . . . 26711 1 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.952086518341 0.117927090529 . . . . . . . . . . 26711 1 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 1.01188346052 0.145960726769 . . . . . . . . . . 26711 1 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.750171743087 0.0736207655518 . . . . . . . . . . 26711 1 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.597782308481 0.0910435034576 . . . . . . . . . . 26711 1 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.893932824834 0.112266449133 . . . . . . . . . . 26711 1 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.705979957329 0.0804081214525 . . . . . . . . . . 26711 1 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.510568522601 0.254029198774 . . . . . . . . . . 26711 1 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.459516416158 0.0740972545761 . . . . . . . . . . 26711 1 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.691485853102 0.0618794411387 . . . . . . . . . . 26711 1 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.70404903622 0.0997511917406 . . . . . . . . . . 26711 1 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.921518453009 0.12265489873 . . . . . . . . . . 26711 1 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 1.11103875637 0.144743261732 . . . . . . . . . . 26711 1 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.951379160988 0.145814099132 . . . . . . . . . . 26711 1 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.932976336139 0.135497978832 . . . . . . . . . . 26711 1 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.765305073841 0.0758969634925 . . . . . . . . . . 26711 1 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.939582442219 0.126491275809 . . . . . . . . . . 26711 1 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.885381360349 0.123738792966 . . . . . . . . . . 26711 1 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.779134331082 0.0718469087825 . . . . . . . . . . 26711 1 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.673484965318 0.0408645729355 . . . . . . . . . . 26711 1 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.780494983094 0.108528362917 . . . . . . . . . . 26711 1 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.612919610084 0.0646473692186 . . . . . . . . . . 26711 1 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.719653396997 0.116788571542 . . . . . . . . . . 26711 1 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.771125325349 0.085928808724 . . . . . . . . . . 26711 1 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.782244894533 0.146995423153 . . . . . . . . . . 26711 1 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.760351403328 0.116206765992 . . . . . . . . . . 26711 1 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 1.10817332554 0.157527536181 . . . . . . . . . . 26711 1 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.915066001242 0.15258405147 . . . . . . . . . . 26711 1 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.767447575526 0.0726321484931 . . . . . . . . . . 26711 1 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.643745088215 0.059645491552 . . . . . . . . . . 26711 1 stop_ save_ save_750.46_MHz_hetNOE_b2m _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_b2m _Heteronucl_NOE_list.Entry_ID 26711 _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 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26711 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26711 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 0.398414527454 0.0558303030999 . . . . . . . . . . 26711 2 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.630117390957 0.0854944968941 . . . . . . . . . . 26711 2 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.734941012063 0.0823771775477 . . . . . . . . . . 26711 2 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.857230787559 0.0832433231148 . . . . . . . . . . 26711 2 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.825446542581 0.0930050501184 . . . . . . . . . . 26711 2 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.916168481042 0.073333473646 . . . . . . . . . . 26711 2 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.729774843136 0.099543183709 . . . . . . . . . . 26711 2 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.767182776008 0.102036845233 . . . . . . . . . . 26711 2 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.73094336678 0.041953786354 . . . . . . . . . . 26711 2 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.985871860195 0.0979932401211 . . . . . . . . . . 26711 2 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.694327329905 0.0899774459894 . . . . . . . . . . 26711 2 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.813306138967 0.0877424477337 . . . . . . . . . . 26711 2 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.966706757735 0.14870412846 . . . . . . . . . . 26711 2 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.702251749742 0.0857475687403 . . . . . . . . . . 26711 2 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.700657204123 0.0715129443111 . . . . . . . . . . 26711 2 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.753318816131 0.0587471557853 . . . . . . . . . . 26711 2 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.806006377473 0.155053250332 . . . . . . . . . . 26711 2 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.697933850376 0.0395766323198 . . . . . . . . . . 26711 2 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.706900154813 0.0712327515446 . . . . . . . . . . 26711 2 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.798514119525 0.0646174265127 . . . . . . . . . . 26711 2 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.691120201649 0.0807824639288 . . . . . . . . . . 26711 2 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.817113073678 0.0863448285648 . . . . . . . . . . 26711 2 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.784268647053 0.0772682107285 . . . . . . . . . . 26711 2 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.79835302056 0.078696649668 . . . . . . . . . . 26711 2 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.707601277176 0.040793349003 . . . . . . . . . . 26711 2 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.788626722172 0.0789090643746 . . . . . . . . . . 26711 2 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.718423863508 0.0843328829586 . . . . . . . . . . 26711 2 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.578031409273 0.0561635115126 . . . . . . . . . . 26711 2 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.472498889093 0.0440190948014 . . . . . . . . . . 26711 2 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.560068801116 0.0663945938652 . . . . . . . . . . 26711 2 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.720835291552 0.0450340439139 . . . . . . . . . . 26711 2 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.664361389101 0.0978331933629 . . . . . . . . . . 26711 2 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.767562256015 0.127033822935 . . . . . . . . . . 26711 2 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.919135124154 0.155698208116 . . . . . . . . . . 26711 2 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.650083530566 0.0833979237747 . . . . . . . . . . 26711 2 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.643733711264 0.0605078683245 . . . . . . . . . . 26711 2 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.825975983464 0.113086879752 . . . . . . . . . . 26711 2 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.815483749647 0.0669375675851 . . . . . . . . . . 26711 2 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.774751316323 0.0817402532074 . . . . . . . . . . 26711 2 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.60698340334 0.0724175269845 . . . . . . . . . . 26711 2 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.722518352004 0.0830380510637 . . . . . . . . . . 26711 2 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.495045229115 0.0869478926138 . . . . . . . . . . 26711 2 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.959100774411 0.114269249754 . . . . . . . . . . 26711 2 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.899723780368 0.104285875817 . . . . . . . . . . 26711 2 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.768776153731 0.136621826162 . . . . . . . . . . 26711 2 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 1.09329938947 0.145781540764 . . . . . . . . . . 26711 2 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.688567049538 0.0591562501181 . . . . . . . . . . 26711 2 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.731346883552 0.0796033805967 . . . . . . . . . . 26711 2 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.696715713751 0.0524622835214 . . . . . . . . . . 26711 2 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.773951064072 0.0864809069991 . . . . . . . . . . 26711 2 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.710259491374 0.0673911454355 . . . . . . . . . . 26711 2 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.770891342239 0.0645718342217 . . . . . . . . . . 26711 2 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.637609938058 0.177104874611 . . . . . . . . . . 26711 2 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.508041823448 0.0494458656084 . . . . . . . . . . 26711 2 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.74277332185 0.043811150402 . . . . . . . . . . 26711 2 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.888450419421 0.085878422822 . . . . . . . . . . 26711 2 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.698236726741 0.0655541674759 . . . . . . . . . . 26711 2 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.884284002598 0.0900065193403 . . . . . . . . . . 26711 2 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.680557408813 0.0931930903301 . . . . . . . . . . 26711 2 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.840030684876 0.0815545039599 . . . . . . . . . . 26711 2 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.796451084424 0.0536906772853 . . . . . . . . . . 26711 2 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.834728893274 0.0792579672733 . . . . . . . . . . 26711 2 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.70331722694 0.0671361402786 . . . . . . . . . . 26711 2 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.794666315065 0.0571218692485 . . . . . . . . . . 26711 2 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.681687270653 0.0294330127373 . . . . . . . . . . 26711 2 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.749134359769 0.0748693670173 . . . . . . . . . . 26711 2 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.573128767911 0.0435784977634 . . . . . . . . . . 26711 2 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.849169943685 0.0891463923218 . . . . . . . . . . 26711 2 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.831812826701 0.0667020798737 . . . . . . . . . . 26711 2 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.651700561345 0.0809506052626 . . . . . . . . . . 26711 2 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.706574635276 0.105258202906 . . . . . . . . . . 26711 2 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.836284257934 0.0918259458111 . . . . . . . . . . 26711 2 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.824562892006 0.0978586310077 . . . . . . . . . . 26711 2 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.825821979437 0.054924258576 . . . . . . . . . . 26711 2 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.586660682361 0.0399114794501 . . . . . . . . . . 26711 2 stop_ save_ save_600.18_MHz_hetNOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_top _Heteronucl_NOE_list.Entry_ID 26711 _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 . 26711 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 . . 26711 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 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.524407138108 0.0441270683622 . . . . . . . . . . 26711 3 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.715823672935 0.0666451607729 . . . . . . . . . . 26711 3 3 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.879999650367 0.0514906061776 . . . . . . . . . . 26711 3 4 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.430740198381 0.114318519606 . . . . . . . . . . 26711 3 5 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 2.04413632412 1.6818588838 . . . . . . . . . . 26711 3 6 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.579447795009 0.0520142590357 . . . . . . . . . . 26711 3 7 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.879905230769 0.0449516232761 . . . . . . . . . . 26711 3 8 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.737837139441 0.0502802467377 . . . . . . . . . . 26711 3 9 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.912519211269 0.0476137918592 . . . . . . . . . . 26711 3 10 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.750929193914 0.0733386454882 . . . . . . . . . . 26711 3 11 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.825286389524 0.0763207343897 . . . . . . . . . . 26711 3 12 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.785676784136 0.0547337413569 . . . . . . . . . . 26711 3 13 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.965503931862 0.17470238967 . . . . . . . . . . 26711 3 14 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.944125797839 0.106007374202 . . . . . . . . . . 26711 3 15 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.894787174068 0.0774566664692 . . . . . . . . . . 26711 3 16 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.747579244268 0.0875099440913 . . . . . . . . . . 26711 3 17 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.836939820676 0.0627704865507 . . . . . . . . . . 26711 3 18 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.811702773617 0.0537441116052 . . . . . . . . . . 26711 3 19 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.820314477792 0.0406555426532 . . . . . . . . . . 26711 3 20 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.821453019693 0.0491022983984 . . . . . . . . . . 26711 3 21 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.803022721435 0.0392257971936 . . . . . . . . . . 26711 3 22 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.0960352580867 0.0297570631655 . . . . . . . . . . 26711 3 23 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.35317047004 0.0656675672179 . . . . . . . . . . 26711 3 24 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.883347032856 0.0706183379717 . . . . . . . . . . 26711 3 25 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.966452362114 0.0869615423273 . . . . . . . . . . 26711 3 26 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.760260494893 0.0651414692891 . . . . . . . . . . 26711 3 27 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.699507999386 0.0780518990694 . . . . . . . . . . 26711 3 28 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.753039279477 0.0831139157604 . . . . . . . . . . 26711 3 29 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.759044836974 0.0513186468118 . . . . . . . . . . 26711 3 30 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.800439486675 0.0396080111362 . . . . . . . . . . 26711 3 31 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.876589896715 0.0667867348789 . . . . . . . . . . 26711 3 32 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.896291596984 0.0618058445922 . . . . . . . . . . 26711 3 33 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.849510652691 0.0423133825395 . . . . . . . . . . 26711 3 34 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.865976646536 0.0947790546683 . . . . . . . . . . 26711 3 35 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.84615802298 0.0662962467061 . . . . . . . . . . 26711 3 36 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.855890399456 0.0741063681028 . . . . . . . . . . 26711 3 37 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.912021561675 0.0707199186195 . . . . . . . . . . 26711 3 38 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 1.40578650929 0.124675707489 . . . . . . . . . . 26711 3 39 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.910633072421 0.0595230819216 . . . . . . . . . . 26711 3 40 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.899575117464 0.0860931979099 . . . . . . . . . . 26711 3 41 . 1 1 95 95 THR N N 15 . 1 1 95 95 THR H H 1 -0.0611575641965 0.0226935617032 . . . . . . . . . . 26711 3 42 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.884199517361 0.111542920158 . . . . . . . . . . 26711 3 43 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.933109282421 0.0819771967378 . . . . . . . . . . 26711 3 44 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.811200612863 0.0713151378524 . . . . . . . . . . 26711 3 45 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.0932968591859 0.112418167192 . . . . . . . . . . 26711 3 46 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.665653609316 0.0604325846522 . . . . . . . . . . 26711 3 47 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.818749868837 0.0727411272795 . . . . . . . . . . 26711 3 48 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.923268407644 0.058840085363 . . . . . . . . . . 26711 3 49 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.840615887544 0.0727335738948 . . . . . . . . . . 26711 3 50 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.729730812866 0.0693107487403 . . . . . . . . . . 26711 3 51 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.870606248882 0.0913713144108 . . . . . . . . . . 26711 3 52 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.858458406082 0.0874663713052 . . . . . . . . . . 26711 3 53 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.854293144331 0.0533546654343 . . . . . . . . . . 26711 3 54 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.920322499015 0.0608609854104 . . . . . . . . . . 26711 3 55 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.681917348785 0.052212239828 . . . . . . . . . . 26711 3 56 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.789942227557 0.0652753489763 . . . . . . . . . . 26711 3 57 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.901587715904 0.0910972352349 . . . . . . . . . . 26711 3 58 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 1.00117313691 0.116990918776 . . . . . . . . . . 26711 3 59 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.737954492178 0.0723583600601 . . . . . . . . . . 26711 3 60 . 1 1 129 129 HIS N N 15 . 1 1 129 129 HIS H H 1 0.825314900728 0.0768083504585 . . . . . . . . . . 26711 3 61 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.895703501546 0.0840163032725 . . . . . . . . . . 26711 3 62 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 1.02202439889 0.0941533654499 . . . . . . . . . . 26711 3 63 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.670217956873 0.0654198255584 . . . . . . . . . . 26711 3 64 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 1.00580734408 0.149952020298 . . . . . . . . . . 26711 3 65 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.824758819412 0.0593796215444 . . . . . . . . . . 26711 3 66 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.891034474416 0.0961950656288 . . . . . . . . . . 26711 3 67 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.835839205212 0.0654811416994 . . . . . . . . . . 26711 3 68 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.87060038312 0.0913182367646 . . . . . . . . . . 26711 3 69 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.812235597049 0.07050017969 . . . . . . . . . . 26711 3 70 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.71609886279 0.0472534893007 . . . . . . . . . . 26711 3 71 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.851196017896 0.0507070638654 . . . . . . . . . . 26711 3 72 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.716447204668 0.0666782098161 . . . . . . . . . . 26711 3 73 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.557861668507 0.0788691060905 . . . . . . . . . . 26711 3 74 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.811034275008 0.0488581497624 . . . . . . . . . . 26711 3 75 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.844268916857 0.0432115769133 . . . . . . . . . . 26711 3 76 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.727816573205 0.0451592877761 . . . . . . . . . . 26711 3 77 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.707104132497 0.0549224798464 . . . . . . . . . . 26711 3 78 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 1.10453571088 0.231751465294 . . . . . . . . . . 26711 3 79 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.771625812625 0.0711001410896 . . . . . . . . . . 26711 3 80 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.798860900049 0.0938572885487 . . . . . . . . . . 26711 3 81 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.803600713483 0.0567018866084 . . . . . . . . . . 26711 3 82 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.87916840661 0.0757331297098 . . . . . . . . . . 26711 3 83 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.887300265734 0.117492436531 . . . . . . . . . . 26711 3 84 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.796455735036 0.0483502258625 . . . . . . . . . . 26711 3 85 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.800553155287 0.078790520316 . . . . . . . . . . 26711 3 86 . 1 1 162 162 TRP N N 15 . 1 1 162 162 TRP H H 1 0.870363165861 0.0790281360341 . . . . . . . . . . 26711 3 87 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.822262936069 0.0611179914705 . . . . . . . . . . 26711 3 88 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.743109766741 0.0487062232753 . . . . . . . . . . 26711 3 89 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.827302982462 0.0461686776178 . . . . . . . . . . 26711 3 90 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.793488239416 0.0619881903109 . . . . . . . . . . 26711 3 91 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.798870914507 0.0652581814481 . . . . . . . . . . 26711 3 92 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.912681563697 0.0564019325324 . . . . . . . . . . 26711 3 93 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.796796923033 0.0766935784174 . . . . . . . . . . 26711 3 94 . 1 1 175 175 LEU N N 15 . 1 1 175 175 LEU H H 1 0.961655113624 0.139222383629 . . . . . . . . . . 26711 3 95 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.752376492309 0.0686836007606 . . . . . . . . . . 26711 3 96 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.786334906449 0.0564663025105 . . . . . . . . . . 26711 3 97 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.67776758138 0.05842280536 . . . . . . . . . . 26711 3 98 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.750170206546 0.0928297531811 . . . . . . . . . . 26711 3 99 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.934124327588 0.0860329329554 . . . . . . . . . . 26711 3 100 . 1 1 184 184 ARG N N 15 . 1 1 184 184 ARG H H 1 0.905998579471 0.0823506234244 . . . . . . . . . . 26711 3 101 . 1 1 185 185 ARG N N 15 . 1 1 185 185 ARG H H 1 0.976765604435 0.0711113120023 . . . . . . . . . . 26711 3 102 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.895940647928 0.0856603058717 . . . . . . . . . . 26711 3 103 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.827571396775 0.078187918478 . . . . . . . . . . 26711 3 104 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.811785437988 0.0587219678064 . . . . . . . . . . 