data_26712 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26712 _Entry.Title ; Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:09 in complex with the peptide pVIPR ; _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*27:09 in complex with the nonamer peptide pVIPR (RRKWRRWHL). ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Martin Ballaschk . . . . 26712 2 Andreas Ziegler . . . . 26712 3 Barbara Uchanska-Ziegler . . . . 26712 4 Anne Diehl . . . . 26712 5 Peter Schmieder . . . . 26712 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 6 26712 order_parameters 3 26712 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'General relaxation values' 1004 26712 'chemical shift anisotropy values' 251 26712 'heteronuclear NOE values' 502 26712 'order parameters' 251 26712 tensors 251 26712 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 . 26712 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19123 'Chemical shifts for the beta-2 Microglobulin subunit of HLA-B*27:09/pVIPR' 26712 BMRB 25713 'Chemical shifts for the heavy chain of of HLA-B*27:09/pVIPR' 26712 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' 26712 BMRB 26711 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:05 in complex with the peptide TIS' 26712 BMRB 26713 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:09 in complex with the peptide TIS' 26712 BMRB 26714 'Relaxation and model-free data from human beta-2-microglobulin' 26712 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 26712 _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. . . 26712 1 2 Edward d'Auvergne . J. . . 26712 1 3 Murray Coles C H . . 26712 1 4 Tony Velkov V H . . 26712 1 5 Yanni Chen C H . . 26712 1 6 William Charman . N. . . 26712 1 7 Richard Prankerd P H . . 26712 1 8 Paul Gooley . R. . . 26712 1 9 Martin J. . Scanlon . . 26712 1 stop_ save_ save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 26712 _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. . . 26712 2 2 Paul Gooley P. R. . . 26712 2 stop_ save_ save_entry_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_3 _Citation.Entry_ID 26712 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s10858-007-9213-3 _Citation.PubMed_ID 18085411 _Citation.Full_citation ; d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. J. Biomol. NMR, 40(2), 121-133. ; _Citation.Title ; Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 40 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 121 _Citation.Page_last 133 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Edward d'Auvergne E. J. . . 26712 3 2 Paul Gooley P. R. . . 26712 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26712 _Assembly.ID 1 _Assembly.Name B2705/pVIPR _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'heavy chain' 1 $1of2-hkca_mol1 A . yes native no no . 