26711 3 105 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.810235476827 0.0592021013032 . . . . . . . . . . 26711 3 106 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.720608879043 0.1298392127 . . . . . . . . . . 26711 3 107 . 1 1 194 194 LEU N N 15 . 1 1 194 194 LEU H H 1 0.620221115925 0.096614096803 . . . . . . . . . . 26711 3 stop_ save_ save_750.46_MHz_hetNOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_top _Heteronucl_NOE_list.Entry_ID 26711 _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 . 26711 4 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26711 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 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.524909342664 0.0421449035395 . . . . . . . . . . 26711 4 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.775566123706 0.0705566668507 . . . . . . . . . . 26711 4 3 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.734620719832 0.0461888930561 . . . . . . . . . . 26711 4 4 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.375735638648 0.0637643550262 . . . . . . . . . . 26711 4 5 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.0286382763925 0.335080248599 . . . . . . . . . . 26711 4 6 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.712634568083 0.0535551096699 . . . . . . . . . . 26711 4 7 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.819097361828 0.0447780080107 . . . . . . . . . . 26711 4 8 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.820227555039 0.0536022301173 . . . . . . . . . . 26711 4 9 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.715003459791 0.0409964608761 . . . . . . . . . . 26711 4 10 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.748065825863 0.0709993735326 . . . . . . . . . . 26711 4 11 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.853434739959 0.0884604504653 . . . . . . . . . . 26711 4 12 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.862304775361 0.0649074114171 . . . . . . . . . . 26711 4 13 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.745038054297 0.110198116297 . . . . . . . . . . 26711 4 14 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.773409448956 0.0931818685327 . . . . . . . . . . 26711 4 15 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 1.05926434131 0.118280120322 . . . . . . . . . . 26711 4 16 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.82897418557 0.0788984002624 . . . . . . . . . . 26711 4 17 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.759520512502 0.0567818394857 . . . . . . . . . . 26711 4 18 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.875421944173 0.0727238120782 . . . . . . . . . . 26711 4 19 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.846111398709 0.0457844453643 . . . . . . . . . . 26711 4 20 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.798110236288 0.0513410797083 . . . . . . . . . . 26711 4 21 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.801823408356 0.0393645273419 . . . . . . . . . . 26711 4 22 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.263963807172 0.026710136127 . . . . . . . . . . 26711 4 23 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.325619987308 0.0575167105673 . . . . . . . . . . 26711 4 24 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.855890903268 0.0695565712562 . . . . . . . . . . 26711 4 25 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.790870663479 0.0728115300028 . . . . . . . . . . 26711 4 26 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.728759944539 0.0630701077178 . . . . . . . . . . 26711 4 27 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.76386968787 0.0859900541621 . . . . . . . . . . 26711 4 28 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.739480120837 0.0727288858278 . . . . . . . . . . 26711 4 29 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.702598711952 0.0464560543732 . . . . . . . . . . 26711 4 30 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.719832984748 0.0441054548269 . . . . . . . . . . 26711 4 31 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.787232444496 0.0610987885937 . . . . . . . . . . 26711 4 32 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.72920122206 0.0505584434413 . . . . . . . . . . 26711 4 33 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.723335355544 0.0424424284043 . . . . . . . . . . 26711 4 34 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.85343452272 0.0966975816286 . . . . . . . . . . 26711 4 35 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.758564647997 0.0607626700351 . . . . . . . . . . 26711 4 36 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.82166549345 0.0698947570935 . . . . . . . . . . 26711 4 37 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.717030330895 0.056259066153 . . . . . . . . . . 26711 4 38 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.831503182225 0.0849337919838 . . . . . . . . . . 26711 4 39 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.775548270807 0.0497373625632 . . . . . . . . . . 26711 4 40 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.810310690999 0.0878553591655 . . . . . . . . . . 26711 4 41 . 1 1 95 95 THR N N 15 . 1 1 95 95 THR H H 1 0.350855265691 0.0197398201718 . . . . . . . . . . 26711 4 42 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.703359480075 0.0793706037153 . . . . . . . . . . 26711 4 43 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.878593168659 0.0694883801227 . . . . . . . . . . 26711 4 44 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.703079285835 0.0716495361883 . . . . . . . . . . 26711 4 45 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.0761347260681 0.0718560605643 . . . . . . . . . . 26711 4 46 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.572249833039 0.0575153072533 . . . . . . . . . . 26711 4 47 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.810375361567 0.0377767832573 . . . . . . . . . . 26711 4 48 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.831672767169 0.0521453209435 . . . . . . . . . . 26711 4 49 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.816493604252 0.0772769534485 . . . . . . . . . . 26711 4 50 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.737048609684 0.0798093455253 . . . . . . . . . . 26711 4 51 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.715460221639 0.0686495951909 . . . . . . . . . . 26711 4 52 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.90498733051 0.082934987729 . . . . . . . . . . 26711 4 53 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.801614335337 0.0494852367987 . . . . . . . . . . 26711 4 54 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.708971702492 0.0495877770334 . . . . . . . . . . 26711 4 55 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.627540839857 0.0457318031997 . . . . . . . . . . 26711 4 56 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.742049251951 0.0585760106183 . . . . . . . . . . 26711 4 57 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.831363392586 0.0764647397332 . . . . . . . . . . 26711 4 58 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.717570576544 0.0806091906422 . . . . . . . . . . 26711 4 59 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.762593914281 0.0870307926131 . . . . . . . . . . 26711 4 60 . 1 1 129 129 HIS N N 15 . 1 1 129 129 HIS H H 1 0.786810918325 0.0741462386876 . . . . . . . . . . 26711 4 61 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.981598389631 0.110205107139 . . . . . . . . . . 26711 4 62 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.868581279271 0.0811201790855 . . . . . . . . . . 26711 4 63 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.741654793799 0.0784817765432 . . . . . . . . . . 26711 4 64 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.883800221585 0.11172388139 . . . . . . . . . . 26711 4 65 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.679231561269 0.0565059213379 . . . . . . . . . . 26711 4 66 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.659727250667 0.0665638746693 . . . . . . . . . . 26711 4 67 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.847419811731 0.0711138193978 . . . . . . . . . . 26711 4 68 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.873237799276 0.108721570864 . . . . . . . . . . 26711 4 69 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.806903198866 0.0661713724019 . . . . . . . . . . 26711 4 70 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.779552839415 0.045229823186 . . . . . . . . . . 26711 4 71 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.808158189372 0.0496422645691 . . . . . . . . . . 26711 4 72 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.813741447237 0.0738843382166 . . . . . . . . . . 26711 4 73 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.552084244038 0.0640340119826 . . . . . . . . . . 26711 4 74 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.793437430018 0.049342681687 . . . . . . . . . . 26711 4 75 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.77549426126 0.048278461665 . . . . . . . . . . 26711 4 76 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.699495512592 0.0433189862196 . . . . . . . . . . 26711 4 77 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.640991862812 0.0512825233747 . . . . . . . . . . 26711 4 78 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.624626943925 0.113233886542 . . . . . . . . . . 26711 4 79 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.699654633735 0.064753286285 . . . . . . . . . . 26711 4 80 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.879824528099 0.101475417812 . . . . . . . . . . 26711 4 81 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.835695392944 0.0548832217706 . . . . . . . . . . 26711 4 82 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.779187567735 0.0554806955174 . . . . . . . . . . 26711 4 83 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.857225532038 0.0978728433354 . . . . . . . . . . 26711 4 84 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.785390958006 0.0478786118392 . . . . . . . . . . 26711 4 85 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.987907784721 0.0950343186097 . . . . . . . . . . 26711 4 86 . 1 1 162 162 TRP N N 15 . 1 1 162 162 TRP H H 1 0.797235111126 0.0820648720783 . . . . . . . . . . 26711 4 87 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.814204520614 0.0589245317216 . . . . . . . . . . 26711 4 88 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.841061468022 0.0502294677318 . . . . . . . . . . 26711 4 89 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.803839702645 0.0467467366042 . . . . . . . . . . 26711 4 90 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.740863724562 0.0630426739518 . . . . . . . . . . 26711 4 91 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.720387059473 0.0382802630678 . . . . . . . . . . 26711 4 92 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.753666065051 0.0493765278621 . . . . . . . . . . 26711 4 93 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.872407331412 0.0773296246803 . . . . . . . . . . 26711 4 94 . 1 1 175 175 LEU N N 15 . 1 1 175 175 LEU H H 1 0.716839116198 0.0929479819756 . . . . . . . . . . 26711 4 95 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.829339296839 0.0696969639689 . . . . . . . . . . 26711 4 96 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.69029437117 0.0539049098303 . . . . . . . . . . 26711 4 97 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.589060109964 0.0537646427363 . . . . . . . . . . 26711 4 98 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.714033928575 0.105780662943 . . . . . . . . . . 26711 4 99 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.827516069404 0.0761724100562 . . . . . . . . . . 26711 4 100 . 1 1 184 184 ARG N N 15 . 1 1 184 184 ARG H H 1 0.764077210112 0.07509389772 . . . . . . . . . . 26711 4 101 . 1 1 185 185 ARG N N 15 . 1 1 185 185 ARG H H 1 0.746775031959 0.0527314169236 . . . . . . . . . . 26711 4 102 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.702365685478 0.0557925105042 . . . . . . . . . . 26711 4 103 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.7897030291 0.0665847507741 . . . . . . . . . . 26711 4 104 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.8256443476 0.0611881799723 . . . . . . . . . . 26711 4 105 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.75164540803 0.0599048696395 . . . . . . . . . . 26711 4 106 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.696774700034 0.063205833449 . . . . . . . . . . 26711 4 107 . 1 1 194 194 LEU N N 15 . 1 1 194 194 LEU H H 1 0.85059618128 0.0826609683809 . . . . . . . . . . 26711 4 stop_ save_ save_600.18_MHz_hetNOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_bottom _Heteronucl_NOE_list.Entry_ID 26711 _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 . 26711 5 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 . . 26711 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 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.840428790756 0.0448720825922 . . . . . . . . . . 26711 5 2 . 1 1 202 202 THR N N 15 . 1 1 202 202 THR H H 1 0.784292539392 0.0449147464035 . . . . . . . . . . 26711 5 3 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.745150488851 0.0491920646214 . . . . . . . . . . 26711 5 4 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.8299804793 0.0425688640801 . . . . . . . . . . 26711 5 5 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.772155140467 0.0355355302794 . . . . . . . . . . 26711 5 6 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.618264225241 0.0442865308347 . . . . . . . . . . 26711 5 7 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.558958220387 0.0450345794173 . . . . . . . . . . 26711 5 8 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.648174765548 0.10574967878 . . . . . . . . . . 26711 5 9 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.777151989008 0.0508548028816 . . . . . . . . . . 26711 5 10 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.881768659127 0.0384950133661 . . . . . . . . . . 26711 5 11 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.778302316649 0.0358237788794 . . . . . . . . . . 26711 5 12 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.819783505724 0.0474696443747 . . . . . . . . . . 26711 5 13 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.835039065968 0.0392873098221 . . . . . . . . . . 26711 5 14 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.845423817756 0.0430975936303 . . . . . . . . . . 26711 5 15 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.635347844923 0.0438675111994 . . . . . . . . . . 26711 5 16 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.775707244246 0.0464544041331 . . . . . . . . . . 26711 5 17 . 1 1 230 230 LEU N N 15 . 1 1 230 230 LEU H H 1 0.793289611638 0.0322562858246 . . . . . . . . . . 26711 5 18 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.763210525513 0.0367469436625 . . . . . . . . . . 26711 5 19 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.756237852355 0.0396656459529 . . . . . . . . . . 26711 5 20 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.776796374412 0.0373308059503 . . . . . . . . . . 26711 5 21 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.720040808991 0.0356290250824 . . . . . . . . . . 26711 5 22 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.693215848264 0.0344177955004 . . . . . . . . . . 26711 5 23 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.789278879122 0.0545526850359 . . . . . . . . . . 26711 5 24 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.673689405673 0.0309414977166 . . . . . . . . . . 26711 5 25 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.755550842669 0.0672114829408 . . . . . . . . . . 26711 5 26 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.640059805716 0.0470293847199 . . . . . . . . . . 26711 5 27 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.784273118437 0.0415019374975 . . . . . . . . . . 26711 5 28 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.817311264629 0.035340446071 . . . . . . . . . . 26711 5 29 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.706329579825 0.04579955253 . . . . . . . . . . 26711 5 30 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.795724041587 0.0423694253455 . . . . . . . . . . 26711 5 31 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.893098713859 0.0603493079472 . . . . . . . . . . 26711 5 32 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.927309490982 0.0740610362554 . . . . . . . . . . 26711 5 33 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.674282508374 0.0803030638714 . . . . . . . . . . 26711 5 34 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.693797413701 0.0839745646435 . . . . . . . . . . 26711 5 35 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.595875745968 0.0804063504381 . . . . . . . . . . 26711 5 36 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.763875084609 0.0645297669966 . . . . . . . . . . 26711 5 37 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.838710711648 0.0519246768427 . . . . . . . . . . 26711 5 38 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.844177015828 0.0460372400463 . . . . . . . . . . 26711 5 39 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.84157599258 0.035495902477 . . . . . . . . . . 26711 5 40 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.838845778601 0.0484281662471 . . . . . . . . . . 26711 5 41 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.78725536718 0.0317023522269 . . . . . . . . . . 26711 5 42 . 1 1 266 266 SER N N 15 . 1 1 266 266 SER H H 1 0.773608876541 0.0294341088766 . . . . . . . . . . 26711 5 43 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.761487821567 0.0369037840972 . . . . . . . . . . 26711 5 44 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.78062131291 0.0468667967991 . . . . . . . . . . 26711 5 45 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.748885877536 0.0458989025677 . . . . . . . . . . 26711 5 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.700804167017 0.0372979574253 . . . . . . . . . . 26711 5 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.821392982337 0.0386354673543 . . . . . . . . . . 26711 5 48 . 1 1 274 274 CYS N N 15 . 1 1 274 274 CYS H H 1 0.816659983946 0.0403448529139 . . . . . . . . . . 26711 5 49 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.85447797112 0.0378387509265 . . . . . . . . . . 26711 5 50 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.877393393877 0.0414061077242 . . . . . . . . . . 26711 5 51 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.846233185159 0.0405683419788 . . . . . . . . . . 26711 5 52 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.743974702831 0.0460957335146 . . . . . . . . . . 26711 5 53 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.842077626393 0.0815096905069 . . . . . . . . . . 26711 5 54 . 1 1 283 283 LYS N N 15 . 1 1 283 283 LYS H H 1 0.509413061635 0.0377741102781 . . . . . . . . . . 26711 5 55 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.805776892282 0.0398365876697 . . . . . . . . . . 26711 5 56 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.814926469564 0.0298661210674 . . . . . . . . . . 26711 5 57 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.726560610059 0.026158046896 . . . . . . . . . . 26711 5 58 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.247349234928 0.0212663759768 . . . . . . . . . . 26711 5 stop_ save_ save_750.46_MHz_hetNOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_bottom _Heteronucl_NOE_list.Entry_ID 26711 _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 . 26711 6 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 . . 26711 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 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.759832269577 0.0441670571486 . . . . . . . . . . 26711 6 2 . 1 1 202 202 THR N N 15 . 1 1 202 202 THR H H 1 0.756881368108 0.0417709418193 . . . . . . . . . . 26711 6 3 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.762239614928 0.0457451495619 . . . . . . . . . . 26711 6 4 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.737974910538 0.0398407671624 . . . . . . . . . . 26711 6 5 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.714210468197 0.0374925404667 . . . . . . . . . . 26711 6 6 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.771991851948 0.0545703706538 . . . . . . . . . . 26711 6 7 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.625502362346 0.0435818019159 . . . . . . . . . . 26711 6 8 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.629716537524 0.0778568518235 . . . . . . . . . . 26711 6 9 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.649621096412 0.0441817065128 . . . . . . . . . . 26711 6 10 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.772931239016 0.0360542589124 . . . . . . . . . . 26711 6 11 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.812167071014 0.0442453925856 . . . . . . . . . . 26711 6 12 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.825528861702 0.047150307179 . . . . . . . . . . 26711 6 13 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.836904255565 0.0424195701809 . . . . . . . . . . 26711 6 14 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.820284053081 0.0409601996982 . . . . . . . . . . 26711 6 15 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.66570197517 0.0514502776297 . . . . . . . . . . 26711 6 16 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.756075772074 0.0464381977588 . . . . . . . . . . 26711 6 17 . 1 1 230 230 LEU N N 15 . 1 1 230 230 LEU H H 1 0.734685089371 0.0352896264166 . . . . . . . . . . 26711 6 18 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.732698783167 0.0365533061665 . . . . . . . . . . 26711 6 19 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.753427703459 0.0406227444776 . . . . . . . . . . 26711 6 20 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.795894392534 0.0425391115017 . . . . . . . . . . 26711 6 21 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.690109952201 0.0386942805267 . . . . . . . . . . 26711 6 22 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.705217859706 0.0390585301224 . . . . . . . . . . 26711 6 23 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.750181024822 0.0553570569209 . . . . . . . . . . 26711 6 24 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.689095580007 0.03366904514 . . . . . . . . . . 26711 6 25 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.620935399274 0.058206512647 . . . . . . . . . . 26711 6 26 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.566862924787 0.0413005196715 . . . . . . . . . . 26711 6 27 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.757862508176 0.0407053296925 . . . . . . . . . . 26711 6 28 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.737502539296 0.038419132859 . . . . . . . . . . 26711 6 29 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.663821099313 0.044537297499 . . . . . . . . . . 26711 6 30 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.732199437493 0.0382215063314 . . . . . . . . . . 26711 6 31 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.756923841237 0.0566550889891 . . . . . . . . . . 26711 6 32 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.780725535326 0.0593504913514 . . . . . . . . . . 26711 6 33 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.857313256243 0.0994928174072 . . . . . . . . . . 26711 6 34 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.815853834363 0.0806641203874 . . . . . . . . . . 26711 6 35 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.472282590545 0.0631348998781 . . . . . . . . . . 26711 6 36 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.769670584336 0.0608801580934 . . . . . . . . . . 26711 6 37 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.7597320061 0.0497045657242 . . . . . . . . . . 26711 6 38 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.819012951261 0.0497892278195 . . . . . . . . . . 26711 6 39 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.77797402539 0.0371469126272 . . . . . . . . . . 26711 6 40 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.74155278671 0.0579304424059 . . . . . . . . . . 26711 6 41 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.725593017404 0.0334843570598 . . . . . . . . . . 26711 6 42 . 1 1 266 266 SER N N 15 . 1 1 266 266 SER H H 1 0.704563244513 0.0286871993009 . . . . . . . . . . 26711 6 43 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.702201917798 0.0379894714552 . . . . . . . . . . 26711 6 44 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.693119550057 0.0516417758639 . . . . . . . . . . 26711 6 45 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.709073400959 0.0473509836102 . . . . . . . . . . 26711 6 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.697564051844 0.0374037020114 . . . . . . . . . . 26711 6 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.819336554775 0.0414457400078 . . . . . . . . . . 26711 6 48 . 1 1 274 274 CYS N N 15 . 1 1 274 274 CYS H H 1 0.8563748447 0.0463256120899 . . . . . . . . . . 26711 6 49 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.849405767081 0.0414935306988 . . . . . . . . . . 26711 6 50 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.772800663517 0.0401910259186 . . . . . . . . . . 26711 6 51 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.78428404404 0.0399235066391 . . . . . . . . . . 26711 6 52 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.792543886144 0.0489459459137 . . . . . . . . . . 26711 6 53 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.701211330708 0.0737874363563 . . . . . . . . . . 26711 6 54 . 1 1 283 283 LYS N N 15 . 1 1 283 283 LYS H H 1 0.641004652666 0.051484666542 . . . . . . . . . . 26711 6 55 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.736268327279 0.040635119274 . . . . . . . . . . 26711 6 56 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.714408621374 0.0292313575513 . . . . . . . . . . 26711 6 57 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.7081139634 0.0307184831185 . . . . . . . . . . 26711 6 58 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.254489094367 0.0237593182491 . . . . . . . . . . 26711 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 26711 _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 . 26711 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 0.886698969515 0.0632135113693 . . . . . . . 26711 1 2 . . 2 2 8 8 ILE N N 15 0.483152267585 0.0719139427472 . . . . . . . 26711 1 3 . . 2 2 9 9 GLN N N 15 0.506182507249 0.0676107183386 . . . . . . . 26711 1 4 . . 2 2 12 12 SER N N 15 0.549244625176 0.0567808191953 . . . . . . . 26711 1 5 . . 2 2 13 13 ARG N N 15 0.641444367141 0.116759647918 . . . . . . . 26711 1 6 . . 2 2 14 14 HIS N N 15 0.689898535376 0.0504083211439 . . . . . . . 26711 1 7 . . 2 2 17 17 GLU N N 15 0.625558289024 0.0942967287093 . . . . . . . 26711 1 8 . . 2 2 19 19 GLY N N 15 0.755651053615 0.105150110768 . . . . . . . 26711 1 9 . . 2 2 20 20 LYS N N 15 0.617928414819 0.0297994058709 . . . . . . . 26711 1 10 . . 2 2 23 23 PHE N N 15 0.510298610708 0.0622063052582 . . . . . . . 26711 1 11 . . 2 2 25 25 ASN N N 15 0.520782835209 0.0821352007899 . . . . . . . 26711 1 12 . . 2 2 26 26 CYS N N 15 0.652692634456 0.0675295601596 . . . . . . . 26711 1 13 . . 2 2 27 27 TYR N N 15 0.621550805079 0.104188413607 . . . . . . . 26711 1 14 . . 2 2 29 29 SER N N 15 0.508967388539 0.0771119730316 . . . . . . . 26711 1 15 . . 2 2 30 30 GLY N N 15 0.488133655461 0.0770308220101 . . . . . . . 26711 1 16 . . 2 2 31 31 PHE N N 15 0.625302013059 0.0623671829642 . . . . . . . 26711 1 17 . . 2 2 34 34 SER N N 15 0.607764404738 0.149113931659 . . . . . . . 26711 1 18 . . 2 2 35 35 ASP N N 15 0.593789813058 0.028761161457 . . . . . . . 26711 1 19 . . 2 2 37 37 GLU N N 15 0.568087027333 0.0600892585717 . . . . . . . 26711 1 20 . . 2 2 38 38 VAL N N 15 0.641010178995 0.0419157786546 . . . . . . . 26711 1 21 . . 2 2 40 40 LEU N N 15 0.508243546887 0.0524020535654 . . . . . . . 26711 1 22 . . 2 2 41 41 LEU N N 15 0.747214432475 0.0842963030365 . . . . . . . 26711 1 23 . . 2 2 43 43 ASN N N 15 0.577540093597 0.0667376660718 . . . . . . . 26711 1 24 . . 2 2 44 44 GLY N N 15 0.7620500037 0.107196304593 . . . . . . . 26711 1 25 . . 2 2 45 45 GLU N N 15 0.577829612603 0.027278851235 . . . . . . . 26711 1 26 . . 2 2 46 46 ARG N N 15 0.658059609234 0.0895259180605 . . . . . . . 26711 1 27 . . 2 2 47 47 ILE N N 15 0.626754048339 0.0902413419873 . . . . . . . 26711 1 28 . . 2 2 48 48 GLU N N 15 0.662783260053 0.0646830321434 . . . . . . . 26711 1 29 . . 2 2 49 49 LYS N N 15 0.580693544697 0.0360237731598 . . . . . . . 26711 1 30 . . 2 2 51 51 GLU N N 15 0.535609936542 0.0424139369946 . . . . . . . 26711 1 31 . . 2 2 52 52 HIS N N 15 0.575765606656 0.0286184977719 . . . . . . . 26711 1 32 . . 2 2 53 53 SER N N 15 0.698346313122 0.0824199524115 . . . . . . . 26711 1 33 . . 2 2 54 54 ASP N N 15 0.668935435011 0.171977050678 . . . . . . . 26711 1 34 . . 2 2 55 55 LEU N N 15 0.834610678925 0.116904498098 . . . . . . . 26711 1 35 . . 2 2 56 56 SER N N 15 0.663868792235 0.104066667795 . . . . . . . 26711 1 36 . . 2 2 57 57 PHE N N 15 0.551457787254 0.0470991983026 . . . . . . . 26711 1 37 . . 2 2 58 58 SER N N 15 0.800962635604 0.118426359433 . . . . . . . 26711 1 38 . . 2 2 60 60 ASP N N 15 0.5532361339 0.0567273904093 . . . . . . . 26711 1 39 . . 2 2 61 61 TRP N N 15 0.699778327065 0.0871551918186 . . . . . . . 26711 1 40 . . 2 2 61 61 TRP NE1 N 15 0.516076419552 0.0433658113784 . . . . . . . 26711 1 41 . . 2 2 62 62 SER N N 15 0.644202202915 0.0715542107934 . . . . . . . 26711 1 42 . . 2 2 63 63 PHE N N 15 0.746269127999 0.0958447792194 . . . . . . . 26711 1 43 . . 2 2 64 64 TYR N N 15 0.527490624909 0.0814031654679 . . . . . . . 26711 1 44 . . 2 2 65 65 LEU N N 15 0.520073770573 0.0734353788593 . . . . . . . 26711 1 45 . . 2 2 66 66 LEU N N 15 0.562311572835 0.102285981942 . . . . . . . 26711 1 46 . . 2 2 67 67 TYR N N 15 0.578171494212 0.0874192173171 . . . . . . . 26711 1 47 . . 2 2 68 68 TYR N N 15 0.560496196223 0.052560355215 . . . . . . . 26711 1 48 . . 2 2 69 69 THR N N 15 0.535320347141 0.0660933319498 . . . . . . . 26711 1 49 . . 2 2 70 70 GLU N N 15 0.563237564536 0.0339246930283 . . . . . . . 26711 1 50 . . 2 2 71 71 PHE N N 15 0.704196523187 0.0761160888253 . . . . . . . 26711 1 51 . . 2 2 72 72 THR N N 15 0.430394947476 0.0591327506474 . . . . . . . 26711 1 52 . . 2 2 74 74 THR N N 15 0.604804394181 0.0480976745237 . . . . . . . 26711 1 53 . . 2 2 75 75 GLU N N 15 1.09958942512 0.488903232343 . . . . . . . 26711 1 54 . . 2 2 76 76 LYS N N 15 0.769270937382 0.0610846182798 . . . . . . . 26711 1 55 . . 2 2 77 77 ASP N N 15 0.635724778585 0.0383225362903 . . . . . . . 26711 1 56 . . 2 2 79 79 TYR N N 15 0.610164153605 0.0535262152453 . . . . . . . 26711 1 57 . . 2 2 81 81 CYS N N 15 0.61635953712 0.050764364883 . . . . . . . 26711 1 58 . . 2 2 82 82 ARG N N 15 0.592422403702 0.065266154877 . . . . . . . 26711 1 59 . . 2 2 83 83 VAL N N 15 0.661922069734 0.080033709107 . . . . . . . 26711 1 60 . . 2 2 84 84 ASN N N 15 0.66873492072 0.0652579054115 . . . . . . . 26711 1 61 . . 2 2 85 85 HIS N N 15 0.654418588875 0.0371394207838 . . . . . . . 26711 1 62 . . 2 2 86 86 VAL N N 15 0.579638988128 0.0817467859089 . . . . . . . 26711 1 63 . . 2 2 87 87 THR N N 15 0.662325166904 0.0883539438332 . . . . . . . 26711 1 64 . . 2 2 88 88 LEU N N 15 0.612693223928 0.0400736462988 . . . . . . . 26711 1 65 . . 2 2 90 90 GLN N N 15 0.68201595657 0.0216059608753 . . . . . . . 26711 1 66 . . 2 2 92 92 LYS N N 15 0.614847535986 0.0654786938344 . . . . . . . 26711 1 67 . . 2 2 93 93 ILE N N 15 0.57976669448 0.0335903974145 . . . . . . . 26711 1 68 . . 2 2 94 94 VAL N N 15 0.55616095218 0.0625155144845 . . . . . . . 26711 1 69 . . 2 2 95 95 LYS N N 15 0.668957771827 0.0485893945401 . . . . . . . 26711 1 70 . . 2 2 96 96 TRP N N 15 0.651901234842 0.0818666223761 . . . . . . . 26711 1 71 . . 2 2 96 96 TRP NE1 N 15 0.526529603899 0.0615158891329 . . . . . . . 26711 1 72 . . 2 2 97 97 ASP N N 15 0.666303083483 0.0662226050103 . . . . . . . 26711 1 73 . . 2 2 98 98 ARG N N 15 0.608353553774 0.093246381237 . . . . . . . 26711 1 74 . . 2 2 99 99 ASP N N 15 0.65064713259 0.0364126756037 . . . . . . . 26711 1 75 . . 2 2 100 100 MET N N 15 0.679883857966 0.028661665211 . . . . . . . 26711 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 26711 _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 . 26711 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 17.023076016 0.79135405636 . . . . . . . 26711 2 2 . . 2 2 8 8 ILE N N 15 21.8019024369 1.89309909022 . . . . . . . 26711 2 3 . . 2 2 9 9 GLN N N 15 37.1357984417 4.69259769461 . . . . . . . 26711 2 4 . . 2 2 12 12 SER N N 15 25.8461855618 2.72030897478 . . . . . . . 26711 2 5 . . 2 2 13 13 ARG N N 15 30.6303063554 4.43790986016 . . . . . . . 26711 2 6 . . 2 2 14 14 HIS N N 15 23.3147959528 1.70245959572 . . . . . . . 26711 2 7 . . 2 2 17 17 GLU N N 15 26.4457702231 2.98869868859 . . . . . . . 26711 2 8 . . 2 2 19 19 GLY N N 15 32.897795051 4.76706621222 . . . . . . . 26711 2 9 . . 2 2 20 20 LYS N N 15 29.8671636748 1.15932099962 . . . . . . . 26711 2 10 . . 2 2 23 23 PHE N N 15 32.7796534602 3.13898712761 . . . . . . . 26711 2 11 . . 2 2 25 25 ASN N N 15 24.9089294912 3.86502170339 . . . . . . . 26711 2 12 . . 2 2 26 26 CYS N N 15 30.0202664126 3.59493167823 . . . . . . . 26711 2 13 . . 2 2 27 27 TYR N N 15 32.8241749063 6.47718916268 . . . . . . . 26711 2 14 . . 2 2 29 29 SER N N 15 38.1984590183 4.85146076634 . . . . . . . 26711 2 15 . . 2 2 30 30 GLY N N 15 25.5783259517 3.05437536088 . . . . . . . 26711 2 16 . . 2 2 31 31 PHE N N 15 28.4831646044 3.09509314343 . . . . . . . 26711 2 17 . . 2 2 34 34 SER N N 15 36.8722320653 8.81309356653 . . . . . . . 26711 2 18 . . 2 2 35 35 ASP N N 15 29.6885179043 1.14785864101 . . . . . . . 26711 2 19 . . 2 2 37 37 GLU N N 15 31.0332859554 3.14332883921 . . . . . . . 26711 2 20 . . 2 2 38 38 VAL N N 15 25.5628533027 1.72274071247 . . . . . . . 26711 2 21 . . 2 2 40 40 LEU N N 15 24.7673719783 2.39941226203 . . . . . . . 26711 2 22 . . 2 2 41 41 LEU N N 15 27.2025263674 3.94716141251 . . . . . . . 26711 2 23 . . 2 2 43 43 ASN N N 15 25.9315165893 2.38051202664 . . . . . . . 26711 2 24 . . 2 2 44 44 GLY N N 15 32.9147774778 4.08655201606 . . . . . . . 26711 2 25 . . 2 2 45 45 GLU N N 15 31.7064801348 1.32598163516 . . . . . . . 26711 2 26 . . 2 2 46 46 ARG N N 15 25.8008048226 2.71048571553 . . . . . . . 26711 2 27 . . 2 2 47 47 ILE N N 15 31.6641168515 4.10359776551 . . . . . . . 26711 2 28 . . 2 2 48 48 GLU N N 15 27.5061073627 2.15351235705 . . . . . . . 26711 2 29 . . 2 2 49 49 LYS N N 15 24.284077932 1.03284554213 . . . . . . . 26711 2 30 . . 2 2 51 51 GLU N N 15 28.1818946001 2.16743587722 . . . . . . . 26711 2 31 . . 2 2 52 52 HIS N N 15 27.1534227231 1.06942226852 . . . . . . . 26711 2 32 . . 2 2 53 53 SER N N 15 33.5355998678 3.9730390648 . . . . . . . 26711 2 33 . . 2 2 54 54 ASP N N 15 25.8833997781 4.5126391412 . . . . . . . 26711 2 34 . . 2 2 55 55 LEU N N 15 28.9306998143 4.40636605897 . . . . . . . 26711 2 35 . . 2 2 56 56 SER N N 15 27.2878512898 3.96953010735 . . . . . . . 26711 2 36 . . 2 2 57 57 PHE N N 15 25.3115148098 1.60331694165 . . . . . . . 26711 2 37 . . 2 2 58 58 SER N N 15 28.3628657072 3.99071944264 . . . . . . . 26711 2 38 . . 2 2 60 60 ASP N N 15 31.3179677832 2.26592286774 . . . . . . . 26711 2 39 . . 2 2 61 61 TRP N N 15 28.1941198649 2.71477096318 . . . . . . . 26711 2 40 . . 2 2 61 61 TRP NE1 N 15 24.1635964063 1.53105371894 . . . . . . . 26711 2 41 . . 2 2 62 62 SER N N 15 33.9138683312 3.25337559697 . . . . . . . 26711 2 42 . . 2 2 63 63 PHE N N 15 16.5171018165 1.83710393053 . . . . . . . 26711 2 43 . . 2 2 64 64 TYR N N 15 30.9879871515 4.46143222193 . . . . . . . 26711 2 44 . . 2 2 65 65 LEU N N 15 27.7527731721 3.12224863943 . . . . . . . 26711 2 45 . . 2 2 66 66 LEU N N 15 26.1156385324 4.86359580486 . . . . . . . 26711 2 46 . . 2 2 67 67 TYR N N 15 28.6125403899 4.31516825278 . . . . . . . 26711 2 47 . . 2 2 68 68 TYR N N 15 28.6274322912 2.64476885137 . . . . . . . 26711 2 48 . . 2 2 69 69 THR N N 15 27.8341150191 2.80648326125 . . . . . . . 26711 2 49 . . 2 2 70 70 GLU N N 15 28.624068789 1.45867172894 . . . . . . . 26711 2 50 . . 2 2 71 71 PHE N N 15 27.5646283584 2.79274304562 . . . . . . . 26711 2 51 . . 2 2 72 72 THR N N 15 30.7437018666 2.26171175575 . . . . . . . 26711 2 52 . . 2 2 74 74 THR N N 15 26.5940328661 1.58373294103 . . . . . . . 26711 2 53 . . 2 2 75 75 GLU N N 15 47.6631514737 148.76935959 . . . . . . . 26711 2 54 . . 2 2 76 76 LYS N N 15 22.786862403 1.18077736162 . . . . . . . 26711 2 55 . . 2 2 77 77 ASP N N 15 26.573405316 1.18383504728 . . . . . . . 26711 2 56 . . 2 2 79 79 TYR N N 15 31.1572622781 2.64116386392 . . . . . . . 26711 2 57 . . 2 2 81 81 CYS N N 15 28.4745650593 2.62731438225 . . . . . . . 26711 2 58 . . 2 2 82 82 ARG N N 15 33.5485305588 3.69459854748 . . . . . . . 26711 2 59 . . 2 2 83 83 VAL N N 15 30.0932370639 3.89529696542 . . . . . . . 26711 2 60 . . 2 2 84 84 ASN N N 15 32.6268499753 3.37090409757 . . . . . . . 26711 2 61 . . 2 2 85 85 HIS N N 15 28.3393381033 1.57803787527 . . . . . . . 26711 2 62 . . 2 2 86 86 VAL N N 15 31.1658977902 3.11658977902 . . . . . . . 26711 2 63 . . 2 2 87 87 THR N N 15 29.4785931254 2.86035070901 . . . . . . . 26711 2 64 . . 2 2 88 88 LEU N N 15 31.8278973863 1.77375762267 . . . . . . . 26711 2 65 . . 2 2 90 90 GLN N N 15 27.7793544447 0.693867204207 . . . . . . . 26711 2 66 . . 2 2 92 92 LYS N N 15 31.0094848855 3.23142634163 . . . . . . . 26711 2 67 . . 2 2 93 93 ILE N N 15 26.8043955449 1.44436988573 . . . . . . . 26711 2 68 . . 2 2 94 94 VAL N N 15 30.2309183325 3.04067890682 . . . . . . . 26711 2 69 . . 2 2 95 95 LYS N N 15 26.8969222124 1.8515007711 . . . . . . . 26711 2 70 . . 2 2 96 96 TRP N N 15 26.7374186031 3.1194416011 . . . . . . . 26711 2 71 . . 2 2 96 96 TRP NE1 N 15 21.9514489096 1.98137010104 . . . . . . . 26711 2 72 . . 2 2 97 97 ASP N N 15 28.3468644649 2.79992422986 . . . . . . . 26711 2 73 . . 2 2 98 98 ARG N N 15 30.997927682 3.3141143767 . . . . . . . 26711 2 74 . . 2 2 99 99 ASP N N 15 27.7359360437 1.35279313053 . . . . . . . 26711 2 75 . . 2 2 100 100 MET N N 15 24.3148689229 0.938589135824 . . . . . . . 26711 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 26711 _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 . 26711 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 0.774527004122 0.0507057309367 . . . . . . . 26711 3 2 . . 2 2 8 8 ILE N N 15 0.435592270559 0.0657819197464 . . . . . . . 26711 3 3 . . 2 2 9 9 GLN N N 15 0.460256275037 0.0465826665227 . . . . . . . 26711 3 4 . . 2 2 12 12 SER N N 15 0.456362369474 0.0402289705175 . . . . . . . 26711 3 5 . . 2 2 13 13 ARG N N 15 0.500026973253 0.0653198730174 . . . . . . . 26711 3 6 . . 2 2 14 14 HIS N N 15 0.441225080528 0.0342098086458 . . . . . . . 26711 3 7 . . 2 2 17 17 GLU N N 15 0.51461409895 0.055972673337 . . . . . . . 26711 3 8 . . 2 2 19 19 GLY N N 15 0.429079339438 0.0670479765684 . . . . . . . 26711 3 9 . . 2 2 20 20 LYS N N 15 0.517490602781 0.0229882257568 . . . . . . . 26711 3 10 . . 2 2 23 23 PHE N N 15 0.405461361136 0.054146695608 . . . . . . . 26711 3 11 . . 2 2 25 25 ASN N N 15 0.406066972892 0.0513718026487 . . . . . . . 26711 3 12 . . 2 2 26 26 CYS N N 15 0.370410378141 0.0407121958205 . . . . . . . 26711 3 13 . . 2 2 27 27 TYR N N 15 0.458107948307 0.0753091923766 . . . . . . . 26711 3 14 . . 2 2 29 29 SER N N 15 0.443430686901 0.052265510355 . . . . . . . 26711 3 15 . . 2 2 30 30 GLY N N 15 0.370034089251 0.0509794015443 . . . . . . . 26711 3 16 . . 2 2 31 31 PHE N N 15 0.478563518426 0.0325608763515 . . . . . . . 26711 3 17 . . 2 2 34 34 SER N N 15 0.455427649993 0.0980443882506 . . . . . . . 26711 3 18 . . 2 2 35 35 ASP N N 15 0.46340889526 0.0170957617741 . . . . . . . 26711 3 19 . . 2 2 37 37 GLU N N 15 0.450732783324 0.0450732783324 . . . . . . . 26711 3 20 . . 2 2 38 38 VAL N N 15 0.402231821016 0.0274024626932 . . . . . . . 26711 3 21 . . 2 2 40 40 LEU N N 15 0.413901273531 0.0390388682252 . . . . . . . 26711 3 22 . . 2 2 41 41 LEU N N 15 0.471164035437 0.0482001761737 . . . . . . . 26711 3 23 . . 2 2 43 43 ASN N N 15 0.479155837774 0.0538694542233 . . . . . . . 26711 3 24 . . 2 2 44 44 GLY N N 15 0.53495126742 0.0599861173368 . . . . . . . 26711 3 25 . . 2 2 45 45 GLU N N 15 0.491431511148 0.0204530557775 . . . . . . . 26711 3 26 . . 2 2 46 46 ARG N N 15 0.573081278129 0.0607627952973 . . . . . . . 26711 3 27 . . 2 2 47 47 ILE N N 15 0.463144826653 0.0565974265446 . . . . . . . 26711 3 28 . . 2 2 48 48 GLU N N 15 0.50328818661 0.0434777728814 . . . . . . . 26711 3 29 . . 2 2 49 49 LYS N N 15 0.464462155844 0.0259589784884 . . . . . . . 26711 3 30 . . 2 2 51 51 GLU N N 15 0.443404691344 0.0338138584824 . . . . . . . 26711 3 31 . . 2 2 52 52 HIS N N 15 0.436203484922 0.0198275058415 . . . . . . . 26711 3 32 . . 2 2 53 53 SER N N 15 0.409986038368 0.0652421804877 . . . . . . . 26711 3 33 . . 2 2 54 54 ASP N N 15 0.543278801643 0.126096694211 . . . . . . . 26711 3 34 . . 2 2 55 55 LEU N N 15 0.515682705754 0.0849424956488 . . . . . . . 26711 3 35 . . 2 2 56 56 SER N N 15 0.424597082366 0.0667552249018 . . . . . . . 26711 3 36 . . 2 2 57 57 PHE N N 15 0.448486353467 0.0390831044513 . . . . . . . 26711 3 37 . . 2 2 58 58 SER N N 15 0.438866060087 0.0721452362999 . . . . . . . 26711 3 38 . . 2 2 60 60 ASP N N 15 0.482882160765 0.0407119830783 . . . . . . . 26711 3 39 . . 2 2 61 61 TRP N N 15 0.463296983839 0.0511983960947 . . . . . . . 26711 3 40 . . 2 2 61 61 TRP NE1 N 15 0.379441874681 0.0440659979498 . . . . . . . 26711 3 41 . . 2 2 62 62 SER N N 15 0.452077308236 0.0562988370306 . . . . . . . 26711 3 42 . . 2 2 63 63 PHE N N 15 0.549605061777 0.0723340779059 . . . . . . . 26711 3 43 . . 2 2 64 64 TYR N N 15 0.388892240078 0.0572671566841 . . . . . . . 26711 3 44 . . 2 2 65 65 LEU N N 15 0.450696617033 0.0539914354838 . . . . . . . 26711 3 45 . . 2 2 66 66 LEU N N 15 0.464579171468 0.0782722582726 . . . . . . . 26711 3 46 . . 2 2 67 67 TYR N N 15 0.433734270446 0.0649755729789 . . . . . . . 26711 3 47 . . 2 2 68 68 TYR N N 15 0.380680004028 0.0357647617232 . . . . . . . 26711 3 48 . . 2 2 69 69 THR N N 15 0.429258701662 0.0414750055161 . . . . . . . 26711 3 49 . . 2 2 70 70 GLU N N 15 0.450199885974 0.0254128903996 . . . . . . . 26711 3 50 . . 2 2 71 71 PHE N N 15 0.511540724891 0.0490524658555 . . . . . . . 26711 3 51 . . 2 2 72 72 THR N N 15 0.444406797354 0.0438347481191 . . . . . . . 26711 3 52 . . 2 2 74 74 THR N N 15 0.459381838199 0.0338695508997 . . . . . . . 26711 3 53 . . 2 2 75 75 GLU N N 15 0.654671898515 0.201481028733 . . . . . . . 26711 3 54 . . 2 2 76 76 LYS N N 15 0.578967329822 0.0418613676898 . . . . . . . 26711 3 55 . . 2 2 77 77 ASP N N 15 0.514625783633 0.0214397640636 . . . . . . . 26711 3 56 . . 2 2 79 79 TYR N N 15 0.44036179839 0.0427121550871 . . . . . . . 26711 3 57 . . 2 2 81 81 CYS N N 15 0.463392630697 0.034115180633 . . . . . . . 26711 3 58 . . 2 2 82 82 ARG N N 15 0.487884403046 0.045557011236 . . . . . . . 26711 3 59 . . 2 2 83 83 VAL N N 15 0.445450780244 0.0503971087019 . . . . . . . 26711 3 60 . . 2 2 84 84 ASN N N 15 0.493893641331 0.0457468411377 . . . . . . . 26711 3 61 . . 2 2 85 85 HIS N N 15 0.486003651621 0.025025209869 . . . . . . . 26711 3 62 . . 2 2 86 86 VAL N N 15 0.553219206448 0.0621374426496 . . . . . . . 26711 3 63 . . 2 2 87 87 THR N N 15 0.483216921626 0.046622986263 . . . . . . . 26711 3 64 . . 2 2 88 88 LEU N N 15 0.459073704106 0.0250945307918 . . . . . . . 26711 3 65 . . 2 2 90 90 GLN N N 15 0.5574368726 0.0143416341583 . . . . . . . 26711 3 66 . . 2 2 92 92 LYS N N 15 0.455484913919 0.0420481405722 . . . . . . . 26711 3 67 . . 2 2 93 93 ILE N N 15 0.536435463644 0.0248376026415 . . . . . . . 26711 3 68 . . 2 2 94 94 VAL N N 15 0.51211148649 0.0460474767685 . . . . . . . 26711 3 69 . . 2 2 95 95 LYS N N 15 0.48700704214 0.0378664728484 . . . . . . . 26711 3 70 . . 2 2 96 96 TRP N N 15 0.467349755497 0.054607409236 . . . . . . . 26711 3 71 . . 2 2 96 96 TRP NE1 N 15 0.370571150406 0.0464935930859 . . . . . . . 26711 3 72 . . 2 2 97 97 ASP N N 15 0.445352378342 0.0459162777134 . . . . . . . 26711 3 73 . . 2 2 98 98 ARG N N 15 0.394253051376 0.063073253821 . . . . . . . 26711 3 74 . . 2 2 99 99 ASP N N 15 0.523676097467 0.0248123626447 . . . . . . . 26711 3 75 . . 2 2 100 100 MET N N 15 0.470889782588 0.0225419610858 . . . . . . . 26711 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 26711 _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 . 26711 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 18.5911173423 0.874353530301 . . . . . . . 26711 4 2 . . 2 2 8 8 ILE N N 15 23.234950602 2.22194782734 . . . . . . . 26711 4 3 . . 2 2 9 9 GLN N N 15 32.3872140793 3.4778706568 . . . . . . . 26711 4 4 . . 2 2 12 12 SER N N 15 37.0033380112 3.76439888456 . . . . . . . 26711 4 5 . . 2 2 13 13 ARG N N 15 32.6621567671 4.64789030829 . . . . . . . 26711 4 6 . . 2 2 14 14 HIS N N 15 29.2604097799 2.05608520867 . . . . . . . 26711 4 7 . . 2 2 17 17 GLU N N 15 30.1215285636 3.20923552972 . . . . . . . 26711 4 8 . . 2 2 19 19 GLY N N 15 27.4403793052 3.64818512815 . . . . . . . 26711 4 9 . . 2 2 20 20 LYS N N 15 32.9265413278 1.32090838706 . . . . . . . 26711 4 10 . . 2 2 23 23 PHE N N 15 26.3372455901 3.37998090954 . . . . . . . 26711 4 11 . . 2 2 25 25 ASN N N 15 41.53793577 6.08182430096 . . . . . . . 26711 4 12 . . 2 2 26 26 CYS N N 15 27.2767435324 3.19182299289 . . . . . . . 26711 4 13 . . 2 2 27 27 TYR N N 15 40.7699928762 10.1303594475 . . . . . . . 26711 4 14 . . 2 2 29 29 SER N N 15 36.1766700623 4.59796820807 . . . . . . . 26711 4 15 . . 2 2 30 30 GLY N N 15 33.0317564961 3.63992121765 . . . . . . . 26711 4 16 . . 2 2 31 31 PHE N N 15 29.4297722334 2.31233377851 . . . . . . . 26711 4 17 . . 2 2 34 34 SER N N 15 32.1447724714 7.56129686371 . . . . . . . 26711 4 18 . . 2 2 35 35 ASP N N 15 31.6309814472 1.05243807172 . . . . . . . 26711 4 19 . . 2 2 37 37 GLU N N 15 38.1606232604 3.49119731822 . . . . . . . 26711 4 20 . . 2 2 38 38 VAL N N 15 31.3385482664 2.03646772686 . . . . . . . 26711 4 21 . . 2 2 40 40 LEU N N 15 28.3932278015 2.33311078193 . . . . . . . 26711 4 22 . . 2 2 41 41 LEU N N 15 33.8270312064 4.16022908007 . . . . . . . 26711 4 23 . . 2 2 43 43 ASN N N 15 26.0898742571 3.14924263116 . . . . . . . 26711 4 24 . . 2 2 44 44 GLY N N 15 27.7059431557 3.07572459299 . . . . . . . 26711 4 25 . . 2 2 45 45 GLU N N 15 33.9188811487 1.60581385392 . . . . . . . 26711 4 26 . . 2 2 46 46 ARG N N 15 29.9033936534 2.71972652614 . . . . . . . 26711 4 27 . . 2 2 47 47 ILE N N 15 34.7119662456 4.54679575943 . . . . . . . 26711 4 28 . . 2 2 48 48 GLU N N 15 35.1684436836 2.70415064309 . . . . . . . 26711 4 29 . . 2 2 49 49 LYS N N 15 26.4063974217 1.20376895557 . . . . . . . 26711 4 30 . . 2 2 51 51 GLU N N 15 35.9293802227 2.924554283 . . . . . . . 26711 4 31 . . 2 2 52 52 HIS N N 15 31.1792322322 1.37221123494 . . . . . . . 26711 4 32 . . 2 2 53 53 SER N N 15 34.6050198636 4.63354061035 . . . . . . . 26711 4 33 . . 2 2 54 54 ASP N N 15 38.3245115705 7.54431709621 . . . . . . . 26711 4 34 . . 2 2 55 55 LEU N N 15 29.178986645 3.64373851311 . . . . . . . 26711 4 35 . . 2 2 56 56 SER N N 15 36.706838498 5.79242918402 . . . . . . . 26711 4 36 . . 2 2 57 57 PHE N N 15 30.4623749314 2.25001114398 . . . . . . . 26711 4 37 . . 2 2 58 58 SER N N 15 30.8014706362 4.70779934392 . . . . . . . 26711 4 38 . . 2 2 60 60 ASP N N 15 30.6782011315 2.13362805337 . . . . . . . 26711 4 39 . . 