'antigen binding' . 26712 1 2 b2m 2 $1of2-hkca_mol2 B . yes native no no . structural . 26712 1 3 pVIPR 3 $1of2-hkca_mol3 C . no native no no . antigen . 26712 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 . . . . . . . . . . 26712 1 2 disulfide single . 1 . 1 CYS 218 218 SG . 1 . 1 CYS 274 274 SG . . . . . . . . . . 26712 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . . . . . . . . 26712 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_1of2-hkca_mol1 _Entity.Sf_category entity _Entity.Sf_framecode 1of2-hkca_mol1 _Entity.Entry_ID 26712 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 1of2-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 . _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 . 26712 1 2 -13 ALA . 26712 1 3 -12 HIS . 26712 1 4 -11 HIS . 26712 1 5 -10 HIS . 26712 1 6 -9 HIS . 26712 1 7 -8 HIS . 26712 1 8 -7 HIS . 26712 1 9 -6 VAL . 26712 1 10 -5 ASP . 26712 1 11 -4 ASP . 26712 1 12 -3 ASP . 26712 1 13 -2 ASP . 26712 1 14 -1 LYS . 26712 1 15 0 ILE . 26712 1 16 1 GLY . 26712 1 17 2 SER . 26712 1 18 3 HIS . 26712 1 19 4 SER . 26712 1 20 5 MET . 26712 1 21 6 ARG . 26712 1 22 7 TYR . 26712 1 23 8 PHE . 26712 1 24 9 HIS . 26712 1 25 10 THR . 26712 1 26 11 SER . 26712 1 27 12 VAL . 26712 1 28 13 SER . 26712 1 29 14 ARG . 26712 1 30 15 PRO . 26712 1 31 16 GLY . 26712 1 32 17 ARG . 26712 1 33 18 GLY . 26712 1 34 19 GLU . 26712 1 35 20 PRO . 26712 1 36 21 ARG . 26712 1 37 22 PHE . 26712 1 38 23 ILE . 26712 1 39 24 THR . 26712 1 40 25 VAL . 26712 1 41 26 GLY . 26712 1 42 27 TYR . 26712 1 43 28 VAL . 26712 1 44 29 ASP . 26712 1 45 30 ASP . 26712 1 46 31 THR . 26712 1 47 32 LEU . 26712 1 48 33 PHE . 26712 1 49 34 VAL . 26712 1 50 35 ARG . 26712 1 51 36 PHE . 26712 1 52 37 ASP . 26712 1 53 38 SER . 26712 1 54 39 ASP . 26712 1 55 40 ALA . 26712 1 56 41 ALA . 26712 1 57 42 SER . 26712 1 58 43 PRO . 26712 1 59 44 ARG . 26712 1 60 45 GLU . 26712 1 61 46 GLU . 26712 1 62 47 PRO . 26712 1 63 48 ARG . 26712 1 64 49 ALA . 26712 1 65 50 PRO . 26712 1 66 51 TRP . 26712 1 67 52 ILE . 26712 1 68 53 GLU . 26712 1 69 54 GLN . 26712 1 70 55 GLU . 26712 1 71 56 GLY . 26712 1 72 57 PRO . 26712 1 73 58 GLU . 26712 1 74 59 TYR . 26712 1 75 60 TRP . 26712 1 76 61 ASP . 26712 1 77 62 ARG . 26712 1 78 63 GLU . 26712 1 79 64 THR . 26712 1 80 65 GLN . 26712 1 81 66 ILE . 26712 1 82 67 CYS . 26712 1 83 68 LYS . 26712 1 84 69 ALA . 26712 1 85 70 LYS . 26712 1 86 71 ALA . 26712 1 87 72 GLN . 26712 1 88 73 THR . 26712 1 89 74 ASP . 26712 1 90 75 ARG . 26712 1 91 76 GLU . 26712 1 92 77 ASP . 26712 1 93 78 LEU . 26712 1 94 79 ARG . 26712 1 95 80 THR . 26712 1 96 81 LEU . 26712 1 97 82 LEU . 26712 1 98 83 ARG . 26712 1 99 84 TYR . 26712 1 100 85 TYR . 