2 2 61 61 TRP N N 15 37.6478709865 4.13331186081 . . . . . . . 26711 4 40 . . 2 2 61 61 TRP NE1 N 15 26.3247839358 2.63247839358 . . . . . . . 26711 4 41 . . 2 2 62 62 SER N N 15 56.0259308269 7.79163328701 . . . . . . . 26711 4 42 . . 2 2 63 63 PHE N N 15 22.7431835049 2.45534922466 . . . . . . . 26711 4 43 . . 2 2 64 64 TYR N N 15 32.3172609478 5.17104795742 . . . . . . . 26711 4 44 . . 2 2 65 65 LEU N N 15 27.9658578905 3.60031271554 . . . . . . . 26711 4 45 . . 2 2 66 66 LEU N N 15 21.8611278336 4.01050559342 . . . . . . . 26711 4 46 . . 2 2 67 67 TYR N N 15 33.8568008711 5.41674158882 . . . . . . . 26711 4 47 . . 2 2 68 68 TYR N N 15 41.3198999457 4.11221935879 . . . . . . . 26711 4 48 . . 2 2 69 69 THR N N 15 29.5613354434 2.66961823306 . . . . . . . 26711 4 49 . . 2 2 70 70 GLU N N 15 33.589961046 1.88808348098 . . . . . . . 26711 4 50 . . 2 2 71 71 PHE N N 15 28.6303631972 2.79531192691 . . . . . . . 26711 4 51 . . 2 2 72 72 THR N N 15 31.9027666626 2.65828042739 . . . . . . . 26711 4 52 . . 2 2 74 74 THR N N 15 31.3330231157 1.78914213311 . . . . . . . 26711 4 53 . . 2 2 75 75 GLU N N 15 32.3705231591 199.910987288 . . . . . . . 26711 4 54 . . 2 2 76 76 LYS N N 15 24.9303662952 1.31181720002 . . . . . . . 26711 4 55 . . 2 2 77 77 ASP N N 15 28.5621758587 1.08793913976 . . . . . . . 26711 4 56 . . 2 2 79 79 TYR N N 15 29.6450179719 2.70052200613 . . . . . . . 26711 4 57 . . 2 2 81 81 CYS N N 15 33.3087427471 3.16855236771 . . . . . . . 26711 4 58 . . 2 2 82 82 ARG N N 15 35.0083718108 4.32072577005 . . . . . . . 26711 4 59 . . 2 2 83 83 VAL N N 15 36.1272628584 5.50324516454 . . . . . . . 26711 4 60 . . 2 2 84 84 ASN N N 15 32.827310229 3.20630131371 . . . . . . . 26711 4 61 . . 2 2 85 85 HIS N N 15 30.4477464253 1.83319094142 . . . . . . . 26711 4 62 . . 2 2 86 86 VAL N N 15 33.6555650661 3.76991415949 . . . . . . . 26711 4 63 . . 2 2 87 87 THR N N 15 30.6429090217 2.69694766484 . . . . . . . 26711 4 64 . . 2 2 88 88 LEU N N 15 35.4042670155 2.09956724853 . . . . . . . 26711 4 65 . . 2 2 90 90 GLN N N 15 28.4272708795 0.706073863662 . . . . . . . 26711 4 66 . . 2 2 92 92 LYS N N 15 32.631293378 2.86117616299 . . . . . . . 26711 4 67 . . 2 2 93 93 ILE N N 15 29.5397598146 1.41647725417 . . . . . . . 26711 4 68 . . 2 2 94 94 VAL N N 15 29.4337098149 3.18213824055 . . . . . . . 26711 4 69 . . 2 2 95 95 LYS N N 15 30.1400192051 2.10519962167 . . . . . . . 26711 4 70 . . 2 2 96 96 TRP N N 15 25.8575859911 2.81019810611 . . . . . . . 26711 4 71 . . 2 2 96 96 TRP NE1 N 15 26.7913733892 3.06766499588 . . . . . . . 26711 4 72 . . 2 2 97 97 ASP N N 15 36.9111404772 5.01144501439 . . . . . . . 26711 4 73 . . 2 2 98 98 ARG N N 15 31.8738631637 3.43431898314 . . . . . . . 26711 4 74 . . 2 2 99 99 ASP N N 15 32.203177428 1.5374658823 . . . . . . . 26711 4 75 . . 2 2 100 100 MET N N 15 27.359230641 1.05562583719 . . . . . . . 26711 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 26711 _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 . 26711 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 1 201 201 LYS N N 15 0.560195207392 0.0097773404699 . . . . . . . 26711 5 2 . . 1 1 202 202 THR N N 15 0.6768667731 0.00992569868928 . . . . . . . 26711 5 3 . . 1 1 203 203 HIS N N 15 0.588731696218 0.0107787648759 . . . . . . . 26711 5 4 . . 1 1 205 205 THR N N 15 0.568313282973 0.00759855192559 . . . . . . . 26711 5 5 . . 1 1 206 206 HIS N N 15 0.635902782198 0.00752847302156 . . . . . . . 26711 5 6 . . 1 1 209 209 ILE N N 15 0.610781305253 0.0102719182945 . . . . . . . 26711 5 7 . . 1 1 210 210 SER N N 15 0.839049066508 0.0110623684388 . . . . . . . 26711 5 8 . . 1 1 212 212 HIS N N 15 0.579095466724 0.0377309510955 . . . . . . . 26711 5 9 . . 1 1 213 213 GLU N N 15 0.639088841083 0.0102522545428 . . . . . . . 26711 5 10 . . 1 1 214 214 ALA N N 15 0.596244001534 0.00881330837732 . . . . . . . 26711 5 11 . . 1 1 215 215 THR N N 15 0.559146408251 0.00647156569297 . . . . . . . 26711 5 12 . . 1 1 218 218 CYS N N 15 0.585993241915 0.011112563833 . . . . . . . 26711 5 13 . . 1 1 219 219 TRP N N 15 0.547476452775 0.00824741574519 . . . . . . . 26711 5 14 . . 1 1 220 220 ALA N N 15 0.571840291561 0.00875226544209 . . . . . . . 26711 5 15 . . 1 1 222 222 GLY N N 15 0.557625451067 0.0108946213443 . . . . . . . 26711 5 16 . . 1 1 228 228 ILE N N 15 0.588907764255 0.00902674732195 . . . . . . . 26711 5 17 . . 1 1 230 230 LEU N N 15 0.592446219833 0.00596712531052 . . . . . . . 26711 5 18 . . 1 1 231 231 THR N N 15 0.600946675211 0.00632954332893 . . . . . . . 26711 5 19 . . 1 1 232 232 TRP N N 15 0.605714107185 0.00706568535725 . . . . . . . 26711 5 20 . . 1 1 233 233 GLN N N 15 0.58937727687 0.00737241530488 . . . . . . . 26711 5 21 . . 1 1 234 234 ARG N N 15 0.603641780781 0.00690525218771 . . . . . . . 26711 5 22 . . 1 1 235 235 ASP N N 15 0.735229184472 0.0110075032303 . . . . . . . 26711 5 23 . . 1 1 236 236 GLY N N 15 0.681993575546 0.0174075789524 . . . . . . . 26711 5 24 . . 1 1 237 237 GLU N N 15 0.738971521141 0.00729224469738 . . . . . . . 26711 5 25 . . 1 1 242 242 ASP N N 15 0.730972076558 0.0146194415312 . . . . . . . 26711 5 26 . . 1 1 243 243 THR N N 15 0.685887467638 0.00882015616593 . . . . . . . 26711 5 27 . . 1 1 244 244 GLU N N 15 0.587110059731 0.00859217183424 . . . . . . . 26711 5 28 . . 1 1 245 245 LEU N N 15 0.642139420811 0.00610238260345 . . . . . . . 26711 5 29 . . 1 1 246 246 VAL N N 15 0.581472096695 0.00744541076015 . . . . . . . 26711 5 30 . . 1 1 247 247 GLU N N 15 0.659989183882 0.0072221235411 . . . . . . . 26711 5 31 . . 1 1 249 249 ARG N N 15 0.600963313821 0.012511169949 . . . . . . . 26711 5 32 . . 1 1 251 251 ALA N N 15 0.621599374723 0.0131101479829 . . . . . . . 26711 5 33 . . 1 1 252 252 GLY N N 15 0.713667080693 0.0282866829132 . . . . . . . 26711 5 34 . . 1 1 253 253 ASP N N 15 0.743212899974 0.020938675344 . . . . . . . 26711 5 35 . . 1 1 255 255 THR N N 15 0.727484861756 0.0239019728 . . . . . . . 26711 5 36 . . 1 1 256 256 PHE N N 15 0.632657535363 0.0150610952643 . . . . . . . 26711 5 37 . . 1 1 257 257 GLN N N 15 0.549847023355 0.00916071823749 . . . . . . . 26711 5 38 . . 1 1 259 259 TRP N N 15 0.529541242745 0.00749781927426 . . . . . . . 26711 5 39 . . 1 1 260 260 ALA N N 15 0.585749359103 0.0082034896883 . . . . . . . 26711 5 40 . . 1 1 261 261 ALA N N 15 0.572973766769 0.0123493415018 . . . . . . . 26711 5 41 . . 1 1 263 263 VAL N N 15 0.582828359279 0.00654335064032 . . . . . . . 26711 5 42 . . 1 1 266 266 SER N N 15 0.623563897449 0.00559595027258 . . . . . . . 26711 5 43 . . 1 1 267 267 GLY N N 15 0.633461590045 0.00801388561694 . . . . . . . 26711 5 44 . . 1 1 269 269 GLU N N 15 0.595054387796 0.0111082119072 . . . . . . . 26711 5 45 . . 1 1 270 270 GLN N N 15 0.665113998642 0.0119981622543 . . . . . . . 26711 5 46 . . 1 1 272 272 TYR N N 15 0.634165582758 0.00837077357372 . . . . . . . 26711 5 47 . . 1 1 273 273 THR N N 15 0.611231570218 0.00721272068269 . . . . . . . 26711 5 48 . . 1 1 274 274 CYS N N 15 0.577144629763 0.00906390786024 . . . . . . . 26711 5 49 . . 1 1 275 275 HIS N N 15 0.618711837245 0.00703188861103 . . . . . . . 26711 5 50 . . 1 1 276 276 VAL N N 15 0.580642901731 0.00803178342799 . . . . . . . 26711 5 51 . . 1 1 278 278 HIS N N 15 0.596437637026 0.00760362582809 . . . . . . . 26711 5 52 . . 1 1 279 279 GLU N N 15 0.689542949394 0.00944103423852 . . . . . . . 26711 5 53 . . 1 1 280 280 GLY N N 15 0.64494458711 0.0185260346126 . . . . . . . 26711 5 54 . . 1 1 283 283 LYS N N 15 0.614715511336 0.0106235720456 . . . . . . . 26711 5 55 . . 1 1 287 287 LEU N N 15 0.601413095742 0.00783518555388 . . . . . . . 26711 5 56 . . 1 1 288 288 ARG N N 15 0.629010850173 0.00507174949652 . . . . . . . 26711 5 57 . . 1 1 289 289 TRP N N 15 0.652406611891 0.00535324736395 . . . . . . . 26711 5 58 . . 1 1 290 290 GLU N N 15 0.693524470272 0.00462686967368 . . . . . . . 26711 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 26711 _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 . 26711 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 1 201 201 LYS N N 15 29.3198462448 0.889012028102 . . . . . . . 26711 6 2 . . 1 1 202 202 THR N N 15 25.9277215364 0.421561035007 . . . . . . . 26711 6 3 . . 1 1 203 203 HIS N N 15 27.6511067284 0.813683259091 . . . . . . . 26711 6 4 . . 1 1 205 205 THR N N 15 32.9170618161 0.760517433824 . . . . . . . 26711 6 5 . . 1 1 206 206 HIS N N 15 26.8882681479 0.41049874282 . . . . . . . 26711 6 6 . . 1 1 209 209 ILE N N 15 27.3960658375 0.601298447002 . . . . . . . 26711 6 7 . . 1 1 210 210 SER N N 15 21.4362669563 0.389963725119 . . . . . . . 26711 6 8 . . 1 1 212 212 HIS N N 15 20.3410087143 1.35403778701 . . . . . . . 26711 6 9 . . 1 1 213 213 GLU N N 15 27.0761150682 0.577576673167 . . . . . . . 26711 6 10 . . 1 1 214 214 ALA N N 15 27.1518241645 0.554899825201 . . . . . . . 26711 6 11 . . 1 1 215 215 THR N N 15 28.9132398064 0.50677836035 . . . . . . . 26711 6 12 . . 1 1 218 218 CYS N N 15 27.4085558601 1.17977302718 . . . . . . . 26711 6 13 . . 1 1 219 219 TRP N N 15 31.8778836927 0.940467857838 . . . . . . . 26711 6 14 . . 1 1 220 220 ALA N N 15 30.2794322249 0.941578589629 . . . . . . . 26711 6 15 . . 1 1 222 222 GLY N N 15 25.8895690762 0.689222814388 . . . . . . . 26711 6 16 . . 1 1 228 228 ILE N N 15 29.302674672 0.571539516699 . . . . . . . 26711 6 17 . . 1 1 230 230 LEU N N 15 27.3573199615 0.392899678601 . . . . . . . 26711 6 18 . . 1 1 231 231 THR N N 15 28.5776526245 0.513225009952 . . . . . . . 26711 6 19 . . 1 1 232 232 TRP N N 15 28.0991438619 0.421849657625 . . . . . . . 26711 6 20 . . 1 1 233 233 GLN N N 15 28.2057943239 0.484075924612 . . . . . . . 26711 6 21 . . 1 1 234 234 ARG N N 15 28.7704639709 0.459414983303 . . . . . . . 26711 6 22 . . 1 1 235 235 ASP N N 15 27.9822751079 0.480629924064 . . . . . . . 26711 6 23 . . 1 1 236 236 GLY N N 15 28.0608344908 0.665191121432 . . . . . . . 26711 6 24 . . 1 1 237 237 GLU N N 15 26.9844725612 0.38504479784 . . . . . . . 26711 6 25 . . 1 1 242 242 ASP N N 15 24.902225785 0.552283730579 . . . . . . . 26711 6 26 . . 1 1 243 243 THR N N 15 25.1182806339 0.421581015606 . . . . . . . 26711 6 27 . . 1 1 244 244 GLU N N 15 28.3113357573 0.689521792725 . . . . . . . 26711 6 28 . . 1 1 245 245 LEU N N 15 25.0782992428 0.348584238936 . . . . . . . 26711 6 29 . . 1 1 246 246 VAL N N 15 26.507096183 0.522741693305 . . . . . . . 26711 6 30 . . 1 1 247 247 GLU N N 15 24.8957598994 0.381592977043 . . . . . . . 26711 6 31 . . 1 1 249 249 ARG N N 15 34.4715977371 1.33157936974 . . . . . . . 26711 6 32 . . 1 1 251 251 ALA N N 15 29.4514992682 0.861152138073 . . . . . . . 26711 6 33 . . 1 1 252 252 GLY N N 15 27.5382111909 1.51711847516 . . . . . . . 26711 6 34 . . 1 1 253 253 ASP N N 15 32.7937153525 1.51908440265 . . . . . . . 26711 6 35 . . 1 1 255 255 THR N N 15 24.3375465966 1.18052720857 . . . . . . . 26711 6 36 . . 1 1 256 256 PHE N N 15 28.2811346867 1.19159031816 . . . . . . . 26711 6 37 . . 1 1 257 257 GLN N N 15 28.8591037932 0.882148488625 . . . . . . . 26711 6 38 . . 1 1 259 259 TRP N N 15 29.2720781055 0.817038525473 . . . . . . . 26711 6 39 . . 1 1 260 260 ALA N N 15 29.1632759839 0.837569420873 . . . . . . . 26711 6 40 . . 1 1 261 261 ALA N N 15 28.1418092571 1.10018401435 . . . . . . . 26711 6 41 . . 1 1 263 263 VAL N N 15 25.942023042 0.414210389127 . . . . . . . 26711 6 42 . . 1 1 266 266 SER N N 15 25.688152128 0.330115011258 . . . . . . . 26711 6 43 . . 1 1 267 267 GLY N N 15 26.1969008449 0.476243308732 . . . . . . . 26711 6 44 . . 1 1 269 269 GLU N N 15 28.2955334462 0.753588218454 . . . . . . . 26711 6 45 . . 1 1 270 270 GLN N N 15 28.9844445113 0.643550242285 . . . . . . . 26711 6 46 . . 1 1 272 272 TYR N N 15 26.2504690529 0.479281105377 . . . . . . . 26711 6 47 . . 1 1 273 273 THR N N 15 27.9355111678 0.473884178571 . . . . . . . 26711 6 48 . . 1 1 274 274 CYS N N 15 29.4187163762 0.690027103045 . . . . . . . 26711 6 49 . . 1 1 275 275 HIS N N 15 27.2252334879 0.544502498576 . . . . . . . 26711 6 50 . . 1 1 276 276 VAL N N 15 29.1389713973 0.697606375169 . . . . . . . 26711 6 51 . . 1 1 278 278 HIS N N 15 27.7630887307 0.505569512604 . . . . . . . 26711 6 52 . . 1 1 279 279 GLU N N 15 27.2368984204 0.505012804906 . . . . . . . 26711 6 53 . . 1 1 280 280 GLY N N 15 28.675974606 1.21283287465 . . . . . . . 26711 6 54 . . 1 1 283 283 LYS N N 15 28.9534418449 0.551964445834 . . . . . . . 26711 6 55 . . 1 1 287 287 LEU N N 15 27.4898652731 0.57851215986 . . . . . . . 26711 6 56 . . 1 1 288 288 ARG N N 15 24.2271757148 0.270120022283 . . . . . . . 26711 6 57 . . 1 1 289 289 TRP N N 15 25.5810690789 0.259086726663 . . . . . . . 26711 6 58 . . 1 1 290 290 GLU N N 15 21.4963941595 0.17246604413 . . . . . . . 26711 6 stop_ save_ save_750.46_MHz_R1_relaxation_bottom_3 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 750.46_MHz_R1_relaxation_bottom_3 _Auto_relaxation_list.Entry_ID 26711 _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 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 . 26711 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 1 201 201 LYS N N 15 0.42132936355 0.00721631022205 . . . . . . . 26711 7 2 . . 1 1 202 202 THR N N 15 0.496402432704 0.00616395697073 . . . . . . . 26711 7 3 . . 1 1 203 203 HIS N N 15 0.444570491377 0.00772768267192 . . . . . . . 26711 7 4 . . 1 1 205 205 THR N N 15 0.437626651458 0.00617035383095 . . . . . . . 26711 7 5 . . 1 1 206 206 HIS N N 15 0.485839114248 0.0054375178863 . . . . . . . 26711 7 6 . . 1 1 209 209 ILE N N 15 0.470607579761 0.0070665569846 . . . . . . . 26711 7 7 . . 1 1 210 210 SER N N 15 0.702290761232 0.00925376933655 . . . . . . . 26711 7 8 . . 1 1 212 212 HIS N N 15 0.511222437324 0.0274725553787 . . . . . . . 26711 7 9 . . 1 1 213 213 GLU N N 15 0.492464705237 0.00715596564513 . . . . . . . 26711 7 10 . . 1 1 214 214 ALA N N 15 0.473932981689 0.00568608372028 . . . . . . . 26711 7 11 . . 1 1 215 215 THR N N 15 0.428159628683 0.00504825893873 . . . . . . . 26711 7 12 . . 1 1 218 218 CYS N N 15 0.443380424274 0.00902258091047 . . . . . . . 26711 7 13 . . 1 1 219 219 TRP N N 15 0.424088459368 0.00674258019198 . . . . . . . 26711 7 14 . . 1 1 220 220 ALA N N 15 0.437500745686 0.00690714070967 . . . . . . . 26711 7 15 . . 1 1 222 222 GLY N N 15 0.429853327231 0.00760082203717 . . . . . . . 26711 7 16 . . 1 1 228 228 ILE N N 15 0.444173265937 0.0062018233424 . . . . . . . 26711 7 17 . . 1 1 230 230 LEU N N 15 0.442435563291 0.00432065723157 . . . . . . . 26711 7 18 . . 1 1 231 231 THR N N 15 0.449651441162 0.0052196946546 . . . . . . . 26711 7 19 . . 1 1 232 232 TRP N N 15 0.451909867223 0.00492784786266 . . . . . . . 26711 7 20 . . 1 1 233 233 GLN N N 15 0.45207668086 0.00599141419782 . . . . . . . 26711 7 21 . . 1 1 234 234 ARG N N 15 0.447268571793 0.00491975375113 . . . . . . . 26711 7 22 . . 1 1 235 235 ASP N N 15 0.563325627045 0.00718080515556 . . . . . . . 26711 7 23 . . 1 1 236 236 GLY N N 15 0.540570093043 0.0108531740467 . . . . . . . 26711 7 24 . . 1 1 237 237 GLU N N 15 0.551599103172 0.00490528076722 . . . . . . . 26711 7 25 . . 1 1 242 242 ASP N N 15 0.570278532851 0.00951766166893 . . . . . . . 26711 7 26 . . 1 1 243 243 THR N N 15 0.509122715506 0.00555650986052 . . . . . . . 26711 7 27 . . 1 1 244 244 GLU N N 15 0.461300987306 0.00719042047823 . . . . . . . 26711 7 28 . . 1 1 245 245 LEU N N 15 0.475663927393 0.00474023083019 . . . . . . . 26711 7 29 . . 1 1 246 246 VAL N N 15 0.467016319796 0.00537950932745 . . . . . . . 26711 7 30 . . 1 1 247 247 GLU N N 15 0.484492509831 0.00530328115293 . . . . . . . 26711 7 31 . . 1 1 249 249 ARG N N 15 0.440728801147 0.00892360499386 . . . . . . . 26711 7 32 . . 1 1 251 251 ALA N N 15 0.468086893855 0.0109369473441 . . . . . . . 26711 7 33 . . 1 1 252 252 GLY N N 15 0.514439545898 0.0188932534654 . . . . . . . 26711 7 34 . . 1 1 253 253 ASP N N 15 0.513954025579 0.0125370340046 . . . . . . . 26711 7 35 . . 1 1 255 255 THR N N 15 0.551150258494 0.0163648534716 . . . . . . . 26711 7 36 . . 1 1 256 256 PHE N N 15 0.449713538248 0.0114509389778 . . . . . . . 26711 7 37 . . 1 1 257 257 GLN N N 15 0.399696963962 0.00768387956579 . . . . . . . 26711 7 38 . . 1 1 259 259 TRP N N 15 0.408147972139 0.00596262305364 . . . . . . . 26711 7 39 . . 1 1 260 260 ALA N N 15 0.434120365911 0.00636021957501 . . . . . . . 26711 7 40 . . 1 1 261 261 ALA N N 15 0.419469102538 0.0106979395899 . . . . . . . 26711 7 41 . . 1 1 263 263 VAL N N 15 0.439587479556 0.00500904476935 . . . . . . . 26711 7 42 . . 1 1 266 266 SER N N 15 0.485590595517 0.00420353339769 . . . . . . . 26711 7 43 . . 1 1 267 267 GLY N N 15 0.474816464238 0.00631174335072 . . . . . . . 26711 7 44 . . 1 1 269 269 GLU N N 15 0.452179364555 0.00939943468567 . . . . . . . 26711 7 45 . . 1 1 270 270 GLN N N 15 0.501626951465 0.00741434040883 . . . . . . . 26711 7 46 . . 1 1 272 272 TYR N N 15 0.501346652759 0.00591819602411 . . . . . . . 26711 7 47 . . 1 1 273 273 THR N N 15 0.469310129901 0.00587654367032 . . . . . . . 26711 7 48 . . 1 1 274 274 CYS N N 15 0.430628958094 0.00676797173339 . . . . . . . 26711 7 49 . . 1 1 275 275 HIS N N 15 0.470892686779 0.00600708483041 . . . . . . . 26711 7 50 . . 1 1 276 276 VAL N N 15 0.435308934207 0.00597270442251 . . . . . . . 26711 7 51 . . 1 1 278 278 HIS N N 15 0.438911700966 0.00524632067559 . . . . . . . 26711 7 52 . . 1 1 279 279 GLU N N 15 0.494943197767 0.00710744261566 . . . . . . . 26711 7 53 . . 1 1 280 280 GLY N N 15 0.47282392133 0.0158696301782 . . . . . . . 26711 7 54 . . 1 1 283 283 LYS N N 15 0.500745122804 0.00833837137432 . . . . . . . 26711 7 55 . . 1 1 287 287 LEU N N 15 0.465829161198 0.00652746947303 . . . . . . . 26711 7 56 . . 1 1 288 288 ARG N N 15 0.475403488874 0.00372526663813 . . . . . . . 26711 7 57 . . 1 1 289 289 TRP N N 15 0.514656168518 0.00466617979145 . . . . . . . 26711 7 58 . . 1 1 290 290 GLU N N 15 0.560498679747 0.00341785346446 . . . . . . . 26711 7 stop_ save_ save_750.46_MHz_R2_relaxation_bottom_4 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 750.46_MHz_R2_relaxation_bottom_4 _Auto_relaxation_list.Entry_ID 26711 _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 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 . 26711 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 1 201 201 LYS N N 15 33.4623924688 1.14321054926 . . . . . . . 26711 8 2 . . 1 1 202 202 THR N N 15 31.0090497074 0.451260823087 . . . . . . . 26711 8 3 . . 1 1 203 203 HIS N N 15 30.2131829056 0.8724679801 . . . . . . . 26711 8 4 . . 1 1 205 205 THR N N 15 35.8291880844 0.806050343162 . . . . . . . 26711 8 5 . . 1 1 206 206 HIS N N 15 29.3116795131 0.435170309537 . . . . . . . 26711 8 6 . . 1 1 209 209 ILE N N 15 28.9772354622 0.595031514128 . . . . . . . 26711 8 7 . . 1 1 210 210 SER N N 15 24.4613104115 0.389769116413 . . . . . . . 26711 8 8 . . 1 1 212 212 HIS N N 15 27.6919821336 1.83984764861 . . . . . . . 26711 8 9 . . 1 1 213 213 GLU N N 15 30.4916967673 0.556663648521 . . . . . . . 26711 8 10 . . 1 1 214 214 ALA N N 15 31.0770764933 0.610578061639 . . . . . . . 26711 8 11 . . 1 1 215 215 THR N N 15 30.2141837241 0.496044400299 . . . . . . . 26711 8 12 . . 1 1 218 218 CYS N N 15 32.5897150985 1.35871570604 . . . . . . . 26711 8 13 . . 1 1 219 219 TRP N N 15 35.0276070096 1.05197720881 . . . . . . . 26711 8 14 . . 1 1 220 220 ALA N N 15 32.8487612223 1.13016823937 . . . . . . . 26711 8 15 . . 1 1 222 222 GLY N N 15 26.3941118889 0.68840799391 . . . . . . . 26711 8 16 . . 1 1 228 228 ILE N N 15 33.4589621128 0.754350626299 . . . . . . . 26711 8 17 . . 1 1 230 230 LEU N N 15 28.8638379683 0.443756501885 . . . . . . . 26711 8 18 . . 1 1 231 231 THR N N 15 29.567803878 0.532932315834 . . . . . . . 26711 8 19 . . 1 1 232 232 TRP N N 15 32.016213303 0.492314429194 . . . . . . . 26711 8 20 . . 1 1 233 233 GLN N N 15 29.9161740709 0.503751835272 . . . . . . . 26711 8 21 . . 1 1 234 234 ARG N N 15 30.3228728844 0.43747625503 . . . . . . . 26711 8 22 . . 1 1 235 235 ASP N N 15 31.018686736 0.59868713497 . . . . . . . 26711 8 23 . . 1 1 236 236 GLY N N 15 28.3228589839 0.729720387317 . . . . . . . 26711 8 24 . . 1 1 237 237 GLU N N 15 31.0663372547 0.388821705367 . . . . . . . 26711 8 25 . . 1 1 242 242 ASP N N 15 28.1486627048 0.607262824727 . . . . . . . 26711 8 26 . . 1 1 243 243 THR N N 15 28.3874955385 0.406636158432 . . . . . . . 26711 8 27 . . 1 1 244 244 GLU N N 15 33.928754624 0.991060463813 . . . . . . . 26711 8 28 . . 1 1 245 245 LEU N N 15 29.1636196344 0.443174435356 . . . . . . . 26711 8 29 . . 1 1 246 246 VAL N N 15 31.1591882706 0.615844203506 . . . . . . . 26711 8 30 . . 1 1 247 247 GLU N N 15 24.6721548811 0.37491834642 . . . . . . . 26711 8 31 . . 1 1 249 249 ARG N N 15 38.2145533125 1.65531842165 . . . . . . . 26711 8 32 . . 1 1 251 251 ALA N N 15 32.4039095626 1.06141865637 . . . . . . . 26711 8 33 . . 1 1 252 252 GLY N N 15 29.3664554344 1.55344520024 . . . . . . . 26711 8 34 . . 1 1 253 253 ASP N N 15 35.6532934921 1.34592147312 . . . . . . . 26711 8 35 . . 1 1 255 255 THR N N 15 26.627842839 1.1067083124 . . . . . . . 26711 8 36 . . 1 1 256 256 PHE N N 15 32.6883726797 1.48243629015 . . . . . . . 26711 8 37 . . 1 1 257 257 GLN N N 15 32.3049050841 0.943105291729 . . . . . . . 26711 8 38 . . 1 1 259 259 TRP N N 15 32.5834856059 0.961343859805 . . . . . . . 26711 8 39 . . 1 1 260 260 ALA N N 15 33.9354378392 1.00619791749 . . . . . . . 26711 8 40 . . 1 1 261 261 ALA N N 15 34.950330327 1.83898399956 . . . . . . . 26711 8 41 . . 1 1 263 263 VAL N N 15 28.3783710515 0.501469671945 . . . . . . . 26711 8 42 . . 1 1 266 266 SER N N 15 30.2768042157 0.410188359568 . . . . . . . 26711 8 43 . . 1 1 267 267 GLY N N 15 29.6766957919 0.512316148272 . . . . . . . 26711 8 44 . . 1 1 269 269 GLU N N 15 34.4105367157 1.02246219164 . . . . . . . 26711 8 45 . . 1 1 270 270 GLN N N 15 33.2369174372 0.67912408986 . . . . . . . 26711 8 46 . . 1 1 272 272 TYR N N 15 22.9995330386 0.352185040543 . . . . . . . 26711 8 47 . . 1 1 273 273 THR N N 15 32.2001327235 0.50657654952 . . . . . . . 26711 8 48 . . 1 1 274 274 CYS N N 15 33.8479174817 0.831181024259 . . . . . . . 26711 8 49 . . 1 1 275 275 HIS N N 15 30.7937862596 0.626247158886 . . . . . . . 26711 8 50 . . 1 1 276 276 VAL N N 15 29.7295098621 0.689168457419 . . . . . . . 26711 8 51 . . 1 1 278 278 HIS N N 15 26.9137570228 0.436059894313 . . . . . . . 26711 8 52 . . 1 1 279 279 GLU N N 15 31.2887460634 0.689395391237 . . . . . . . 26711 8 53 . . 1 1 280 280 GLY N N 15 30.361768511 1.60792793399 . . . . . . . 26711 8 54 . . 1 1 283 283 LYS N N 15 26.4261569169 0.528146085475 . . . . . . . 26711 8 55 . . 1 1 287 287 LEU N N 15 30.4889415629 0.672359874173 . . . . . . . 26711 8 56 . . 1 1 288 288 ARG N N 15 28.5249555433 0.313500022973 . . . . . . . 26711 8 57 . . 1 1 289 289 TRP N N 15 28.570703612 0.313484898931 . . . . . . . 26711 8 58 . . 1 1 290 290 GLU N N 15 23.4673824176 0.189897930506 . . . . . . . 26711 8 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 26711 _Auto_relaxation_list.ID 9 _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 . 26711 9 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 0.785693568716 0.00917203246435 . . . . . . . 26711 9 2 . . 1 1 19 19 SER N N 15 0.533533984445 0.0172455003457 . . . . . . . 26711 9 3 . . 1 1 28 28 SER N N 15 0.638685934488 0.00876742015913 . . . . . . . 26711 9 4 . . 1 1 31 31 GLY N N 15 0.666633312816 0.0574043454775 . . . . . . . 26711 9 5 . . 1 1 33 33 GLY N N 15 1.40120544448 5.82509530316 . . . . . . . 26711 9 6 . . 1 1 34 34 GLU N N 15 0.724152126682 0.0161261828348 . . . . . . . 26711 9 7 . . 1 1 36 36 ARG N N 15 0.64155155834 0.0075941381706 . . . . . . . 26711 9 8 . . 1 1 37 37 PHE N N 15 0.655202643319 0.0104738967696 . . . . . . . 26711 9 9 . . 1 1 38 38 ILE N N 15 0.624271495029 0.00763078884122 . . . . . . . 26711 9 10 . . 1 1 40 40 VAL N N 15 0.68146610749 0.0162254619865 . . . . . . . 26711 9 11 . . 1 1 41 41 GLY N N 15 0.621599157431 0.0195023365809 . . . . . . . 26711 9 12 . . 