26712 1 101 86 ASN . 26712 1 102 87 GLN . 26712 1 103 88 SER . 26712 1 104 89 GLU . 26712 1 105 90 ALA . 26712 1 106 91 GLY . 26712 1 107 92 SER . 26712 1 108 93 HIS . 26712 1 109 94 THR . 26712 1 110 95 LEU . 26712 1 111 96 GLN . 26712 1 112 97 ASN . 26712 1 113 98 MET . 26712 1 114 99 TYR . 26712 1 115 100 GLY . 26712 1 116 101 CYS . 26712 1 117 102 ASP . 26712 1 118 103 VAL . 26712 1 119 104 GLY . 26712 1 120 105 PRO . 26712 1 121 106 ASP . 26712 1 122 107 GLY . 26712 1 123 108 ARG . 26712 1 124 109 LEU . 26712 1 125 110 LEU . 26712 1 126 111 ARG . 26712 1 127 112 GLY . 26712 1 128 113 TYR . 26712 1 129 114 HIS . 26712 1 130 115 GLN . 26712 1 131 116 ASP . 26712 1 132 117 ALA . 26712 1 133 118 TYR . 26712 1 134 119 ASP . 26712 1 135 120 GLY . 26712 1 136 121 LYS . 26712 1 137 122 ASP . 26712 1 138 123 TYR . 26712 1 139 124 ILE . 26712 1 140 125 ALA . 26712 1 141 126 LEU . 26712 1 142 127 ASN . 26712 1 143 128 GLU . 26712 1 144 129 ASP . 26712 1 145 130 LEU . 26712 1 146 131 SER . 26712 1 147 132 SER . 26712 1 148 133 TRP . 26712 1 149 134 THR . 26712 1 150 135 ALA . 26712 1 151 136 ALA . 26712 1 152 137 ASP . 26712 1 153 138 THR . 26712 1 154 139 ALA . 26712 1 155 140 ALA . 26712 1 156 141 GLN . 26712 1 157 142 ILE . 26712 1 158 143 THR . 26712 1 159 144 GLN . 26712 1 160 145 ARG . 26712 1 161 146 LYS . 26712 1 162 147 TRP . 26712 1 163 148 GLU . 26712 1 164 149 ALA . 26712 1 165 150 ALA . 26712 1 166 151 ARG . 26712 1 167 152 VAL . 26712 1 168 153 ALA . 26712 1 169 154 GLU . 26712 1 170 155 GLN . 26712 1 171 156 LEU . 26712 1 172 157 ARG . 26712 1 173 158 ALA . 26712 1 174 159 TYR . 26712 1 175 160 LEU . 26712 1 176 161 GLU . 26712 1 177 162 GLY . 26712 1 178 163 GLU . 26712 1 179 164 CYS . 26712 1 180 165 VAL . 26712 1 181 166 GLU . 26712 1 182 167 TRP . 26712 1 183 168 LEU . 26712 1 184 169 ARG . 26712 1 185 170 ARG . 26712 1 186 171 TYR . 26712 1 187 172 LEU . 26712 1 188 173 GLU . 26712 1 189 174 ASN . 26712 1 190 175 GLY . 26712 1 191 176 LYS . 26712 1 192 177 GLU . 26712 1 193 178 THR . 26712 1 194 179 LEU . 26712 1 195 180 GLN . 26712 1 196 181 ARG . 26712 1 197 182 ALA . 26712 1 198 183 ASP . 26712 1 199 184 PRO . 26712 1 200 185 PRO . 26712 1 201 186 LYS . 26712 1 202 187 THR . 26712 1 203 188 HIS . 26712 1 204 189 VAL . 26712 1 205 190 THR . 26712 1 206 191 HIS . 26712 1 207 192 HIS . 26712 1 208 193 PRO . 26712 1 209 194 ILE . 26712 1 210 195 SER . 26712 1 211 196 ASP . 26712 1 212 197 HIS . 26712 1 213 198 GLU . 26712 1 214 199 ALA . 26712 1 215 200 THR . 26712 1 216 201 LEU . 26712 1 217 202 ARG . 26712 1 218 203 CYS . 26712 1 219 204 TRP . 26712 1 220 205 ALA . 26712 1 221 206 LEU . 26712 1 222 207 GLY . 26712 1 223 208 PHE . 26712 1 224 209 TYR . 26712 1 225 210 PRO . 26712 1 226 211 ALA . 26712 1 227 212 GLU . 26712 1 228 213 ILE . 26712 1 229 214 THR . 26712 1 230 215 LEU . 26712 1 231 216 THR . 26712 1 232 217 TRP . 26712 1 233 218 GLN . 26712 1 234 219 ARG . 26712 1 235 220 ASP . 26712 1 236 221 GLY . 26712 1 237 222 GLU . 26712 1 238 223 ASP . 26712 1 239 224 GLN . 26712 1 240 225 THR . 26712 1 241 226 GLN . 26712 1 242 227 ASP . 26712 1 243 228 THR . 26712 1 244 229 GLU . 26712 1 245 230 LEU . 26712 1 246 231 VAL . 26712 1 247 232 GLU . 26712 1 248 233 THR . 26712 1 249 234 ARG . 26712 1 250 235 PRO . 26712 1 251 236 ALA . 26712 1 252 237 GLY . 26712 1 253 238 ASP . 26712 1 254 239 ARG . 26712 1 255 240 THR . 26712 1 256 241 PHE . 26712 1 257 242 GLN . 26712 1 258 243 LYS . 26712 1 259 244 TRP . 26712 1 260 245 ALA . 26712 1 261 246 ALA . 26712 1 262 247 VAL . 26712 1 263 248 VAL . 26712 1 264 249 VAL . 26712 1 265 250 PRO . 26712 1 266 251 SER . 26712 1 267 252 GLY . 26712 1 268 253 GLU . 26712 1 269 254 GLU . 26712 1 270 255 GLN . 26712 1 271 256 ARG . 26712 1 272 257 TYR . 26712 1 273 258 THR . 26712 1 274 259 CYS . 26712 1 275 260 HIS . 26712 1 276 261 VAL . 26712 1 277 262 GLN . 26712 1 278 263 HIS . 26712 1 279 264 GLU . 26712 1 280 265 GLY . 26712 1 281 266 LEU . 26712 1 282 267 PRO . 26712 1 283 268 LYS . 26712 1 284 269 PRO . 26712 1 285 270 LEU . 26712 1 286 271 THR . 26712 1 287 272 LEU . 26712 1 288 273 ARG . 26712 1 289 274 TRP . 26712 1 290 275 GLU . 26712 1 291 276 PRO . 26712 1 292 277 SER . 26712 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 26712 1 . ALA 2 2 26712 1 . HIS 3 3 26712 1 . HIS 4 4 26712 1 . HIS 5 5 26712 1 . HIS 6 6 26712 1 . HIS 7 7 26712 1 . HIS 8 8 26712 1 . VAL 9 9 26712 1 . ASP 10 10 26712 1 . ASP 11 11 26712 1 . ASP 12 12 26712 1 . ASP 13 13 26712 1 . LYS 14 14 26712 1 . ILE 15 15 26712 1 . GLY 16 16 26712 1 . SER 17 17 26712 1 . HIS 18 18 26712 1 . SER 19 19 26712 1 . MET 20 20 26712 1 . ARG 21 21 26712 1 . TYR 22 22 26712 1 . PHE 23 23 26712 1 . HIS 24 24 26712 1 . THR 25 25 26712 1 . SER 26 26 26712 1 . VAL 27 27 26712 1 . SER 28 28 26712 1 . ARG 29 29 26712 1 . PRO 30 30 26712 1 . GLY 31 31 26712 1 . ARG 32 32 26712 1 . GLY 33 33 26712 1 . GLU 34 34 26712 1 . PRO 35 35 26712 1 . ARG 36 36 26712 1 . PHE 37 37 26712 1 . ILE 38 38 26712 1 . THR 39 39 26712 1 . VAL 40 40 26712 1 . GLY 41 41 26712 1 . TYR 42 42 26712 1 . VAL 43 43 26712 1 . ASP 44 44 26712 1 . ASP 45 45 26712 1 . THR 46 46 26712 1 . LEU 47 47 26712 1 . PHE 48 48 26712 1 . VAL 49 49 26712 1 . ARG 50 50 26712 1 . PHE 51 51 26712 1 . ASP 52 52 26712 1 . SER 53 53 26712 1 . ASP 54 54 26712 1 . ALA 55 55 26712 1 . ALA 56 56 26712 1 . SER 57 57 26712 1 . PRO 58 58 26712 1 . ARG 59 59 26712 1 . GLU 60 60 26712 1 . GLU 61 61 26712 1 . PRO 62 62 26712 1 . ARG 63 63 26712 1 . ALA 64 64 26712 1 . PRO 65 65 26712 1 . TRP 