1 1 44 44 ASP N N 15 0.54600718485 0.011847148125 . . . . . . . 26711 9 13 . . 1 1 45 45 ASP N N 15 0.55030788891 0.0253545304601 . . . . . . . 26711 9 14 . . 1 1 46 46 THR N N 15 0.587308179929 0.0229571658472 . . . . . . . 26711 9 15 . . 1 1 47 47 LEU N N 15 0.538065306626 0.0186915333111 . . . . . . . 26711 9 16 . . 1 1 49 49 VAL N N 15 0.633804928936 0.0266325903187 . . . . . . . 26711 9 17 . . 1 1 50 50 ARG N N 15 0.638062937256 0.0142832205391 . . . . . . . 26711 9 18 . . 1 1 51 51 PHE N N 15 0.594286481986 0.011641083845 . . . . . . . 26711 9 19 . . 1 1 52 52 ASP N N 15 0.624425415263 0.0072259253182 . . . . . . . 26711 9 20 . . 1 1 53 53 SER N N 15 0.608161465903 0.00971398283606 . . . . . . . 26711 9 21 . . 1 1 54 54 ASP N N 15 0.608641805228 0.00759583405426 . . . . . . . 26711 9 22 . . 1 1 55 55 ALA N N 15 0.67508078208 0.00639039155473 . . . . . . . 26711 9 23 . . 1 1 57 57 SER N N 15 0.604789841777 0.0272871074118 . . . . . . . 26711 9 24 . . 1 1 63 63 ARG N N 15 0.563864825449 0.0185850693404 . . . . . . . 26711 9 25 . . 1 1 64 64 ALA N N 15 0.529536564907 0.0146063317859 . . . . . . . 26711 9 26 . . 1 1 66 66 TRP N N 15 0.669552885838 0.0200488079094 . . . . . . . 26711 9 27 . . 1 1 67 67 ILE N N 15 0.600373266467 0.0235229395705 . . . . . . . 26711 9 28 . . 1 1 68 68 GLU N N 15 0.565542516627 0.0202358330569 . . . . . . . 26711 9 29 . . 1 1 70 70 GLU N N 15 0.587513388926 0.0103153163474 . . . . . . . 26711 9 30 . . 1 1 71 71 GLY N N 15 0.773777763435 0.010452516704 . . . . . . . 26711 9 31 . . 1 1 73 73 GLU N N 15 0.589221647087 0.0181453151651 . . . . . . . 26711 9 32 . . 1 1 74 74 TYR N N 15 0.651416077209 0.0119946760094 . . . . . . . 26711 9 33 . . 1 1 77 77 ARG N N 15 0.621507500784 0.0102167747422 . . . . . . . 26711 9 34 . . 1 1 82 82 CYS N N 15 0.642854107843 0.0213447264293 . . . . . . . 26711 9 35 . . 1 1 83 83 LYS N N 15 0.618066872576 0.0137282073984 . . . . . . . 26711 9 36 . . 1 1 87 87 GLN N N 15 0.604224420229 0.0163357741065 . . . . . . . 26711 9 37 . . 1 1 90 90 ARG N N 15 0.636394440513 0.0134662000279 . . . . . . . 26711 9 38 . . 1 1 92 92 ASP N N 15 0.621831670058 0.0178608045754 . . . . . . . 26711 9 39 . . 1 1 93 93 LEU N N 15 0.64155393458 0.0100045159239 . . . . . . . 26711 9 40 . . 1 1 94 94 ARG N N 15 0.603221532091 0.0188556848164 . . . . . . . 26711 9 41 . . 1 1 95 95 THR N N 15 1.21469514112 0.00745939533026 . . . . . . . 26711 9 42 . . 1 1 96 96 LEU N N 15 0.666099620769 0.0265597434833 . . . . . . . 26711 9 43 . . 1 1 100 100 TYR N N 15 0.61254086818 0.012642332946 . . . . . . . 26711 9 44 . . 1 1 102 102 GLN N N 15 0.663768708646 0.0156213368568 . . . . . . . 26711 9 45 . . 1 1 106 106 GLY N N 15 0.698959288096 0.0611759802868 . . . . . . . 26711 9 46 . . 1 1 107 107 SER N N 15 0.574178856563 0.0193619465588 . . . . . . . 26711 9 47 . . 1 1 108 108 HIS N N 15 0.612293554551 0.0115670015481 . . . . . . . 26711 9 48 . . 1 1 109 109 THR N N 15 0.615101492382 0.00906830584682 . . . . . . . 26711 9 49 . . 1 1 110 110 LEU N N 15 0.611742605743 0.0131270069543 . . . . . . . 26711 9 50 . . 1 1 112 112 ASN N N 15 0.578436136281 0.0150383861784 . . . . . . . 26711 9 51 . . 1 1 115 115 GLY N N 15 0.609274109024 0.0246709441465 . . . . . . . 26711 9 52 . . 1 1 116 116 CYS N N 15 0.620373728934 0.0245737777417 . . . . . . . 26711 9 53 . . 1 1 118 118 VAL N N 15 0.569400536667 0.0105358014458 . . . . . . . 26711 9 54 . . 1 1 119 119 GLY N N 15 0.559863539639 0.0109377330648 . . . . . . . 26711 9 55 . . 1 1 121 121 ASP N N 15 0.758033482376 0.0114326328881 . . . . . . . 26711 9 56 . . 1 1 122 122 GLY N N 15 0.648867165384 0.0115161297194 . . . . . . . 26711 9 57 . . 1 1 125 125 LEU N N 15 0.62011011602 0.0245629468123 . . . . . . . 26711 9 58 . . 1 1 126 126 ARG N N 15 0.57010818757 0.0228476572443 . . . . . . . 26711 9 59 . . 1 1 127 127 GLY N N 15 0.605339804565 0.0226149620756 . . . . . . . 26711 9 60 . . 1 1 129 129 HIS N N 15 0.555558229918 0.0207100874345 . . . . . . . 26711 9 61 . . 1 1 130 130 GLN N N 15 0.648046873198 0.0179092343171 . . . . . . . 26711 9 62 . . 1 1 132 132 ALA N N 15 0.612324005554 0.0196377724041 . . . . . . . 26711 9 63 . . 1 1 134 134 ASP N N 15 0.619330987725 0.0167075862456 . . . . . . . 26711 9 64 . . 1 1 135 135 GLY N N 15 0.581590765288 0.0247190574829 . . . . . . . 26711 9 65 . . 1 1 137 137 ASP N N 15 0.615812580317 0.0178918258521 . . . . . . . 26711 9 66 . . 1 1 139 139 ILE N N 15 0.60351877861 0.0223018491189 . . . . . . . 26711 9 67 . . 1 1 140 140 ALA N N 15 0.617050473641 0.0138438571274 . . . . . . . 26711 9 68 . . 1 1 141 141 LEU N N 15 0.623873732256 0.0300348741595 . . . . . . . 26711 9 69 . . 1 1 143 143 GLU N N 15 0.617534873149 0.0166804649799 . . . . . . . 26711 9 70 . . 1 1 144 144 ASP N N 15 0.718840830418 0.0102339356481 . . . . . . . 26711 9 71 . . 1 1 145 145 LEU N N 15 0.599312454888 0.0099269810025 . . . . . . . 26711 9 72 . . 1 1 146 146 SER N N 15 0.561024163135 0.0138207209225 . . . . . . . 26711 9 73 . . 1 1 147 147 SER N N 15 0.500319196563 0.0142835767114 . . . . . . . 26711 9 74 . . 1 1 149 149 THR N N 15 0.568135442066 0.00875157341642 . . . . . . . 26711 9 75 . . 1 1 150 150 ALA N N 15 0.676114793651 0.00971472273781 . . . . . . . 26711 9 76 . . 1 1 151 151 ALA N N 15 0.747298812304 0.00938597122273 . . . . . . . 26711 9 77 . . 1 1 152 152 ASP N N 15 0.668022033838 0.0102166189274 . . . . . . . 26711 9 78 . . 1 1 153 153 THR N N 15 0.79372404681 0.0382032224083 . . . . . . . 26711 9 79 . . 1 1 154 154 ALA N N 15 0.695166912912 0.014492469023 . . . . . . . 26711 9 80 . . 1 1 155 155 ALA N N 15 0.587495365299 0.0208881695229 . . . . . . . 26711 9 81 . . 1 1 156 156 GLN N N 15 0.612515085114 0.0113687123188 . . . . . . . 26711 9 82 . . 1 1 157 157 ILE N N 15 0.564305093224 0.0127853568431 . . . . . . . 26711 9 83 . . 1 1 158 158 THR N N 15 0.575755896724 0.0256169873751 . . . . . . . 26711 9 84 . . 1 1 160 160 ARG N N 15 0.590422361824 0.0107069560787 . . . . . . . 26711 9 85 . . 1 1 161 161 LYS N N 15 0.585856070429 0.0226251690827 . . . . . . . 26711 9 86 . . 1 1 162 162 TRP N N 15 0.586159464055 0.0188884555201 . . . . . . . 26711 9 87 . . 1 1 163 163 GLU N N 15 0.625944741649 0.0148939435776 . . . . . . . 26711 9 88 . . 1 1 165 165 ALA N N 15 0.567220052937 0.00977843595954 . . . . . . . 26711 9 89 . . 1 1 166 166 ARG N N 15 0.687630155877 0.0101698599285 . . . . . . . 26711 9 90 . . 1 1 167 167 VAL N N 15 0.667804063526 0.0165205611558 . . . . . . . 26711 9 91 . . 1 1 168 168 ALA N N 15 0.671125678055 0.0130194618311 . . . . . . . 26711 9 92 . . 1 1 172 172 ARG N N 15 0.586140511011 0.0123613016676 . . . . . . . 26711 9 93 . . 1 1 173 173 ALA N N 15 0.600985704694 0.0182325334804 . . . . . . . 26711 9 94 . . 1 1 175 175 LEU N N 15 0.590078826469 0.0263544343197 . . . . . . . 26711 9 95 . . 1 1 176 176 GLU N N 15 0.573563302872 0.0161508145393 . . . . . . . 26711 9 96 . . 1 1 177 177 GLY N N 15 0.603605662041 0.0138986378544 . . . . . . . 26711 9 97 . . 1 1 178 178 GLU N N 15 0.59504482774 0.0204025821199 . . . . . . . 26711 9 98 . . 1 1 179 179 CYS N N 15 0.621049990341 0.0287634820529 . . . . . . . 26711 9 99 . . 1 1 180 180 VAL N N 15 0.527928548703 0.0154063774155 . . . . . . . 26711 9 100 . . 1 1 184 184 ARG N N 15 0.530249736179 0.0189394157297 . . . . . . . 26711 9 101 . . 1 1 185 185 ARG N N 15 0.581793101812 0.0164523891926 . . . . . . . 26711 9 102 . . 1 1 187 187 LEU N N 15 0.566405802627 0.0184856526936 . . . . . . . 26711 9 103 . . 1 1 190 190 GLY N N 15 0.591409786433 0.0185859291791 . . . . . . . 26711 9 104 . . 1 1 191 191 LYS N N 15 0.62545466947 0.0120814693514 . . . . . . . 26711 9 105 . . 1 1 192 192 GLU N N 15 0.734336795642 0.01693717789 . . . . . . . 26711 9 106 . . 1 1 193 193 THR N N 15 0.648832088778 0.0279647188572 . . . . . . . 26711 9 107 . . 1 1 194 194 LEU N N 15 0.646916972459 0.0285742449699 . . . . . . . 26711 9 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 26711 _Auto_relaxation_list.ID 10 _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 . 26711 10 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 22.4636869449 0.321212835307 . . . . . . . 26711 10 2 . . 1 1 19 19 SER N N 15 31.3537335708 1.47898688131 . . . . . . . 26711 10 3 . . 1 1 28 28 SER N N 15 30.242480858 0.641677020583 . . . . . . . 26711 10 4 . . 1 1 31 31 GLY N N 15 12.2149996779 0.76147605509 . . . . . . . 26711 10 5 . . 1 1 33 33 GLY N N 15 -1222.11954088 582.728897367 . . . . . . . 26711 10 6 . . 1 1 34 34 GLU N N 15 24.0499540978 0.521639009869 . . . . . . . 26711 10 7 . . 1 1 36 36 ARG N N 15 29.4971705215 0.537463437042 . . . . . . . 26711 10 8 . . 1 1 37 37 PHE N N 15 27.1360793279 0.596073480755 . . . . . . . 26711 10 9 . . 1 1 38 38 ILE N N 15 28.5321847796 0.523607214353 . . . . . . . 26711 10 10 . . 1 1 40 40 VAL N N 15 25.1746228436 0.930437292379 . . . . . . . 26711 10 11 . . 1 1 41 41 GLY N N 15 30.1500521349 1.69102919142 . . . . . . . 26711 10 12 . . 1 1 44 44 ASP N N 15 30.6439627993 0.958539766926 . . . . . . . 26711 10 13 . . 1 1 45 45 ASP N N 15 32.1395869666 1.9622284273 . . . . . . . 26711 10 14 . . 1 1 46 46 THR N N 15 30.6269597829 1.5851078242 . . . . . . . 26711 10 15 . . 1 1 47 47 LEU N N 15 31.1248764234 1.30399045571 . . . . . . . 26711 10 16 . . 1 1 49 49 VAL N N 15 39.2693341928 3.53377530785 . . . . . . . 26711 10 17 . . 1 1 50 50 ARG N N 15 24.5042543902 0.799388452731 . . . . . . . 26711 10 18 . . 1 1 51 51 PHE N N 15 33.3956601204 0.988491851017 . . . . . . . 26711 10 19 . . 1 1 52 52 ASP N N 15 25.5737670273 0.397910294615 . . . . . . . 26711 10 20 . . 1 1 53 53 SER N N 15 28.84859263 0.677860890384 . . . . . . . 26711 10 21 . . 1 1 54 54 ASP N N 15 31.3478671332 0.574501909544 . . . . . . . 26711 10 22 . . 1 1 55 55 ALA N N 15 22.5600499289 0.272481191279 . . . . . . . 26711 10 23 . . 1 1 57 57 SER N N 15 21.3326692472 0.688314624789 . . . . . . . 26711 10 24 . . 1 1 63 63 ARG N N 15 30.6059448397 1.20072667918 . . . . . . . 26711 10 25 . . 1 1 64 64 ALA N N 15 31.4921689235 1.8087541641 . . . . . . . 26711 10 26 . . 1 1 66 66 TRP N N 15 31.0710597613 1.33198713423 . . . . . . . 26711 10 27 . . 1 1 67 67 ILE N N 15 33.35045183 2.06367255285 . . . . . . . 26711 10 28 . . 1 1 68 68 GLU N N 15 36.4573207181 2.01448209399 . . . . . . . 26711 10 29 . . 1 1 70 70 GLU N N 15 33.510930109 0.822537450379 . . . . . . . 26711 10 30 . . 1 1 71 71 GLY N N 15 22.2623888858 0.339448087715 . . . . . . . 26711 10 31 . . 1 1 73 73 GLU N N 15 28.5259330045 0.745913340688 . . . . . . . 26711 10 32 . . 1 1 74 74 TYR N N 15 29.0554171022 0.721299678087 . . . . . . . 26711 10 33 . . 1 1 77 77 ARG N N 15 31.465313615 0.805021458931 . . . . . . . 26711 10 34 . . 1 1 82 82 CYS N N 15 31.6188893382 1.80685462097 . . . . . . . 26711 10 35 . . 1 1 83 83 LYS N N 15 31.9862154793 1.11351686221 . . . . . . . 26711 10 36 . . 1 1 87 87 GLN N N 15 29.7409083483 1.00910601726 . . . . . . . 26711 10 37 . . 1 1 90 90 ARG N N 15 30.8211628916 1.04428964995 . . . . . . . 26711 10 38 . . 1 1 92 92 ASP N N 15 35.3732982389 1.69056131561 . . . . . . . 26711 10 39 . . 1 1 93 93 LEU N N 15 30.6828757017 0.869312007473 . . . . . . . 26711 10 40 . . 1 1 94 94 ARG N N 15 28.8559653771 1.37254901277 . . . . . . . 26711 10 41 . . 1 1 95 95 THR N N 15 8.44648553197 0.0691968520961 . . . . . . . 26711 10 42 . . 1 1 96 96 LEU N N 15 29.8605298548 1.75001109629 . . . . . . . 26711 10 43 . . 1 1 100 100 TYR N N 15 26.9991800905 1.10745324784 . . . . . . . 26711 10 44 . . 1 1 102 102 GLN N N 15 29.0454563716 1.02960475122 . . . . . . . 26711 10 45 . . 1 1 106 106 GLY N N 15 18.3867571962 1.07084342982 . . . . . . . 26711 10 46 . . 1 1 107 107 SER N N 15 23.3472965377 0.644373575995 . . . . . . . 26711 10 47 . . 1 1 108 108 HIS N N 15 26.9876515719 0.721979266724 . . . . . . . 26711 10 48 . . 1 1 109 109 THR N N 15 26.4339794752 0.532093098542 . . . . . . . 26711 10 49 . . 1 1 110 110 LEU N N 15 33.1990442679 1.32509467356 . . . . . . . 26711 10 50 . . 1 1 112 112 ASN N N 15 29.200856229 1.17102109762 . . . . . . . 26711 10 51 . . 1 1 115 115 GLY N N 15 30.8568913747 2.08424384858 . . . . . . . 26711 10 52 . . 1 1 116 116 CYS N N 15 30.7042458623 1.66111354781 . . . . . . . 26711 10 53 . . 1 1 118 118 VAL N N 15 31.8626990722 1.0436407753 . . . . . . . 26711 10 54 . . 1 1 119 119 GLY N N 15 30.885489482 0.894914003073 . . . . . . . 26711 10 55 . . 1 1 121 121 ASP N N 15 24.6608719449 0.515778494013 . . . . . . . 26711 10 56 . . 1 1 122 122 GLY N N 15 28.8944838576 0.958812512126 . . . . . . . 26711 10 57 . . 1 1 125 125 LEU N N 15 29.3627512417 1.8269344296 . . . . . . . 26711 10 58 . . 1 1 126 126 ARG N N 15 25.7604218761 1.63508916179 . . . . . . . 26711 10 59 . . 1 1 127 127 GLY N N 15 27.0297693111 1.24964380158 . . . . . . . 26711 10 60 . . 1 1 129 129 HIS N N 15 30.8458696712 1.28578382894 . . . . . . . 26711 10 61 . . 1 1 130 130 GLN N N 15 33.2735817906 1.42936013091 . . . . . . . 26711 10 62 . . 1 1 132 132 ALA N N 15 33.3773618621 1.50767459761 . . . . . . . 26711 10 63 . . 1 1 134 134 ASP N N 15 28.9762269091 1.19541950071 . . . . . . . 26711 10 64 . . 1 1 135 135 GLY N N 15 28.3973380256 2.28046964449 . . . . . . . 26711 10 65 . . 1 1 137 137 ASP N N 15 27.8841022261 1.20772791626 . . . . . . . 26711 10 66 . . 1 1 139 139 ILE N N 15 30.2300353757 1.64073052389 . . . . . . . 26711 10 67 . . 1 1 140 140 ALA N N 15 32.518060162 1.07945118605 . . . . . . . 26711 10 68 . . 1 1 141 141 LEU N N 15 27.5470540285 1.46405311772 . . . . . . . 26711 10 69 . . 1 1 143 143 GLU N N 15 29.7786587537 0.799799663659 . . . . . . . 26711 10 70 . . 1 1 144 144 ASP N N 15 27.7146483994 0.564585884863 . . . . . . . 26711 10 71 . . 1 1 145 145 LEU N N 15 31.3058381434 0.823288668976 . . . . . . . 26711 10 72 . . 1 1 146 146 SER N N 15 28.9778803487 1.145734328 . . . . . . . 26711 10 73 . . 1 1 147 147 SER N N 15 26.8108096964 1.01302605734 . . . . . . . 26711 10 74 . . 1 1 149 149 THR N N 15 26.8933167191 0.542857624878 . . . . . . . 26711 10 75 . . 1 1 150 150 ALA N N 15 26.9339450188 0.43465214767 . . . . . . . 26711 10 76 . . 1 1 151 151 ALA N N 15 26.6679756942 0.504557287678 . . . . . . . 26711 10 77 . . 1 1 152 152 ASP N N 15 28.548554217 0.716273673721 . . . . . . . 26711 10 78 . . 1 1 153 153 THR N N 15 31.2190407099 2.57380007055 . . . . . . . 26711 10 79 . . 1 1 154 154 ALA N N 15 32.9507154211 1.0952327612 . . . . . . . 26711 10 80 . . 1 1 155 155 ALA N N 15 29.6017058454 1.60692546596 . . . . . . . 26711 10 81 . . 1 1 156 156 GLN N N 15 29.6706713967 0.890120141902 . . . . . . . 26711 10 82 . . 1 1 157 157 ILE N N 15 30.3608820138 1.18962450241 . . . . . . . 26711 10 83 . . 1 1 158 158 THR N N 15 32.141445502 2.01313479155 . . . . . . . 26711 10 84 . . 1 1 160 160 ARG N N 15 31.0036631116 0.961965952368 . . . . . . . 26711 10 85 . . 1 1 161 161 LYS N N 15 37.3384481859 2.32333907713 . . . . . . . 26711 10 86 . . 1 1 162 162 TRP N N 15 32.4185764102 2.05921548356 . . . . . . . 26711 10 87 . . 1 1 163 163 GLU N N 15 30.5304010481 1.47875465011 . . . . . . . 26711 10 88 . . 1 1 165 165 ALA N N 15 30.1679805928 0.907027153468 . . . . . . . 26711 10 89 . . 1 1 166 166 ARG N N 15 26.9009662886 0.75730899155 . . . . . . . 26711 10 90 . . 1 1 167 167 VAL N N 15 32.163560634 1.13441861184 . . . . . . . 26711 10 91 . . 1 1 168 168 ALA N N 15 29.6455514231 0.921474401889 . . . . . . . 26711 10 92 . . 1 1 172 172 ARG N N 15 32.2476114989 1.08358385709 . . . . . . . 26711 10 93 . . 1 1 173 173 ALA N N 15 33.7125627915 1.85666656489 . . . . . . . 26711 10 94 . . 1 1 175 175 LEU N N 15 26.2324946638 2.86636423192 . . . . . . . 26711 10 95 . . 1 1 176 176 GLU N N 15 27.9446544848 1.55448211469 . . . . . . . 26711 10 96 . . 1 1 177 177 GLY N N 15 27.435234412 1.11074056689 . . . . . . . 26711 10 97 . . 1 1 178 178 GLU N N 15 29.9145666917 1.24075908468 . . . . . . . 26711 10 98 . . 1 1 179 179 CYS N N 15 36.2575141909 3.07877831012 . . . . . . . 26711 10 99 . . 1 1 180 180 VAL N N 15 32.8458522721 1.60543574488 . . . . . . . 26711 10 100 . . 1 1 184 184 ARG N N 15 33.0092082652 1.90076183011 . . . . . . . 26711 10 101 . . 1 1 185 185 ARG N N 15 35.7488220638 2.0036621656 . . . . . . . 26711 10 102 . . 1 1 187 187 LEU N N 15 29.7712846025 1.68574054154 . . . . . . . 26711 10 103 . . 1 1 190 190 GLY N N 15 28.9373265674 1.48311983214 . . . . . . . 26711 10 104 . . 1 1 191 191 LYS N N 15 32.2576650752 0.960239418736 . . . . . . . 26711 10 105 . . 1 1 192 192 GLU N N 15 29.5694940928 0.780168085809 . . . . . . . 26711 10 106 . . 1 1 193 193 THR N N 15 34.6378042962 2.38212411656 . . . . . . . 26711 10 107 . . 1 1 194 194 LEU N N 15 29.0827143415 1.79382309317 . . . . . . . 26711 10 stop_ save_ save_750.46_MHz_R1_relaxation_top_3 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 750.46_MHz_R1_relaxation_top_3 _Auto_relaxation_list.Entry_ID 26711 _Auto_relaxation_list.ID 11 _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 . 26711 11 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 0.631642305092 0.00658970339403 . . . . . . . 26711 11 2 . . 1 1 19 19 SER N N 15 0.410535971583 0.0144888729555 . . . . . . . 26711 11 3 . . 1 1 28 28 SER N N 15 0.483166499893 0.00666018961526 . . . . . . . 26711 11 4 . . 1 1 31 31 GLY N N 15 0.603512552635 0.024973928439 . . . . . . . 26711 11 5 . . 1 1 33 33 GLY N N 15 137.628901807 68.1312607413 . . . . . . . 26711 11 6 . . 1 1 34 34 GLU N N 15 0.617923371466 0.0103536299843 . . . . . . . 26711 11 7 . . 1 1 36 36 ARG N N 15 0.508629720293 0.00629584596215 . . . . . . . 26711 11 8 . . 1 1 37 37 PHE N N 15 0.497104733196 0.008618136872 . . . . . . . 26711 11 9 . . 1 1 38 38 ILE N N 15 0.465237955942 0.00623294998606 . . . . . . . 26711 11 10 . . 1 1 40 40 VAL N N 15 0.53450544586 0.0128287839325 . . . . . . . 26711 11 11 . . 1 1 41 41 GLY N N 15 0.443275604872 0.0167749728864 . . . . . . . 26711 11 12 . . 1 1 44 44 ASP N N 15 0.434016540796 0.0110760272827 . . . . . . . 26711 11 13 . . 1 1 45 45 ASP N N 15 0.446365571305 0.0240563371808 . . . . . . . 26711 11 14 . . 1 1 46 46 THR N N 15 0.474124077456 0.0205638442183 . . . . . . . 26711 11 15 . . 1 1 47 47 LEU N N 15 0.390602501456 0.0168998528379 . . . . . . . 26711 11 16 . . 1 1 49 49 VAL N N 15 0.445835554796 0.0232848553179 . . . . . . . 26711 11 17 . . 1 1 50 50 ARG N N 15 0.504534805248 0.0117731516676 . . . . . . . 26711 11 18 . . 1 1 51 51 PHE N N 15 0.473643897257 0.00947287794515 . . . . . . . 26711 11 19 . . 1 1 52 52 ASP N N 15 0.474539603932 0.00625746840851 . . . . . . . 26711 11 20 . . 1 1 53 53 SER N N 15 0.459447266515 0.00747993018224 . . . . . . . 26711 11 21 . . 1 1 54 54 ASP N N 15 0.474890334261 0.00608392644294 . . . . . . . 26711 11 22 . . 1 1 55 55 ALA N N 15 0.558233693326 0.00486655797193 . . . . . . . 26711 11 23 . . 1 1 57 57 SER N N 15 0.502601339815 0.0164677293709 . . . . . . . 26711 11 24 . . 1 1 63 63 ARG N N 15 0.423142295076 0.015435292726 . . . . . . . 26711 11 25 . . 1 1 64 64 ALA N N 15 0.418741015768 0.011415964253 . . . . . . . 26711 11 26 . . 1 1 66 66 TRP N N 15 0.48940201035 0.0121632063834 . . . . . . . 26711 11 27 . . 1 1 67 67 ILE N N 15 0.466667923472 0.0176242457604 . . . . . . . 26711 11 28 . . 1 1 68 68 GLU N N 15 0.429277458537 0.0123054232661 . . . . . . . 26711 11 29 . . 1 1 70 70 GLU N N 15 0.444788693268 0.00747824888595 . . . . . . . 26711 11 30 . . 1 1 71 71 GLY N N 15 0.545209209658 0.00778217208963 . . . . . . . 26711 11 31 . . 1 1 73 73 GLU N N 15 0.478731071698 0.0113156827099 . . . . . . . 26711 11 32 . . 1 1 74 74 TYR N N 15 0.502512224408 0.00874132248744 . . . . . . . 26711 11 33 . . 1 1 77 77 ARG N N 15 0.488981164809 0.00804853904905 . . . . . . . 26711 11 34 . . 1 1 82 82 CYS N N 15 0.468097836351 0.019017462338 . . . . . . . 26711 11 35 . . 1 1 83 83 LYS N N 15 0.455953770557 0.0102983647683 . . . . . . . 26711 11 36 . . 1 1 87 87 GLN N N 15 0.476530782246 0.0108117419493 . . . . . . . 26711 11 37 . . 1 1 90 90 ARG N N 15 0.482836643454 0.00896369597461 . . . . . . . 26711 11 38 . . 1 1 92 92 ASP N N 15 0.490617585365 0.0135413960673 . . . . . . . 26711 11 39 . . 1 1 93 93 LEU N N 15 0.467504558769 0.00786566300894 . . . . . . . 26711 11 40 . . 1 1 94 94 ARG N N 15 0.471618043216 0.0147243820957 . . . . . . . 26711 11 41 . . 1 1 95 95 THR N N 15 1.17136628654 0.00650684466123 . . . . . . . 26711 11 42 . . 1 1 96 96 LEU N N 15 0.566247925944 0.0226883510181 . . . . . . . 26711 11 43 . . 1 1 100 100 TYR N N 15 0.456632116165 0.00955280931352 . . . . . . . 26711 11 44 . . 1 1 102 102 GLN N N 15 0.478729448274 0.0122184329361 . . . . . . . 26711 11 45 . . 1 1 106 106 GLY N N 15 0.579125610644 0.0241492312374 . . . . . . . 26711 11 46 . . 1 1 107 107 SER N N 15 0.447510455818 0.0103580034177 . . . . . . . 26711 11 47 . . 1 1 108 108 HIS N N 15 0.44648930344 0.00520886651036 . . . . . . . 26711 11 48 . . 1 1 109 109 THR N N 15 0.452060608068 0.0061303413765 . . . . . . . 26711 11 49 . . 1 1 110 110 LEU N N 15 0.486417832029 0.0138624802551 . . . . . . . 26711 11 50 . . 1 1 112 112 ASN N N 15 0.452655455186 0.0138647990635 . . . . . . . 26711 11 51 . . 1 1 115 115 GLY N N 15 0.49730307987 0.0199478744404 . . . . . . . 26711 11 52 . . 1 1 116 116 CYS N N 15 0.45766349768 0.0184190634675 . . . . . . . 26711 11 53 . . 1 1 118 118 VAL N N 15 0.423245118577 0.00895874219789 . . . . . . . 26711 11 54 . . 1 1 119 119 GLY N N 15 0.433275200799 0.00830673083475 . . . . . . . 26711 11 55 . . 1 1 121 121 ASP N N 15 0.564381444968 0.00807602689918 . . . . . . . 26711 11 56 . . 1 1 122 122 GLY N N 15 0.490061441923 0.00900669294011 . . . . . . . 26711 11 57 . . 1 1 125 125 LEU N N 15 0.495707026094 0.0201405997784 . . . . . . . 26711 11 58 . . 1 1 126 126 ARG N N 15 0.471898704067 0.0197386113173 . . . . . . . 26711 11 59 . . 1 1 127 127 GLY N N 15 0.496138445202 0.0173541460629 . . . . . . . 26711 11 60 . . 1 1 129 129 HIS N N 15 0.45506787963 0.0191855061841 . . . . . . . 26711 11 61 . . 1 1 130 130 GLN N N 15 0.466309303683 0.0176097630354 . . . . . . . 26711 11 62 . . 1 1 132 132 ALA N N 15 0.45534665566 0.017153233245 . . . . . . . 26711 11 63 . . 1 1 134 134 ASP N N 15 0.454782943487 0.0146950032235 . . . . . . . 26711 11 64 . . 1 1 135 135 GLY N N 15 0.424899345251 0.0245105962609 . . . . . . . 26711 11 65 . . 1 1 137 137 ASP N N 15 0.48140976723 0.0138696111182 . . . . . . . 26711 11 66 . . 1 1 139 139 ILE N N 15 0.485295890224 0.0165841372144 . . . . . . . 26711 11 67 . . 1 1 140 140 ALA N N 15 0.447394151859 0.0121594969389 . . . . . . . 26711 11 68 . . 1 1 141 141 LEU N N 15 0.420466560612 0.0314596900168 . . . . . . . 26711 11 69 . . 1 1 143 143 GLU N N 15 0.475617739797 0.0102091688456 . . . . . . . 26711 11 70 . . 1 1 144 144 ASP N N 15 0.53050196941 0.00609403027025 . . . . . . . 26711 11 71 . . 1 1 145 145 LEU N N 15 0.455561412208 0.00760310928287 . . . . . . . 26711 11 72 . . 1 1 146 146 SER N N 15 0.429630730226 0.0102423002289 . . . . . . . 26711 11 73 . . 1 1 147 147 SER N N 15 0.398632059129 0.0116271742819 . . . . . . . 26711 11 74 . . 1 1 149 149 THR N N 15 0.421801733961 0.0070359179587 . . . . . . . 26711 11 75 . . 1 1 150 150 ALA N N 15 0.50200610377 0.00666422132509 . . . . . . . 26711 11 76 . . 1 1 151 151 ALA N N 15 0.56354456818 0.00736447985277 . . . . . . . 26711 11 77 . . 1 1 152 152 ASP N N 15 0.520593211173 0.00787496680287 . . . . . . . 26711 11 78 . . 1 1 153 153 THR N N 15 0.510589488137 0.0325768919283 . . . . . . . 26711 11 79 . . 1 1 154 154 ALA N N 15 0.523383666576 0.0108677339413 . . . . . . . 26711 11 80 . . 1 1 155 155 ALA N N 15 0.452240289042 0.0161925398025 . . . . . . . 26711 11 81 . . 1 1 156 156 GLN N N 15 0.468436681387 0.0074226330767 . . . . . . . 26711 11 82 . . 1 1 157 157 ILE N N 15 0.443384514724 0.00999320499735 . . . . . . . 26711 11 83 . . 1 1 158 158 THR N N 15 0.413946858507 0.0192720105385 . . . . . . . 26711 11 84 . . 1 1 160 160 ARG N N 15 0.452968438595 0.0072629469066 . . . . . . . 26711 11 85 . . 1 1 161 161 LYS N N 15 0.45310126698 0.0162263325793 . . . . . . . 