66 66 26712 1 . ILE 67 67 26712 1 . GLU 68 68 26712 1 . GLN 69 69 26712 1 . GLU 70 70 26712 1 . GLY 71 71 26712 1 . PRO 72 72 26712 1 . GLU 73 73 26712 1 . TYR 74 74 26712 1 . TRP 75 75 26712 1 . ASP 76 76 26712 1 . ARG 77 77 26712 1 . GLU 78 78 26712 1 . THR 79 79 26712 1 . GLN 80 80 26712 1 . ILE 81 81 26712 1 . CYS 82 82 26712 1 . LYS 83 83 26712 1 . ALA 84 84 26712 1 . LYS 85 85 26712 1 . ALA 86 86 26712 1 . GLN 87 87 26712 1 . THR 88 88 26712 1 . ASP 89 89 26712 1 . ARG 90 90 26712 1 . GLU 91 91 26712 1 . ASP 92 92 26712 1 . LEU 93 93 26712 1 . ARG 94 94 26712 1 . THR 95 95 26712 1 . LEU 96 96 26712 1 . LEU 97 97 26712 1 . ARG 98 98 26712 1 . TYR 99 99 26712 1 . TYR 100 100 26712 1 . ASN 101 101 26712 1 . GLN 102 102 26712 1 . SER 103 103 26712 1 . GLU 104 104 26712 1 . ALA 105 105 26712 1 . GLY 106 106 26712 1 . SER 107 107 26712 1 . HIS 108 108 26712 1 . THR 109 109 26712 1 . LEU 110 110 26712 1 . GLN 111 111 26712 1 . ASN 112 112 26712 1 . MET 113 113 26712 1 . TYR 114 114 26712 1 . GLY 115 115 26712 1 . CYS 116 116 26712 1 . ASP 117 117 26712 1 . VAL 118 118 26712 1 . GLY 119 119 26712 1 . PRO 120 120 26712 1 . ASP 121 121 26712 1 . GLY 122 122 26712 1 . ARG 123 123 26712 1 . LEU 124 124 26712 1 . LEU 125 125 26712 1 . ARG 126 126 26712 1 . GLY 127 127 26712 1 . TYR 128 128 26712 1 . HIS 129 129 26712 1 . GLN 130 130 26712 1 . ASP 131 131 26712 1 . ALA 132 132 26712 1 . TYR 133 133 26712 1 . ASP 134 134 26712 1 . GLY 135 135 26712 1 . LYS 136 136 26712 1 . ASP 137 137 26712 1 . TYR 138 138 26712 1 . ILE 139 139 26712 1 . ALA 140 140 26712 1 . LEU 141 141 26712 1 . ASN 142 142 26712 1 . GLU 143 143 26712 1 . ASP 144 144 26712 1 . LEU 145 145 26712 1 . SER 146 146 26712 1 . SER 147 147 26712 1 . TRP 148 148 26712 1 . THR 149 149 26712 1 . ALA 150 150 26712 1 . ALA 151 151 26712 1 . ASP 152 152 26712 1 . THR 153 153 26712 1 . ALA 154 154 26712 1 . ALA 155 155 26712 1 . GLN 156 156 26712 1 . ILE 157 157 26712 1 . THR 158 158 26712 1 . GLN 159 159 26712 1 . ARG 160 160 26712 1 . LYS 161 161 26712 1 . TRP 162 162 26712 1 . GLU 163 163 26712 1 . ALA 164 164 26712 1 . ALA 165 165 26712 1 . ARG 166 166 26712 1 . VAL 167 167 26712 1 . ALA 168 168 26712 1 . GLU 169 169 26712 1 . GLN 170 170 26712 1 . LEU 171 171 26712 1 . ARG 172 172 26712 1 . ALA 173 173 26712 1 . TYR 174 174 26712 1 . LEU 175 175 26712 1 . GLU 176 176 26712 1 . GLY 177 177 26712 1 . GLU 178 178 26712 1 . CYS 179 179 26712 1 . VAL 180 180 26712 1 . GLU 181 181 26712 1 . TRP 182 182 26712 1 . LEU 183 183 26712 1 . ARG 184 184 26712 1 . ARG 185 185 26712 1 . TYR 186 186 26712 1 . LEU 187 187 26712 1 . GLU 188 188 26712 1 . ASN 189 189 26712 1 . GLY 190 190 26712 1 . LYS 191 191 26712 1 . GLU 192 192 26712 1 . THR 193 193 26712 1 . LEU 194 194 26712 1 . GLN 