26711 11 86 . . 1 1 162 162 TRP N N 15 0.431865519553 0.0145184928012 . . . . . . . 26711 11 87 . . 1 1 163 163 GLU N N 15 0.48279145221 0.0117829658919 . . . . . . . 26711 11 88 . . 1 1 165 165 ALA N N 15 0.433865422552 0.00706495726645 . . . . . . . 26711 11 89 . . 1 1 166 166 ARG N N 15 0.509332212264 0.00675180805022 . . . . . . . 26711 11 90 . . 1 1 167 167 VAL N N 15 0.487046576929 0.0126810659293 . . . . . . . 26711 11 91 . . 1 1 168 168 ALA N N 15 0.496563298963 0.00546422597033 . . . . . . . 26711 11 92 . . 1 1 172 172 ARG N N 15 0.451653400415 0.00942746957662 . . . . . . . 26711 11 93 . . 1 1 173 173 ALA N N 15 0.465102792049 0.0127869566582 . . . . . . . 26711 11 94 . . 1 1 175 175 LEU N N 15 0.434497382664 0.0254510607847 . . . . . . . 26711 11 95 . . 1 1 176 176 GLU N N 15 0.412538296604 0.0128212114714 . . . . . . . 26711 11 96 . . 1 1 177 177 GLY N N 15 0.439060506596 0.010348575714 . . . . . . . 26711 11 97 . . 1 1 178 178 GLU N N 15 0.425881919371 0.0174435886543 . . . . . . . 26711 11 98 . . 1 1 179 179 CYS N N 15 0.444245042633 0.0299969403144 . . . . . . . 26711 11 99 . . 1 1 180 180 VAL N N 15 0.408443121588 0.0128354270873 . . . . . . . 26711 11 100 . . 1 1 184 184 ARG N N 15 0.4370754044 0.0158458345221 . . . . . . . 26711 11 101 . . 1 1 185 185 ARG N N 15 0.429705103944 0.0116945748222 . . . . . . . 26711 11 102 . . 1 1 187 187 LEU N N 15 0.432116209509 0.0150243153342 . . . . . . . 26711 11 103 . . 1 1 190 190 GLY N N 15 0.428237535566 0.0138921774482 . . . . . . . 26711 11 104 . . 1 1 191 191 LYS N N 15 0.487179883238 0.00936797936188 . . . . . . . 26711 11 105 . . 1 1 192 192 GLU N N 15 0.570468759347 0.0105025285378 . . . . . . . 26711 11 106 . . 1 1 193 193 THR N N 15 0.490820708127 0.0188859457447 . . . . . . . 26711 11 107 . . 1 1 194 194 LEU N N 15 0.52760128623 0.0204755700507 . . . . . . . 26711 11 stop_ save_ save_750.46_MHz_R2_relaxation_top_4 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 750.46_MHz_R2_relaxation_top_4 _Auto_relaxation_list.Entry_ID 26711 _Auto_relaxation_list.ID 12 _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 . 26711 12 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 26.1239506262 0.343033905912 . . . . . . . 26711 12 2 . . 1 1 19 19 SER N N 15 35.0079938929 1.73338247039 . . . . . . . 26711 12 3 . . 1 1 28 28 SER N N 15 34.8794703848 0.749459785544 . . . . . . . 26711 12 4 . . 1 1 31 31 GLY N N 15 14.4534348278 0.694399704586 . . . . . . . 26711 12 5 . . 1 1 33 33 GLY N N 15 1446.35070025 405.493727893 . . . . . . . 26711 12 6 . . 1 1 34 34 GLU N N 15 26.929679929 0.518979399624 . . . . . . . 26711 12 7 . . 1 1 36 36 ARG N N 15 31.3829770335 0.580220014823 . . . . . . . 26711 12 8 . . 1 1 37 37 PHE N N 15 31.2331979489 0.678925015607 . . . . . . . 26711 12 9 . . 1 1 38 38 ILE N N 15 31.9272523224 0.616613402424 . . . . . . . 26711 12 10 . . 1 1 40 40 VAL N N 15 26.5456951688 0.796136811879 . . . . . . . 26711 12 11 . . 1 1 41 41 GLY N N 15 31.1454248517 1.89921588359 . . . . . . . 26711 12 12 . . 1 1 44 44 ASP N N 15 35.0139938946 1.30666059071 . . . . . . . 26711 12 13 . . 1 1 45 45 ASP N N 15 38.4784727161 2.40641762301 . . . . . . . 26711 12 14 . . 1 1 46 46 THR N N 15 39.831078075 2.5575274779 . . . . . . . 26711 12 15 . . 1 1 47 47 LEU N N 15 35.5011339794 2.40166370577 . . . . . . . 26711 12 16 . . 1 1 49 49 VAL N N 15 43.7453039988 4.20705244187 . . . . . . . 26711 12 17 . . 1 1 50 50 ARG N N 15 28.8737643255 0.984624724351 . . . . . . . 26711 12 18 . . 1 1 51 51 PHE N N 15 39.0312717644 1.30954667825 . . . . . . . 26711 12 19 . . 1 1 52 52 ASP N N 15 31.9323681864 0.56342302692 . . . . . . . 26711 12 20 . . 1 1 53 53 SER N N 15 33.0578260854 0.741001975595 . . . . . . . 26711 12 21 . . 1 1 54 54 ASP N N 15 35.9117841429 0.723158477515 . . . . . . . 26711 12 22 . . 1 1 55 55 ALA N N 15 25.5005457815 0.309308533246 . . . . . . . 26711 12 23 . . 1 1 57 57 SER N N 15 24.1873245755 0.753707150433 . . . . . . . 26711 12 24 . . 1 1 63 63 ARG N N 15 32.2913209558 1.87830664359 . . . . . . . 26711 12 25 . . 1 1 64 64 ALA N N 15 37.7106446406 2.15200146097 . . . . . . . 26711 12 26 . . 1 1 66 66 TRP N N 15 35.2831373913 1.38559741964 . . . . . . . 26711 12 27 . . 1 1 67 67 ILE N N 15 41.559111539 2.51785794686 . . . . . . . 26711 12 28 . . 1 1 68 68 GLU N N 15 38.2716035713 1.62110300684 . . . . . . . 26711 12 29 . . 1 1 70 70 GLU N N 15 35.9370470661 0.783531050815 . . . . . . . 26711 12 30 . . 1 1 71 71 GLY N N 15 24.9690638073 0.417750290196 . . . . . . . 26711 12 31 . . 1 1 73 73 GLU N N 15 32.1029354371 0.859153367275 . . . . . . . 26711 12 32 . . 1 1 74 74 TYR N N 15 31.4162802763 0.724845717625 . . . . . . . 26711 12 33 . . 1 1 77 77 ARG N N 15 34.6677511016 0.865861250667 . . . . . . . 26711 12 34 . . 1 1 82 82 CYS N N 15 34.3668752149 2.44538835497 . . . . . . . 26711 12 35 . . 1 1 83 83 LYS N N 15 36.1765169695 1.42884705769 . . . . . . . 26711 12 36 . . 1 1 87 87 GLN N N 15 34.3865027058 1.10694970291 . . . . . . . 26711 12 37 . . 1 1 90 90 ARG N N 15 35.338395226 1.15050648155 . . . . . . . 26711 12 38 . . 1 1 92 92 ASP N N 15 39.0312717644 1.3480743354 . . . . . . . 26711 12 39 . . 1 1 93 93 LEU N N 15 36.2959446884 1.03858325447 . . . . . . . 26711 12 40 . . 1 1 94 94 ARG N N 15 35.5157497945 1.88209066907 . . . . . . . 26711 12 41 . . 1 1 95 95 THR N N 15 7.68184378873 0.0482896655882 . . . . . . . 26711 12 42 . . 1 1 96 96 LEU N N 15 29.7779021033 1.91268299806 . . . . . . . 26711 12 43 . . 1 1 100 100 TYR N N 15 34.4217095311 1.28506391299 . . . . . . . 26711 12 44 . . 1 1 102 102 GLN N N 15 33.2607660821 1.24615846271 . . . . . . . 26711 12 45 . . 1 1 106 106 GLY N N 15 20.9886309881 0.968539693852 . . . . . . . 26711 12 46 . . 1 1 107 107 SER N N 15 27.5429281537 0.646938436363 . . . . . . . 26711 12 47 . . 1 1 108 108 HIS N N 15 29.892464467 0.529330252577 . . . . . . . 26711 12 48 . . 1 1 109 109 THR N N 15 29.1209041672 0.499442088385 . . . . . . . 26711 12 49 . . 1 1 110 110 LEU N N 15 45.8783208161 2.4776919535 . . . . . . . 26711 12 50 . . 1 1 112 112 ASN N N 15 31.7924961274 1.4972449485 . . . . . . . 26711 12 51 . . 1 1 115 115 GLY N N 15 36.9685433358 2.45070163869 . . . . . . . 26711 12 52 . . 1 1 116 116 CYS N N 15 31.248853903 1.90263320279 . . . . . . . 26711 12 53 . . 1 1 118 118 VAL N N 15 36.7697525266 1.31363199117 . . . . . . . 26711 12 54 . . 1 1 119 119 GLY N N 15 33.521095636 1.12477184092 . . . . . . . 26711 12 55 . . 1 1 121 121 ASP N N 15 28.3224421827 0.502370093701 . . . . . . . 26711 12 56 . . 1 1 122 122 GLY N N 15 32.5256050036 1.06371484755 . . . . . . . 26711 12 57 . . 1 1 125 125 LEU N N 15 34.1014120661 2.3741336149 . . . . . . . 26711 12 58 . . 1 1 126 126 ARG N N 15 29.2280014716 2.05405279681 . . . . . . . 26711 12 59 . . 1 1 127 127 GLY N N 15 29.2604253706 1.58390799668 . . . . . . . 26711 12 60 . . 1 1 129 129 HIS N N 15 32.5362337456 2.03544235607 . . . . . . . 26711 12 61 . . 1 1 130 130 GLN N N 15 35.7556462868 1.92017670323 . . . . . . . 26711 12 62 . . 1 1 132 132 ALA N N 15 37.5844951589 2.23568714679 . . . . . . . 26711 12 63 . . 1 1 134 134 ASP N N 15 32.7562032404 1.59551205102 . . . . . . . 26711 12 64 . . 1 1 135 135 GLY N N 15 32.2200518721 2.04748041221 . . . . . . . 26711 12 65 . . 1 1 137 137 ASP N N 15 30.1388216606 1.31598282689 . . . . . . . 26711 12 66 . . 1 1 139 139 ILE N N 15 36.1720450858 1.74845866906 . . . . . . . 26711 12 67 . . 1 1 140 140 ALA N N 15 38.0555340061 1.62676067986 . . . . . . . 26711 12 68 . . 1 1 141 141 LEU N N 15 33.2649114666 2.5922418645 . . . . . . . 26711 12 69 . . 1 1 143 143 GLU N N 15 33.4331283787 0.886611776632 . . . . . . . 26711 12 70 . . 1 1 144 144 ASP N N 15 31.0315022184 0.519793652032 . . . . . . . 26711 12 71 . . 1 1 145 145 LEU N N 15 37.2076453539 0.977144751906 . . . . . . . 26711 12 72 . . 1 1 146 146 SER N N 15 35.1439647817 1.31515298431 . . . . . . . 26711 12 73 . . 1 1 147 147 SER N N 15 30.9730471922 1.12057680573 . . . . . . . 26711 12 74 . . 1 1 149 149 THR N N 15 31.0055386074 0.619480087055 . . . . . . . 26711 12 75 . . 1 1 150 150 ALA N N 15 31.3306950507 0.601982118571 . . . . . . . 26711 12 76 . . 1 1 151 151 ALA N N 15 27.7990375678 0.515679229648 . . . . . . . 26711 12 77 . . 1 1 152 152 ASP N N 15 31.0110342998 0.747702019933 . . . . . . . 26711 12 78 . . 1 1 153 153 THR N N 15 30.0647066106 2.16974447035 . . . . . . . 26711 12 79 . . 1 1 154 154 ALA N N 15 34.7372485269 1.29764655219 . . . . . . . 26711 12 80 . . 1 1 155 155 ALA N N 15 31.1298757273 1.83748074836 . . . . . . . 26711 12 81 . . 1 1 156 156 GLN N N 15 34.9740035921 0.8854248002 . . . . . . . 26711 12 82 . . 1 1 157 157 ILE N N 15 33.4546832857 1.09989975727 . . . . . . . 26711 12 83 . . 1 1 158 158 THR N N 15 44.2579044366 3.53117606296 . . . . . . . 26711 12 84 . . 1 1 160 160 ARG N N 15 35.9335733718 1.07800720115 . . . . . . . 26711 12 85 . . 1 1 161 161 LYS N N 15 34.3395384045 2.60453059114 . . . . . . . 26711 12 86 . . 1 1 162 162 TRP N N 15 39.6742496782 2.59794964378 . . . . . . . 26711 12 87 . . 1 1 163 163 GLU N N 15 35.4121615209 1.82067154596 . . . . . . . 26711 12 88 . . 1 1 165 165 ALA N N 15 33.4255941173 0.925512091066 . . . . . . . 26711 12 89 . . 1 1 166 166 ARG N N 15 30.8722410438 0.730832940335 . . . . . . . 26711 12 90 . . 1 1 167 167 VAL N N 15 34.0573291362 1.37244440038 . . . . . . . 26711 12 91 . . 1 1 168 168 ALA N N 15 32.1297356378 0.520474848814 . . . . . . . 26711 12 92 . . 1 1 172 172 ARG N N 15 37.4888415047 1.57374581816 . . . . . . . 26711 12 93 . . 1 1 173 173 ALA N N 15 36.5577188478 2.13649071409 . . . . . . . 26711 12 94 . . 1 1 175 175 LEU N N 15 45.4379579679 6.22727404472 . . . . . . . 26711 12 95 . . 1 1 176 176 GLU N N 15 31.2692297741 1.81507183056 . . . . . . . 26711 12 96 . . 1 1 177 177 GLY N N 15 31.4092268267 1.31062946595 . . . . . . . 26711 12 97 . . 1 1 178 178 GLU N N 15 34.421144593 1.91256831108 . . . . . . . 26711 12 98 . . 1 1 179 179 CYS N N 15 41.8075181294 5.24870633748 . . . . . . . 26711 12 99 . . 1 1 180 180 VAL N N 15 34.7252496852 1.96755124426 . . . . . . . 26711 12 100 . . 1 1 184 184 ARG N N 15 32.3097737571 2.079255732 . . . . . . . 26711 12 101 . . 1 1 185 185 ARG N N 15 38.7195145192 1.85737094996 . . . . . . . 26711 12 102 . . 1 1 187 187 LEU N N 15 36.0782328212 2.07231144948 . . . . . . . 26711 12 103 . . 1 1 190 190 GLY N N 15 33.7421492524 1.81326171822 . . . . . . . 26711 12 104 . . 1 1 191 191 LYS N N 15 34.7253875937 1.0078570739 . . . . . . . 26711 12 105 . . 1 1 192 192 GLU N N 15 33.5444881958 0.878231802593 . . . . . . . 26711 12 106 . . 1 1 193 193 THR N N 15 39.6628685219 2.6307201808 . . . . . . . 26711 12 107 . . 1 1 194 194 LEU N N 15 35.3562793806 1.99287289147 . . . . . . . 26711 12 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_b2m _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_b2m _Order_parameter_list.Entry_ID 26711 _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 7 '600.18 MHz R1' 1 $sample_1 . 26711 1 8 '600.18 MHz R2' . . . 26711 1 9 '600.18 MHz steady-state NOE' . . . 26711 1 10 '750.46 MHz R1' . . . 26711 1 11 '750.46 MHz R2' . . . 26711 1 12 '750.46 MHz steady-state NOE' . . . 26711 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 . . 26711 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 0.505265468359 0.0181581759032 . . . . 9.45828426032e-10 6.03491976389e-11 . . . 'S2f, S2, ts' 0.7632132497 0.022494113085 0.662023973715 0.0200603420719 . . . . . . . . . 26711 1 2 . 2 2 8 8 ILE N N 15 0.679227765896 0.0369602319114 1.14234611241e-11 4.20461838543e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 3 . 2 2 9 9 GLN N N 15 0.901118403815 0.0516986103572 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 4 . 2 2 12 12 SER N N 15 0.882440552925 0.0426781596118 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 5 . 2 2 13 13 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 6 . 2 2 14 14 HIS N N 15 0.852363197755 0.0320872824627 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 7 . 2 2 17 17 GLU N N 15 0.879717879655 0.0507560379868 2.71279204607e-11 1.21998464219e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 8 . 2 2 19 19 GLY N N 15 0.892428192079 0.0607754518013 2.2309653258e-11 2.48605696472e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 9 . 2 2 20 20 LYS N N 15 0.934969762743 0.0195781548057 3.80847882532e-11 4.83962878852e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 10 . 2 2 23 23 PHE N N 15 0.82683091313 0.0507405254231 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 11 . 2 2 25 25 ASN N N 15 0.751778813147 0.0734058417929 1.30169148252e-11 9.22995178597e-12 . . . . 1.58359930809e-37 9.797141546e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 12 . 2 2 26 26 CYS N N 15 0.831695596577 0.0497522639828 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 13 . 2 2 27 27 TYR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 14 . 2 2 29 29 SER N N 15 0.801619786008 0.072725358672 1.13729328497e-11 3.70336911716e-11 . . . . 2.24916173856e-37 9.36596679825e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 15 . 2 2 30 30 GLY N N 15 0.675574917264 0.0734082598182 9.21886094916e-12 4.6680090857e-12 . . . . 1.76519016579e-37 8.02889363222e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 16 . 2 2 31 31 PHE N N 15 0.884508920155 0.0364130422661 1.79484522499e-11 5.86698523029e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 17 . 2 2 34 34 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 18 . 2 2 35 35 ASP N N 15 0.890739627896 0.018301929762 2.7246709489e-11 7.74697511841e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 19 . 2 2 37 37 GLU N N 15 0.855515301429 0.0585684909315 1.49526039384e-11 7.45352133733e-11 . . . . 1.3264140607e-37 7.18229874102e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 20 . 2 2 38 38 VAL N N 15 0.845224443765 0.028794725265 9.36503819394e-12 6.70671420517e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 21 . 2 2 40 40 LEU N N 15 0.77840330116 0.0357409873502 8.49731245396e-12 5.54110787604e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 22 . 2 2 41 41 LEU N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 23 . 2 2 43 43 ASN N N 15 0.829574571792 0.0430803016145 1.13388913468e-11 5.88996025181e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 24 . 2 2 44 44 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 25 . 2 2 45 45 GLU N N 15 0.869490945203 0.0284142117411 2.08981176248e-11 7.87324913843e-12 . . . . 1.05242010632e-37 3.44677197039e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 26 . 2 2 46 46 ARG N N 15 0.918418565738 0.0464916236815 2.55237856967e-11 7.46081354887e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 27 . 2 2 47 47 ILE N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 28 . 2 2 48 48 GLU N N 15 0.923171995624 0.0295479646226 7.07454336483e-11 1.29595394251e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 29 . 2 2 49 49 LYS N N 15 0.784863060945 0.0190701689611 3.30982660086e-11 5.0218070343e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 30 . 2 2 51 51 GLU N N 15 0.776249327213 0.043979618602 2.05272896196e-11 7.00635758057e-12 . . . . 1.49510903302e-37 5.70413131615e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 31 . 2 2 52 52 HIS N N 15 0.849470695328 0.0188201784146 1.79197381783e-11 5.26479022139e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 32 . 2 2 53 53 SER N N 15 0.951495323751 0.0429360108875 8.91057859828e-11 2.92669059679e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 33 . 2 2 54 54 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 34 . 2 2 55 55 LEU N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 35 . 2 2 56 56 SER N N 15 0.898564840735 0.0604001690848 3.06492249828e-11 3.13604971951e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 36 . 2 2 57 57 PHE N N 15 0.76789165051 0.0456944615062 1.40219701142e-11 5.66387014647e-12 . . . . 8.7401044175e-38 4.82675095386e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 37 . 2 2 58 58 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 38 . 2 2 60 60 ASP N N 15 0.900621978232 0.0380273762536 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 39 . 2 2 61 61 TRP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 40 . 2 2 61 61 TRP NE1 N 15 0.748527979101 0.0314725782326 1.14215231882e-11 4.69560951126e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 41 . 2 2 62 62 SER N N 15 0.870234061821 0.0677913042334 1.81067324081e-11 1.19195227276e-10 . . . . 3.1109312099e-37 1.04831712788e-37 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 42 . 2 2 63 63 PHE N N 15 0.606744542091 0.0491328961772 . . . . 8.62142754623e-10 1.62445588042e-10 . . . 'S2f, S2, ts' 0.734598886001 0.0484208836546 0.825953528727 0.0367523627101 . . . . . . . . . 26711 1 43 . 2 2 64 64 TYR N N 15 0.844864976058 0.0631653483854 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 44 . 2 2 65 65 LEU N N 15 0.831641021506 0.0521954995271 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 45 . 2 2 66 66 LEU N N 15 0.762516406651 0.0682064057526 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 46 . 2 2 67 67 TYR N N 15 0.890558857909 0.0616385130696 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 47 . 2 2 68 68 TYR N N 15 0.758190982574 0.0535798453557 8.63854686271e-12 5.09872571953e-12 . . . . 2.18736429911e-37 7.2566056996e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 48 . 2 2 69 69 THR N N 15 0.839355907441 0.043068553829 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 49 . 2 2 70 70 GLU N N 15 0.879925688477 0.024695711126 2.21099754663e-11 9.34489453944e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 50 . 2 2 71 71 PHE N N 15 0.909565326315 0.0412213771979 3.94514047584e-11 5.14325010284e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 51 . 2 2 72 72 THR N N 15 0.701222992413 0.0570338775045 5.94470706105e-12 3.63666281875e-12 . . . . 2.28233460767e-37 6.2519901346e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 52 . 2 2 74 74 THR N N 15 0.875907211811 0.0291434796477 1.63894996047e-11 1.25678209457e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 53 . 2 2 75 75 GLU N N 15 0.872345684737 0.11969232821 9.52788396078e-10 1.56280928752e-09 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 54 . 2 2 76 76 LYS N N 15 0.692581450371 0.0254224225751 . . . . 8.31976929324e-10 8.53812260306e-11 . . . 'S2f, S2, ts' 0.825587384617 0.0256102292366 0.838895389241 0.0187897112578 . . . . . . . . . 26711 1 55 . 2 2 77 77 ASP N N 15 0.834409541002 0.0248782387033 . . . . 8.24845170206e-10 8.76241900131e-10 . . . 'S2f, S2, ts' 0.8749095355 0.0236798316289 0.953709506121 0.0131258789264 . . . . . . . . . 26711 1 56 . 2 2 79 79 TYR N N 15 0.895392971786 0.038819597737 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 57 . 2 2 81 81 CYS N N 15 0.904970889007 0.038682748595 2.45489725135e-11 8.24338665234e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 58 . 2 2 82 82 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 59 . 2 2 83 83 VAL N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 60 . 2 2 84 84 ASN N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 61 . 2 2 85 85 HIS N N 15 0.91441509071 0.0258072006354 1.69030356056e-11 1.97033768963e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 62 . 2 2 86 86 VAL N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 63 . 2 2 87 87 THR N N 15 0.917508776864 0.0420285618846 2.99754760104e-11 7.23224612513e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 64 . 2 2 88 88 LEU N N 15 0.954084887691 0.0253683491901 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 65 . 2 2 90 90 GLN N N 15 0.863271425028 0.0158545536975 . . . . 7.39331303771e-10 9.92350948257e-11 . . . 'S2f, S2, ts' 0.916558063339 0.0135271679886 0.941862233892 0.00685803306153 . . . . . . . . . 26711 1 66 . 2 2 92 92 LYS N N 15 0.912756526457 0.041665684451 2.10410421414e-11 1.82143404717e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 67 . 2 2 93 93 ILE N N 15 0.866242950503 0.0220961800758 4.43210232249e-11 1.25413516944e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 68 . 2 2 94 94 VAL N N 15 0.90275671158 0.043620273938 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 69 . 2 2 95 95 LYS N N 15 0.836841235504 0.0417684146768 . . . . 1.79974276032e-09 2.59203937599e-09 . . . 'S2f, S2, ts' 0.869377949069 0.0368115650828 0.962574719545 0.0203917585164 . . . . . . . . . 26711 1 70 . 2 2 96 96 TRP N N 15 0.828116426529 0.0470181148839 2.08936180697e-11 1.92026228245e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 71 . 2 2 96 96 TRP NE1 N 15 0.742241822453 0.0416348081037 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 72 . 2 2 97 97 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 73 . 2 2 98 98 ARG N N 15 0.902395365341 0.0521210796512 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 74 . 2 2 99 99 ASP N N 15 0.948148394082 0.0241881736968 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 75 . 2 2 100 100 MET N N 15 0.774838349982 0.0215933904714 . . . . 6.50121695481e-10 1.19108812348e-10 . . . 'S2f, S2, ts' 0.837291710594 0.0227359007805 0.925410272403 0.0134628144674 . . . . . . . . . 26711 1 stop_ save_ save_order_parameter_list_bottom _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_bottom _Order_parameter_list.Entry_ID 26711 _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 . 26711 2 2 '600.18 MHz R2' . . . 26711 2 3 '600.18 MHz steady-state NOE' . . . 26711 2 4 '750.46 MHz R1' . . . 26711 2 5 '750.46 MHz R2' . . . 26711 2 6 '750.46 MHz steady-state NOE' . . . 26711 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 . . 26711 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 1 201 201 LYS N N 15 0.815298129241 0.011464238226 5.90385929478e-12 2.8901429613e-12 . . . . 1.00144390801e-37 2.03901298329e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 2 . 1 1 202 202 THR N N 15 0.882901803374 0.00966134511031 . . . . 7.12499361127e-10 9.6647108928e-10 . . . 'S2f, S2, ts' 0.905037988088 0.011274784923 0.974225113205 0.00771976546683 . . . . . . . . . 26711 2 3 . 1 1 203 203 HIS N N 15 0.852757283276 0.00980448399407 1.14823513219e-11 3.82527247919e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 4 . 1 1 205 205 THR N N 15 0.849469358989 0.0105416638786 1.01272755426e-11 3.39412846231e-12 . . . . 1.23130148391e-37 1.54765528833e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 5 . 1 1 206 206 HIS N N 15 0.823712916387 0.0117312315854 . . 1.41048974992e-11 6.31961863971e-12 3.07900103631e-09 3.85689253726e-09 . . . 'S2f, tf, S2, ts' 0.847391734122 0.00934006832944 0.970725887398 0.011976163097 . . . . . . . . . 26711 2 6 . 1 1 209 209 ILE N N 15 0.838739317838 0.0133134775445 . . . . 4.55777472071e-10 1.61490819485e-10 . . . 'S2f, S2, ts' 0.868571277428 0.025284996688 0.963029193741 0.0199122971503 . . . . . . . . . 26711 2 7 . 1 1 210 210 SER N N 15 0.737012798956 0.00911829664351 . . . . 1.06150186507e-09 9.17350830977e-11 . . . 'S2f, S2, ts' 0.872363196214 0.00958531469982 0.842559897165 0.00612164792768 . . . . . . . . . 26711 2 8 . 1 1 212 212 HIS N N 15 0.342710531138 0.175918920924 . . . . 1.56658114828e-09 6.75844546107e-10 2.9261982926e-37 1.42821934444e-37 . 'S2f, S2, ts, Rex' 0.475595351976 0.143628024474 0.718921128282 0.236863063995 . . . . . . . . . 26711 2 9 . 1 1 213 213 GLU N N 15 0.889116696315 0.00828859318945 3.04893605309e-11 5.79211592135e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 10 . 1 1 214 214 ALA N N 15 0.853672520094 0.0093277557645 6.37455017249e-12 3.31309766331e-12 . . . . 4.94969330374e-38 1.219739318e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 11 . 1 1 215 215 THR N N 15 0.803421902816 0.0086731305003 5.14482081872e-12 2.58021275424e-12 . . . . 7.15643344438e-38 1.13260231331e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 12 . 1 1 218 218 CYS N N 15 0.880702147263 0.0104906299827 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 2 13 . 1 1 219 219 TRP N N 15 0.835102272085 0.0091561021719 . . . . . . 1.15493787341e-37 1.78471509743e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 14 . 1 1 220 220 ALA N N 15 0.83108237171 0.00910680423909 . . . . . . 1.05867747637e-37 1.92160483783e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 15 . 1 1 222 222 GLY N N 15 0.762598314951 0.0116942541476 1.62347087532e-11 2.70098430778e-12 . . . . 3.39864686639e-38 1.4658153438e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 16 . 1 1 228 228 ILE N N 15 0.837520120304 0.0104136789799 1.05392015967e-11 3.65349664018e-12 . . . . 9.54833668468e-38 1.36943890899e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 17 . 1 1 230 230 LEU N N 15 0.846979738902 0.00588345629141 1.16639707857e-11 2.78637314544e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 18 . 1 1 231 231 THR N N 15 0.863453441618 0.00647929370838 1.51117527239e-11 3.28646554322e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 19 . 1 1 232 232 TRP N N 15 0.856329348565 0.00859735838256 1.33182486788e-11 3.63970925588e-12 . . . . 4.52621759214e-38 1.07125336795e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 20 . 1 1 233 233 GLN N N 15 0.864617523012 0.00711866352231 1.15337831715e-11 3.59070394593e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 21 . 1 1 234 234 ARG N N 15 0.865164698961 0.00636864408518 2.25330565889e-11 3.41462558867e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 22 . 1 1 235 235 ASP N N 15 0.882582111951 0.015687424776 . . 4.40889051373e-11 2.06962137229e-11 3.20586340226e-09 4.21390578752e-09 . . . 'S2f, tf, S2, ts' 0.919440653578 0.0132938250182 0.958710140597 0.0169652830994 . . . . . . . . . 26711 2 23 . 1 1 236 236 GLY N N 15 0.834167208316 0.0154036672377 . . . . 1.44745534652e-09 7.42120165932e-10 . . . 'S2f, S2, ts' 0.881874298258 0.0135638190972 0.944135459485 0.00700786265859 . . . . . . . . . 26711 2 24 . 1 1 237 237 GLU N N 15 0.952123395968 0.00643966098488 1.04923039668e-10 1.84970041439e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 25 . 1 1 242 242 ASP N N 15 0.850126555673 0.0162112365712 . . 3.45523496468e-11 1.70726190546e-11 2.41616412167e-09 3.50487172966e-09 . . . 'S2f, tf, S2, ts' 0.88044122356 0.0161656045891 0.96309607335 0.0164349834335 . . . . . . . . . 26711 2 26 . 1 1 243 243 THR N N 15 0.824323767993 0.00865656708767 . . . . 5.35518138033e-10 6.61678168674e-11 . . . 'S2f, S2, ts' 0.881855037783 0.00757039891428 0.93421931387 0.00473070256742 . . . . . . . . . 26711 2 27 . 1 1 244 244 GLU N N 15 0.863433212797 0.0113037384287 1.35251682062e-11 4.07218191643e-12 . . . . 5.21294769113e-38 1.70851554117e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 28 . 1 1 245 245 LEU N N 15 0.782674839622 0.0162305811223 . . . . 8.14986646916e-09 4.86462973617e-09 . . . 'S2f, S2, ts' 0.835444509782 0.00921034038854 0.936704267768 0.0233679479227 . . . . . . . . . 26711 2 29 . 1 1 246 246 VAL N N 15 0.854876740875 0.00789670736005 2.85715975968e-11 3.65612763384e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 30 . 1 1 247 247 GLU N N 15 0.814944040974 0.00841043031433 . . . . 6.40201435708e-10 2.02813002092e-10 . . . 'S2f, S2, ts' 0.837424490542 0.0103645771088 0.97161848069 0.00793783888684 . . . . . . . . . 26711 2 31 . 1 1 249 249 ARG N N 15 0.88943715077 0.0119188180736 . . . . . . 1.47775907391e-37 2.80088265128e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 32 . 1 1 251 251 ALA N N 15 0.82142420792 0.0123951125858 . . . . . . 1.5770056929e-37 1.88823368337e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 33 . 1 1 252 252 GLY N N 15 0.8870436033 0.0338540317195 . . . . 7.9754592115e-10 1.26675642263e-09 . . . 'S2f, S2, ts' 0.91869860744 0.0321323491138 0.964101037485 0.0151613536325 . . . . . . . . . 26711 2 34 . 1 1 253 253 ASP N N 15 0.979152329923 0.00961123871208 6.86375952834e-10 2.75475474258e-09 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 35 . 1 1 255 255 THR N N 15 0.77140923786 0.0254558453784 . . . . 6.84907993767e-10 9.53352547181e-11 . . . 'S2f, S2, ts' 0.867631929772 0.0215934116241 0.887603101474 0.0117280527838 . . . . . . . . . 26711 2 36 . 1 1 256 256 PHE N N 15 0.859568479985 0.0177271769177 1.13377215033e-11 6.06992326644e-12 . . . . 6.78670584502e-38 2.57534250894e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 37 . 1 1 257 257 GLN N N 15 0.7935313155 0.0112450211449 4.68623601335e-12 2.61086394726e-12 . . . . 9.03729083938e-38 1.73237346947e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 38 . 1 1 259 259 TRP N N 15 0.775988519788 0.00767159906153 . . . . . . 1.3041809747e-37 1.61313992584e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 39 . 1 1 260 260 ALA N N 15 0.86202250526 0.00987391693021 6.22555514969e-12 3.20178349168e-12 . . . . 5.37666916239e-38 1.8002243538e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 40 . 1 1 261 261 ALA N N 15 0.834977623417 0.0150251939649 6.73581721853e-12 4.09527722674e-12 . . . . 7.07018999766e-38 2.8832258169e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 41 . 1 1 263 263 VAL N N 15 0.794128962856 0.0108259441657 . . 9.69791603692e-12 3.86838608548e-12 4.37127438409e-09 3.88744309053e-09 . . . 'S2f, tf, S2, ts' 0.808952367388 0.00883929873194 0.981166699098 0.00851693440342 . . . . . . . . . 26711 2 42 . 1 1 266 266 SER N N 15 0.815358438603 0.00610938581816 1.46423660081e-11 2.10083731193e-12 . . . . 8.80675630296e-38 7.44417432763e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 43 . 1 1 267 267 GLY N N 15 0.784398815002 0.0143678322779 . . 1.81205619428e-11 5.6764346863e-12 2.20437908762e-08 5.06775097819e-09 . . . 'S2f, tf, S2, ts' 0.85491302937 0.0106272984877 0.922608876197 0.0139923782351 . . . . . . . . . 26711 2 44 . 1 1 269 269 GLU N N 15 0.807218570018 0.0136346950621 1.24753913966e-11 3.5962337752e-12 . . . . 1.44496284656e-37 1.95728025393e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 45 . 1 1 270 270 GLN N N 15 0.903789166717 0.0128839818646 2.93985333349e-11 7.26227319611e-12 . . . . 6.07038034926e-38 1.41021263136e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 46 . 1 1 272 272 TYR N N 15 0.699981036068 0.00968461902436 . . 9.78970867224e-12 4.60951367154e-12 2.29716342329e-09 1.6314751323e-09 . . . 'S2f, tf, S2, ts' 0.748274683511 0.0101311752817 0.934605030397 0.0104032468018 . . . . . . . . . 26711 2 47 . 1 1 273 273 THR N N 15 0.877150789879 0.0112557914894 . . . . 1.17945130601e-09 2.3021074695e-09 . . . 'S2f, S2, ts' 0.890060773234 0.00939066447652 0.985141464808 0.00456910516861 . . . . . . . . . 26711 2 48 . 1 1 274 274 CYS N N 15 0.864570820224 0.00958250125793 . . . . . . 5.09408642796e-38 1.61694817867e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 49 . 1 1 275 275 HIS N N 15 0.890322793118 0.00653819842383 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 2 50 . 1 1 276 276 VAL N N 15 0.842915950738 0.00791961122587 . . . . . . 3.12802231137e-38 1.364648955e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 51 . 1 1 278 278 HIS N N 15 0.832129646823 0.0067191650645 4.0296618831e-12 2.6785521216e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 52 . 1 1 279 279 GLU N N 15 0.926192339875 0.00881620598038 4.21995244942e-11 9.13794729991e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 53 . 1 1 280 280 GLY N N 15 0.822523495855 0.0194960693548 1.07432422868e-11 6.12158236502e-12 . . . . 1.28208681288e-37 2.90631056054e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 54 . 1 1 283 283 LYS N N 15 0.825882499812 0.0116198106044 . . . . 3.62925488284e-10 1.00886081516e-10 . . . 'S2f, S2, ts' 0.875118439379 0.0229767259912 0.942223030114 0.0166783907675 . . . . . . . . . 26711 2 55 . 1 1 287 287 LEU N N 15 0.873752383239 0.00781839231838 1.55349384517e-11 3.98184062238e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 56 . 1 1 288 288 ARG N N 15 0.69338261891 0.0489671556375 . . 8.19488329915e-12 2.31667448581e-12 8.49558658358e-09 5.12807427043e-09 5.61617507917e-38 3.04919399165e-38 . 'S2f, tf, S2, ts, Rex' 0.764111997188 0.0269418845742 0.908745823989 0.0445870861249 . . . . . . . . . 26711 2 57 . 1 1 289 289 TRP N N 15 0.810499462168 0.00613271273607 . . . . 9.97957326213e-10 1.06011810285e-10 . . . 'S2f, S2, ts' 0.857481738641 0.005577090741 0.946468640183 0.00338212423127 . . . . . . . . . 26711 2 58 . 1 1 290 290 GLU N N 15 0.651910326347 0.00414451076522 . . 5.0578421531e-11 2.16106530796e-12 2.78771590901e-09 6.08946037113e-10 . . . 'S2f, tf, S2, ts' 0.709327112919 0.00388807077271 0.91708243216 0.00388398867376 . . . . . . . . . 26711 2 stop_ save_ save_order_parameter_list_top _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_top _Order_parameter_list.Entry_ID 26711 _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 . 26711 3 2 '600.18 MHz R2' . . . 26711 3 3 '600.18 MHz steady-state NOE' . . . 26711 3 4 '750.46 MHz R1' . . . 26711 3 5 '750.46 MHz R2' . . . 26711 3 6 '750.46 MHz steady-state NOE' . . . 26711 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 . . 26711 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 0.689872084513 0.00838070000784 . . 3.88191377934e-11 4.95286639876e-12 3.27631087325e-09 9.17333688627e-10 . . . 'S2f, tf, S2, ts' 0.786137949199 0.00664607822411 0.86752806441 0.00928198546499 . . . . . . . . . 26711 3 2 . 1 1 19 19 SER N N 15 0.743846891194 0.0205351371642 7.31141339181e-12 3.21544935373e-12 . . . . 2.26360761229e-37 3.22708458317e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 3 . 1 1 28 28 SER N N 15 0.877945420291 0.010942322681 1.11975482318e-11 5.13119382415e-12 . . . . 1.20150223016e-37 1.39958668571e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 4 . 1 1 31 31 GLY N N 15 0.370307366539 0.0591549200087 . . 1.96347092975e-11 8.2463547745e-12 2.44616227017e-09 4.82413707578e-09 . . . 'S2f, tf, S2, ts' 0.504353246129 0.0330008116244 0.731697103948 0.116995554751 . . . . . . . . . 26711 3 5 . 1 1 33 33 GLY N N 15 0.253509940507 0.326851195201 6.47289939135e-12 4.16395241799e-10 . . . . 1.75166919855e-35 6.70527321108e-36 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 6 . 1 1 34 34 GLU N N 15 0.757937961404 0.0111385740226 . . . . 1.09141604211e-09 1.39127387987e-10 . . . 'S2f, S2, ts' 0.858780804743 0.0108823537081 0.875598649476 0.0075247363886 . . . . . . . . . 26711 3 7 . 1 1 36 36 ARG N N 15 0.879612245845 0.012240303192 . . . . 1.75127425176e-09 2.05161961296e-09 . . . 'S2f, S2, ts' 0.905134453189 0.0100297036026 0.965847597707 0.00649844664986 . . . . . . . . . 26711 3 8 . 1 1 37 37 PHE N N 15 0.913304599122 0.0110011618946 1.87387273325e-11 7.35394096609e-12 . . . . 4.07625136774e-41 8.48452007592e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 9 . 1 1 38 38 ILE N N 15 0.903162495931 0.00769536068297 1.2627377137e-11 5.60930779949e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 10 . 1 1 40 40 VAL N N 15 0.784496131494 0.0189547656323 . . . . 1.33628242054e-09 1.26308128026e-09 . . . 'S2f, S2, ts' 0.837568917313 0.0163704285535 0.935582648382 0.00940263846441 . . . . . . . . . 26711 3 11 . 1 1 41 41 GLY N N 15 0.862760452033 0.0210279369109 . . . . . . 6.78820366994e-38 3.45168310872e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 12 . 1 1 44 44 ASP N N 15 0.796725476713 0.0130917482849 . . . . . . 1.74758034666e-37 2.21667581276e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 13 . 1 1 45 45 ASP N N 15 0.841019762342 0.0293193234078 . . . . . . 1.69324905192e-37 4.30197942922e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 14 . 1 1 46 46 THR N N 15 0.854949897382 0.024349349106 . . . . . . 1.83171972268e-37 4.13891381015e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 15 . 1 1 47 47 LEU N N 15 0.786925997922 0.0221501192642 . . . . . . 1.77810042976e-37 3.65650222204e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 16 . 1 1 49 49 VAL N N 15 0.897384131841 0.0278110779261 . . . . . . 2.86707177066e-37 7.11168499129e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 17 . 1 1 50 50 ARG N N 15 0.803369750617 0.0193338797186 . . . . 1.4964082299e-09 1.93411745846e-09 . . . 'S2f, S2, ts' 0.838276684363 0.0160866850418 0.954872550369 0.00996693406257 . . . . . . . . . 26711 3 18 . 1 1 51 51 PHE N N 15 0.885292875662 0.012381852422 . . . . . . 1.74736216908e-37 2.20489736978e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 19 . 1 1 52 52 ASP N N 15 0.609825414372 0.086729439657 . . . . 5.73490599272e-09 4.69146569853e-09 1.95793119051e-37 5.63729873329e-38 . 'S2f, S2, ts, Rex' 0.690218284008 0.0500917884197 0.876835654845 0.081431238437 . . . . . . . . . 26711 3 20 . 1 1 53 53 SER N N 15 0.881885687064 0.0103316853157 . . . . . . 4.96123545094e-38 1.46738894947e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 21 . 1 1 54 54 ASP N N 15 0.863462496156 0.00945134642479 8.41422373118e-12 3.93303120021e-12 . . . . 1.47768068396e-37 1.29244703931e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 22 . 1 1 55 55 ALA N N 15 0.658016672613 0.0255729922434 . . . . 4.38537953096e-10 4.13014337911e-11 9.45306536971e-38 1.86477433909e-38 . 'S2f, S2, ts, Rex' 0.795472872737 0.0202416530076 0.821883444139 0.0117128251517 . . . . . . . . . 26711 3 23 . 1 1 57 57 SER N N 15 0.661180990213 0.0170800756425 . . 3.09980044875e-11 1.17957137164e-11 1.20146401674e-09 2.59530208618e-09 . . . 'S2f, tf, S2, ts' 0.712198234662 0.0270022061354 0.929965764733 0.0296700762999 . . . . . . . . . 26711 3 24 . 1 1 63 63 ARG N N 15 0.76573316274 0.0187480390965 . . . . . . 2.09923069359e-37 2.98327875284e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 25 . 1 1 64 64 ALA N N 15 0.821508779293 0.0167852301829 . . . . . . 1.54476701295e-37 3.7436405263e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 26 . 1 1 66 66 TRP N N 15 0.965759639614 0.0161368522627 6.7723980973e-11 2.85197641465e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 27 . 1 1 67 67 ILE N N 15 0.875207218394 0.0265312887963 2.04518659444e-11 1.01299549211e-11 . . . . 1.97889785692e-37 4.35505859744e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 28 . 1 1 68 68 GLU N N 15 0.84326988321 0.0201382161936 1.27557845712e-11 6.17128022718e-12 . . . . 1.77057864378e-37 3.44469344662e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 29 . 1 1 70 70 GLU N N 15 0.871412952338 0.0125297032416 1.90250612292e-11 4.33090063626e-12 . . . . 1.03663156759e-37 1.74680403292e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 30 . 1 1 71 71 GLY N N 15 0.529819550954 0.034708825264 . . . . 4.22305121947e-08 6.20706662367e-09 . . . 'S2f, S2, ts' 0.872564487739 0.014656218327 0.963862358619 0.0525353112025 . . . . . . . . . 26711 3 31 . 1 1 73 73 GLU N N 15 0.908773275456 0.0119740024948 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 32 . 1 1 74 74 TYR N N 15 0.87515939112 0.0163045363497 . . . . 1.41948530097e-09 1.84617461033e-09 . . . 'S2f, S2, ts' 0.903752822914 0.01403063087 0.963803073318 0.00711568984961 . . . . . . . . . 26711 3 33 . 1 1 77 77 ARG N N 15 0.935424759838 0.0124689502087 2.63884539912e-11 8.85265782852e-12 . . . . 2.78948070338e-38 1.68864315679e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 34 . 1 1 82 82 CYS N N 15 0.959955710414 0.0212174367123 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 35 . 1 1 83 83 LYS N N 15 0.929119066926 0.0135217881578 . . . . . . 5.19739668819e-38 2.32572193405e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 36 . 1 1 87 87 GLN N N 15 0.938439968562 0.0135088292653 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 37 . 1 1 90 90 ARG N N 15 0.954566453871 0.0132236933116 3.11919870311e-11 2.40841664221e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 38 . 1 1 92 92 ASP N N 15 0.966782403831 0.0184168259925 . . . . . . 8.39934118399e-38 2.74650261583e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 39 . 1 1 93 93 LEU N N 15 0.923729564137 0.0104813743104 . . . . . . 7.05519380744e-38 1.86144213334e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 40 . 1 1 94 94 ARG N N 15 0.92859747036 0.0172423464953 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 41 . 1 1 95 95 THR N N 15 0.185672102427 0.00120619926433 . . . . 9.69228445451e-10 1.24213998308e-11 . . . 'S2f, S2, ts' 0.706133629356 0.00431679166552 0.261088769609 0.00197740234321 . . . . . . . . . 26711 3 42 . 1 1 96 96 LEU N N 15 0.86862140263 0.0378624224396 . . . . 1.22401882704e-09 1.78891886271e-09 . . . 'S2f, S2, ts' 0.915751582209 0.0311006436964 0.939142301257 0.0155909481472 . . . . . . . . . 26711 3 43 . 1 1 100 100 TYR N N 15 0.849921328374 0.0126788661826 . . . . . . 9.69094566624e-38 2.25382976732e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 44 . 1 1 102 102 GLN N N 15 0.938407509152 0.0159081240666 4.47349037e-11 1.81800793757e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 45 . 1 1 106 106 GLY N N 15 0.607688277111 0.0218394850423 . . . . 4.82894391804e-10 4.48673794075e-11 . . . 'S2f, S2, ts' 0.787184978287 0.0215379932012 0.785090060306 0.0166933736032 . . . . . . . . . 26711 3 46 . 1 1 107 107 SER N N 15 0.744145110267 0.0138563810584 . . 1.92149489675e-11 7.90769389559e-12 2.69671702584e-09 2.96466799048e-09 . . . 'S2f, tf, S2, ts' 0.762631412023 0.0153112046834 0.978116355223 0.0151160734539 . . . . . . . . . 26711 3 47 . 1 1 108 108 HIS N N 15 0.847464272942 0.012307262084 . . . . 7.39422526653e-10 9.40564798648e-10 . . . 'S2f, S2, ts' 0.859011809798 0.031011555714 0.983137338965 0.0261891845607 . . . . . . . . . 26711 3 48 . 1 1 109 109 THR N N 15 0.864319458166 0.00652024496182 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 49 . 1 1 110 110 LEU N N 15 0.872923517662 0.0153344590429 . . . . . . 2.67354444456e-37 3.37382151701e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 50 . 1 1 112 112 ASN N N 15 0.813672038783 0.0190429812793 1.29414260555e-11 5.35123041112e-12 . . . . 1.05497573044e-37 2.73728996106e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 51 . 1 1 115 115 GLY N N 15 0.876592387982 0.0266653247522 1.65454289157e-11 9.0460165569e-12 . . . . 1.41353736233e-37 4.34074553148e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 52 . 1 1 116 116 CYS N N 15 0.886938918642 0.0231451771728 . . . . . . 4.76457407048e-38 3.24402541519e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 53 . 1 1 118 118 VAL N N 15 0.800511705071 0.0110337280907 . . . . . . 2.12470635079e-37 2.21223836312e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 54 . 1 1 119 119 GLY N N 15 0.819941419143 0.0134084986014 7.87033529281e-12 3.6818199984e-12 . . . . 1.20937434927e-37 2.0990908175e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 55 . 1 1 121 121 ASP N N 15 0.806271284946 0.0114624851566 . . . . 9.67985995677e-10 1.2667779241e-10 . . . 'S2f, S2, ts' 0.885760213641 0.0112029438346 0.905666138216 0.00614761193802 . . . . . . . . . 26711 3 56 . 1 1 122 122 GLY N N 15 0.89616805881 0.0198549914911 . . . . 8.13758448859e-10 1.27766508069e-09 . . . 'S2f, S2, ts' 0.922034970586 0.0177895773071 0.971080038864 0.00769629830835 . . . . . . . . . 26711 3 57 . 1 1 125 125 LEU N N 15 0.867791333882 0.0255432814513 . . . . . . 1.24269640193e-37 4.07368768584e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 58 . 1 1 126 126 ARG N N 15 0.851825651673 0.0204492345529 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 59 . 1 1 127 127 GLY N N 15 0.875730423207 0.0201245097965 1.83278082025e-11 8.75332922391e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 60 . 1 1 129 129 HIS N N 15 0.830134229129 0.0223569308278 . . . . . . 1.25163149803e-37 3.13262665989e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 61 . 1 1 130 130 GLN N N 15 0.910649658379 0.0200718048867 . . . . . . 1.27870549106e-37 3.31648981425e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 62 . 1 1 132 132 ALA N N 15 0.860059421137 0.020437744253 . . . . . . 2.02436771615e-37 3.58540838335e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 63 . 1 1 134 134 ASP N N 15 0.846250122496 0.0203226813505 1.95503746161e-11 6.67031920609e-12 . . . . 8.70302135406e-38 2.98825655612e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 64 . 1 1 135 135 GLY N N 15 0.872690987339 0.0235352715095 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 65 . 1 1 137 137 ASP N N 15 0.88936453583 0.015792034308 2.46104774736e-11 7.9079811876e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 66 . 1 1 139 139 ILE N N 15 0.861846706871 0.0248521933541 2.0584899711e-11 8.2863548325e-12 . . . . 1.31044423107e-37 3.50629144053e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 67 . 1 1 140 140 ALA N N 15 0.861459108705 0.0145679001914 . . . . . . 1.89912829689e-37 2.505503659e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 68 . 1 1 141 141 LEU N N 15 0.847299659687 0.0359791784303 . . . . . . 7.89248184247e-38 4.26340684642e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 69 . 1 1 143 143 GLU N N 15 0.93039762233 0.0128209051783 1.27864227628e-11 1.07016653287e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 70 . 1 1 144 144 ASP N N 15 0.832819821854 0.0218523926969 . . . . 7.40336798022e-09 4.7173694222e-09 . . . 'S2f, S2, ts' 0.904441695216 0.0138254735519 0.910493915374 0.0298964615667 . . . . . . . . . 26711 3 71 . 1 1 145 145 LEU N N 15 0.895960252587 0.0102955540672 . . . . . . 9.82625024403e-38 1.67045021488e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 72 . 1 1 146 146 SER N N 15 0.832828918418 0.0177927312771 1.03369719301e-11 5.14658297301e-12 . . . . 8.94443932286e-38 2.5930726292e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 73 . 1 1 147 147 SER N N 15 0.72626525681 0.0171741786901 1.90189626291e-11 2.81588198773e-12 . . . . 9.26672110356e-38 2.23228031052e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 74 . 1 1 149 149 THR N N 15 0.82478113834 0.00924795546364 . . . . . . 4.02108709521e-38 1.24989624447e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 75 . 1 1 150 150 ALA N N 15 0.932418692902 0.00776600271602 . . . . . . -5.59888349117e-58 6.71711246905e-39 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 76 . 1 1 151 151 ALA N N 15 0.871569010049 0.011621967846 . . . . 8.86722766165e-10 1.60045777383e-10 . . . 'S2f, S2, ts' 0.921781192874 0.0102984975749 0.964573422786 0.00563325012883 . . . . . . . . . 26711 3 77 . 1 1 152 152 ASP N N 15 0.865049290939 0.015812543076 . . 3.33092416628e-11 1.61860284187e-11 1.84164306695e-09 2.80132706772e-09 . . . 'S2f, tf, S2, ts' 0.891525860812 0.0165540298306 0.962927928854 0.0124173537283 . . . . . . . . . 26711 3 78 . 1 1 153 153 THR N N 15 0.947559133297 0.0211945775093 6.86502979028e-10 2.52838554011e-09 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 79 . 1 1 154 154 ALA N N 15 0.973157574056 0.00705872361609 5.90405143028e-10 4.85094534645e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 80 . 1 1 155 155 ALA N N 15 0.895905003724 0.0191642242277 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 81 . 1 1 156 156 GLN N N 15 0.933835267789 0.0110121468591 . . . . . . 1.07569949234e-38 1.33607240264e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 82 . 1 1 157 157 ILE N N 15 0.83803422141 0.0130252150997 . . . . . . 9.71871966881e-38 2.04887420032e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 83 . 1 1 158 158 THR N N 15 0.843074380538 0.0261543336147 . . . . . . 2.13576238994e-37 5.25199277014e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 84 . 1 1 160 160 ARG N N 15 0.871454299849 0.0127754562193 1.02251053431e-11 4.74794445267e-12 . . . . 1.01188945614e-37 1.9097932091e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 85 . 1 1 161 161 LYS N N 15 0.870024197465 0.0235568870652 . . . . . . 1.60728650384e-37 4.73612306015e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 86 . 1 1 162 162 TRP N N 15 0.879275515718 0.019867607987 . . . . . . 1.41033460211e-37 4.55718252625e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 87 . 1 1 163 163 GLU N N 15 0.951699392546 0.0151218352249 . . . . . . 1.30179996245e-38 2.25981239567e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 88 . 1 1 165 165 ALA N N 15 0.847735420047 0.0121450659838 7.06278526139e-12 4.14843454258e-12 . . . . 6.78433537123e-38 1.78453257833e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 89 . 1 1 166 166 ARG N N 15 0.833322910889 0.0224503836732 . . . . 1.08176018008e-08 4.89359602269e-09 . . . 'S2f, S2, ts' 0.899474322903 0.0141805171372 0.890356466182 0.0227899765672 . . . . . . . . . 26711 3 90 . 1 1 167 167 VAL N N 15 0.973211722779 0.0137963752776 7.99284232898e-11 3.74026887749e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 91 . 1 1 168 168 ALA N N 15 0.896744995911 0.0124213812728 . . . . 6.76673129697e-10 1.74229606744e-10 . . . 'S2f, S2, ts' 0.927388087794 0.0108715797174 0.958386929006 0.00477469708507 . . . . . . . . . 26711 3 92 . 1 1 172 172 ARG N N 15 0.894739383573 0.0127337916562 . . . . . . 1.05255456924e-37 2.50723105372e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 93 . 1 1 173 173 ALA N N 15 0.917885638716 0.0185068983895 . . . . . . 9.14807197973e-38 3.48291602094e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 94 . 1 1 175 175 LEU N N 15 0.887101031828 0.0273518491312 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 95 . 1 1 176 176 GLU N N 15 0.853468346369 0.015001979676 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 96 . 1 1 177 177 GLY N N 15 0.839939246803 0.0154506281504 1.48014505493e-11 4.43659213803e-12 . . . . 4.21372806291e-38 2.23737908608e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 97 . 1 1 178 178 GLU N N 15 0.835959494713 0.0231323113545 2.71392524505e-11 6.17946850563e-12 . . . . 8.64341158597e-38 3.56697310618e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 98 . 1 1 179 179 CYS N N 15 0.884383933394 0.0370581718944 2.08907966912e-11 1.68069795047e-11 . . . . 2.32423495201e-37 7.40461875725e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 99 . 1 1 180 180 VAL N N 15 0.78837698672 0.0165036166996 . . . . . . 1.8075420025e-37 3.35492297367e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 100 . 1 1 184 184 ARG N N 15 0.831109269003 0.0198411649383 . . . . . . 9.71982569448e-38 3.76406585623e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 101 . 1 1 185 185 ARG N N 15 0.875955321754 0.0172917771742 . . . . . . 1.58116824703e-37 3.55397817887e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 102 . 1 1 187 187 LEU N N 15 0.809779777921 0.0207599720282 1.03523806134e-11 4.1231571639e-12 . . . . 1.50975579149e-37 3.6590885824e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 103 . 1 1 190 190 GLY N N 15 0.840883438704 0.0185793870688 . . . . . . 9.15491357559e-38 3.25195644564e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 104 . 1 1 191 191 LYS N N 15 0.966981039995 0.0105572698868 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 105 . 1 1 192 192 GLU N N 15 0.969060675231 0.00956516312709 1.0250296715e-09 2.1822014615e-09 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 106 . 1 1 193 193 THR N N 15 0.950136250424 0.0239426022087 6.91711879708e-11 1.90969743338e-10 . . . . 1.08836802623e-37 4.54676485915e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 107 . 1 1 194 194 LEU N N 15 0.685938275222 0.218429726835 . . . . 1.53115366852e-09 2.58409575093e-09 2.13589108975e-37 1.64992146065e-37 . 'S2f, S2, ts, Rex' 0.758053252019 0.166267343552 0.902982527943 0.176101073276 . . . . . . . . . 26711 3 stop_ save_ save_Tensor_data_b2m _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_b2m _Tensor_list.Entry_ID 26711 _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 'Axial_sym_axis_azimuthal_angle: 2.11195703528.' 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 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 2 . . . . 2 2 8 8 ILE N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 3 . . . . 2 2 9 9 GLN N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 4 . . . . 2 2 12 12 SER N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 5 . . . . 2 2 13 13 ARG N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 6 . . . . 2 2 14 14 HIS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 7 . . . . 2 2 17 17 GLU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 8 . . . . 2 2 19 19 GLY N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 9 . . . . 2 2 20 20 LYS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 10 . . . . 2 2 23 23 PHE N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 11 . . . . 2 2 25 25 ASN N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 12 . . . . 2 2 26 26 CYS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 13 . . . . 2 2 27 27 TYR N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 14 . . . . 2 2 29 29 SER N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 15 . . . . 2 2 30 30 GLY N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 16 . . . . 2 2 31 31 PHE N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 17 . . . . 2 2 34 34 SER N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 18 . . . . 2 2 35 35 ASP N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 19 . . . . 2 2 37 37 GLU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 20 . . . . 2 2 38 38 VAL N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 21 . . . . 2 2 40 40 LEU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 22 . . . . 2 2 41 41 LEU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 23 . . . . 2 2 43 43 ASN N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 24 . . . . 2 2 44 44 GLY N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 25 . . . . 2 2 45 45 GLU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 26 . . . . 2 2 46 46 ARG N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 27 . . . . 2 2 47 47 ILE N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 28 . . . . 2 2 48 48 GLU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 29 . . . . 2 2 49 49 LYS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 30 . . . . 2 2 51 51 GLU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 31 . . . . 2 2 52 52 HIS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 32 . . . . 2 2 53 53 SER N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 33 . . . . 2 2 54 54 ASP N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 34 . . . . 2 2 55 55 LEU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 35 . . . . 2 2 56 56 SER N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 36 . . . . 2 2 57 57 PHE N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 37 . . . . 2 2 58 58 SER N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 38 . . . . 2 2 60 60 ASP N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 39 . . . . 2 2 61 61 TRP N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 40 . . . . 2 2 61 61 TRP NE1 N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 41 . . . . 2 2 62 62 SER N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 42 . . . . 2 2 63 63 PHE N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 43 . . . . 2 2 64 64 TYR N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 44 . . . . 2 2 65 65 LEU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 45 . . . . 2 2 66 66 LEU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 46 . . . . 2 2 67 67 TYR N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 47 . . . . 2 2 68 68 TYR N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 48 . . . . 2 2 69 69 THR N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 49 . . . . 2 2 70 70 GLU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 50 . . . . 2 2 71 71 PHE N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 51 . . . . 2 2 72 72 THR N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 52 . . . . 2 2 74 74 THR N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 53 . . . . 2 2 75 75 GLU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 54 . . . . 2 2 76 76 LYS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 55 . . . . 2 2 77 77 ASP N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 56 . . . . 2 2 79 79 TYR N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 57 . . . . 2 2 81 81 CYS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 58 . . . . 2 2 82 82 ARG N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 59 . . . . 2 2 83 83 VAL N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 60 . . . . 2 2 84 84 ASN N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 61 . . . . 2 2 85 85 HIS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 62 . . . . 2 2 86 86 VAL N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 63 . . . . 2 2 87 87 THR N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 64 . . . . 2 2 88 88 LEU N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 65 . . . . 2 2 90 90 GLN N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 66 . . . . 2 2 92 92 LYS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 67 . . . . 2 2 93 93 ILE N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 68 . . . . 2 2 94 94 VAL N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 69 . . . . 2 2 95 95 LYS N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 70 . . . . 2 2 96 96 TRP N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 71 . . . . 2 2 96 96 TRP NE1 N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 72 . . . . 2 2 97 97 ASP N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 73 . . . . 2 2 98 98 ARG N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 74 . . . . 2 2 99 99 ASP N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 75 . . . . 2 2 100 100 MET N N 15 5.02619134291 . 7812246.4311 -1561082.11492 . . . . . . . . . . . . . . . 7957828.55353 -623582.840548 236105.055657 -623582.840548 7295046.3545 392848.119214 236105.055657 392848.119214 8183864.38528 . . . . 26711 1 stop_ save_ save_Tensor_data_bottom _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_bottom _Tensor_list.Entry_ID 26711 _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 'Axial_sym_axis_azimuthal_angle: 1.94787462799.' 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 1 201 201 LYS N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 2 . . . . 1 1 202 202 THR N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 3 . . . . 1 1 203 203 HIS N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 4 . . . . 1 1 205 205 THR N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 5 . . . . 1 1 206 206 HIS N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 6 . . . . 1 1 209 209 ILE N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 7 . . . . 1 1 210 210 SER N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 8 . . . . 1 1 212 212 HIS N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 9 . . . . 1 1 213 213 GLU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 10 . . . . 1 1 214 214 ALA N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 11 . . . . 1 1 215 215 THR N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 12 . . . . 1 1 218 218 CYS N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 13 . . . . 1 1 219 219 TRP N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 14 . . . . 1 1 220 220 ALA N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 15 . . . . 1 1 222 222 GLY N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 16 . . . . 1 1 228 228 ILE N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 17 . . . . 1 1 230 230 LEU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 18 . . . . 1 1 231 231 THR N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 19 . . . . 1 1 232 232 TRP N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 20 . . . . 1 1 233 233 GLN N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 21 . . . . 1 1 234 234 ARG N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 22 . . . . 1 1 235 235 ASP N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 23 . . . . 1 1 236 236 GLY N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 24 . . . . 1 1 237 237 GLU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 25 . . . . 1 1 242 242 ASP N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 26 . . . . 1 1 243 243 THR N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 27 . . . . 1 1 244 244 GLU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 28 . . . . 1 1 245 245 LEU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 29 . . . . 1 1 246 246 VAL N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 30 . . . . 1 1 247 247 GLU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 31 . . . . 1 1 249 249 ARG N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 32 . . . . 1 1 251 251 ALA N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 33 . . . . 1 1 252 252 GLY N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 34 . . . . 1 1 253 253 ASP N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 35 . . . . 1 1 255 255 THR N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 36 . . . . 1 1 256 256 PHE N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 37 . . . . 1 1 257 257 GLN N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 38 . . . . 1 1 259 259 TRP N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 39 . . . . 1 1 260 260 ALA N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 40 . . . . 1 1 261 261 ALA N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 41 . . . . 1 1 263 263 VAL N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 42 . . . . 1 1 266 266 SER N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 43 . . . . 1 1 267 267 GLY N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 44 . . . . 1 1 269 269 GLU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 45 . . . . 1 1 270 270 GLN N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 46 . . . . 1 1 272 272 TYR N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 47 . . . . 1 1 273 273 THR N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 48 . . . . 1 1 274 274 CYS N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 49 . . . . 1 1 275 275 HIS N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 50 . . . . 1 1 276 276 VAL N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 51 . . . . 1 1 278 278 HIS N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 52 . . . . 1 1 279 279 GLU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 53 . . . . 1 1 280 280 GLY N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 54 . . . . 1 1 283 283 LYS N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 55 . . . . 1 1 287 287 LEU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 56 . . . . 1 1 288 288 ARG N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 57 . . . . 1 1 289 289 TRP N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 58 . . . . 1 1 290 290 GLU N N 15 2.36671505095 . 8014442.226 -2463662.07005 . . . . . . . . . . . . . . . 8672170.69777 -412829.048702 453466.699947 -412829.048702 7793241.29325 1145034.47544 453466.699947 1145034.47544 7577914.68697 . . . . 26711 2 stop_ save_ save_Tensor_data_top _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_top _Tensor_list.Entry_ID 26711 _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 'Axial_sym_axis_azimuthal_angle: 1.60641718382.' 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 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 2 . . . . 1 1 19 19 SER N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 3 . . . . 1 1 28 28 SER N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 4 . . . . 1 1 31 31 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 5 . . . . 1 1 33 33 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 6 . . . . 1 1 34 34 GLU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 7 . . . . 1 1 36 36 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 8 . . . . 1 1 37 37 PHE N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 9 . . . . 1 1 38 38 ILE N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 10 . . . . 1 1 40 40 VAL N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 11 . . . . 1 1 41 41 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 12 . . . . 1 1 44 44 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 13 . . . . 1 1 45 45 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 14 . . . . 1 1 46 46 THR N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 15 . . . . 1 1 47 47 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 16 . . . . 1 1 49 49 VAL N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 17 . . . . 1 1 50 50 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 18 . . . . 1 1 51 51 PHE N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 19 . . . . 1 1 52 52 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 20 . . . . 1 1 53 53 SER N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 21 . . . . 1 1 54 54 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 22 . . . . 1 1 55 55 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 23 . . . . 1 1 57 57 SER N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 24 . . . . 1 1 63 63 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 25 . . . . 1 1 64 64 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 26 . . . . 1 1 66 66 TRP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 27 . . . . 1 1 67 67 ILE N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 28 . . . . 1 1 68 68 GLU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 29 . . . . 1 1 70 70 GLU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 30 . . . . 1 1 71 71 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 31 . . . . 1 1 73 73 GLU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 32 . . . . 1 1 74 74 TYR N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 33 . . . . 1 1 77 77 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 34 . . . . 1 1 82 82 CYS N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 35 . . . . 1 1 83 83 LYS N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 36 . . . . 1 1 87 87 GLN N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 37 . . . . 1 1 90 90 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 38 . . . . 1 1 92 92 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 39 . . . . 1 1 93 93 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 40 . . . . 1 1 94 94 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 41 . . . . 1 1 95 95 THR N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 42 . . . . 1 1 96 96 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 43 . . . . 1 1 100 100 TYR N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 44 . . . . 1 1 102 102 GLN N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 45 . . . . 1 1 106 106 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 46 . . . . 1 1 107 107 SER N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 47 . . . . 1 1 108 108 HIS N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 48 . . . . 1 1 109 109 THR N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 49 . . . . 1 1 110 110 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 50 . . . . 1 1 112 112 ASN N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 51 . . . . 1 1 115 115 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 52 . . . . 1 1 116 116 CYS N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 53 . . . . 1 1 118 118 VAL N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 54 . . . . 1 1 119 119 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 55 . . . . 1 1 121 121 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 56 . . . . 1 1 122 122 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 57 . . . . 1 1 125 125 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 58 . . . . 1 1 126 126 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 59 . . . . 1 1 127 127 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 60 . . . . 1 1 129 129 HIS N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 61 . . . . 1 1 130 130 GLN N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 62 . . . . 1 1 132 132 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 63 . . . . 1 1 134 134 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 64 . . . . 1 1 135 135 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 65 . . . . 1 1 137 137 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 66 . . . . 1 1 139 139 ILE N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 67 . . . . 1 1 140 140 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 68 . . . . 1 1 141 141 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 69 . . . . 1 1 143 143 GLU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 70 . . . . 1 1 144 144 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 71 . . . . 1 1 145 145 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 72 . . . . 1 1 146 146 SER N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 73 . . . . 1 1 147 147 SER N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 74 . . . . 1 1 149 149 THR N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 75 . . . . 1 1 150 150 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 76 . . . . 1 1 151 151 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 77 . . . . 1 1 152 152 ASP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 78 . . . . 1 1 153 153 THR N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 79 . . . . 1 1 154 154 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 80 . . . . 1 1 155 155 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 81 . . . . 1 1 156 156 GLN N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 82 . . . . 1 1 157 157 ILE N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 83 . . . . 1 1 158 158 THR N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 84 . . . . 1 1 160 160 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 85 . . . . 1 1 161 161 LYS N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 86 . . . . 1 1 162 162 TRP N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 87 . . . . 1 1 163 163 GLU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 88 . . . . 1 1 165 165 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 89 . . . . 1 1 166 166 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 90 . . . . 1 1 167 167 VAL N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 91 . . . . 1 1 168 168 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 92 . . . . 1 1 172 172 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 93 . . . . 1 1 173 173 ALA N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 94 . . . . 1 1 175 175 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 95 . . . . 1 1 176 176 GLU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 96 . . . . 1 1 177 177 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 97 . . . . 1 1 178 178 GLU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 98 . . . . 1 1 179 179 CYS N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 99 . . . . 1 1 180 180 VAL N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 100 . . . . 1 1 184 184 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 101 . . . . 1 1 185 185 ARG N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 102 . . . . 1 1 187 187 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 103 . . . . 1 1 190 190 GLY N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 104 . . . . 1 1 191 191 LYS N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 105 . . . . 1 1 192 192 GLU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 106 . . . . 1 1 193 193 THR N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 107 . . . . 1 1 194 194 LEU N N 15 1.45486104935 . 7893187.08227 -2131844.68393 . . . . . . . . . . . . . . . 8601134.31907 -74858.655673 -8723.38664235 -74858.655673 6503150.90088 -244791.886418 -8723.38664235 -244791.886418 8575276.02687 . . . . 26711 3 stop_ save_