195 195 26712 1 . ARG 196 196 26712 1 . ALA 197 197 26712 1 . ASP 198 198 26712 1 . PRO 199 199 26712 1 . PRO 200 200 26712 1 . LYS 201 201 26712 1 . THR 202 202 26712 1 . HIS 203 203 26712 1 . VAL 204 204 26712 1 . THR 205 205 26712 1 . HIS 206 206 26712 1 . HIS 207 207 26712 1 . PRO 208 208 26712 1 . ILE 209 209 26712 1 . SER 210 210 26712 1 . ASP 211 211 26712 1 . HIS 212 212 26712 1 . GLU 213 213 26712 1 . ALA 214 214 26712 1 . THR 215 215 26712 1 . LEU 216 216 26712 1 . ARG 217 217 26712 1 . CYS 218 218 26712 1 . TRP 219 219 26712 1 . ALA 220 220 26712 1 . LEU 221 221 26712 1 . GLY 222 222 26712 1 . PHE 223 223 26712 1 . TYR 224 224 26712 1 . PRO 225 225 26712 1 . ALA 226 226 26712 1 . GLU 227 227 26712 1 . ILE 228 228 26712 1 . THR 229 229 26712 1 . LEU 230 230 26712 1 . THR 231 231 26712 1 . TRP 232 232 26712 1 . GLN 233 233 26712 1 . ARG 234 234 26712 1 . ASP 235 235 26712 1 . GLY 236 236 26712 1 . GLU 237 237 26712 1 . ASP 238 238 26712 1 . GLN 239 239 26712 1 . THR 240 240 26712 1 . GLN 241 241 26712 1 . ASP 242 242 26712 1 . THR 243 243 26712 1 . GLU 244 244 26712 1 . LEU 245 245 26712 1 . VAL 246 246 26712 1 . GLU 247 247 26712 1 . THR 248 248 26712 1 . ARG 249 249 26712 1 . PRO 250 250 26712 1 . ALA 251 251 26712 1 . GLY 252 252 26712 1 . ASP 253 253 26712 1 . ARG 254 254 26712 1 . THR 255 255 26712 1 . PHE 256 256 26712 1 . GLN 257 257 26712 1 . LYS 258 258 26712 1 . TRP 259 259 26712 1 . ALA 260 260 26712 1 . ALA 261 261 26712 1 . VAL 262 262 26712 1 . VAL 263 263 26712 1 . VAL 264 264 26712 1 . PRO 265 265 26712 1 . SER 266 266 26712 1 . GLY 267 267 26712 1 . GLU 268 268 26712 1 . GLU 269 269 26712 1 . GLN 270 270 26712 1 . ARG 271 271 26712 1 . TYR 272 272 26712 1 . THR 273 273 26712 1 . CYS 274 274 26712 1 . HIS 275 275 26712 1 . VAL 276 276 26712 1 . GLN 277 277 26712 1 . HIS 278 278 26712 1 . GLU 279 279 26712 1 . GLY 280 280 26712 1 . LEU 281 281 26712 1 . PRO 282 282 26712 1 . LYS 283 283 26712 1 . PRO 284 284 26712 1 . LEU 285 285 26712 1 . THR 286 286 26712 1 . LEU 287 287 26712 1 . ARG 288 288 26712 1 . TRP 289 289 26712 1 . GLU 290 290 26712 1 . PRO 291 291 26712 1 . SER 292 292 26712 1 stop_ save_ save_1of2-hkca_mol2 _Entity.Sf_category entity _Entity.Sf_framecode 1of2-hkca_mol2 _Entity.Entry_ID 26712 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 1ogt-hkca_mol2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first residue (0, M) is the start codon from the bacterial expression system and hence not present in the native protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment human_beta-2_microglobulin _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11864.3434 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 26712 2 2 1 ILE . 26712 2 3 2 GLN . 26712 2 4 3 ARG . 26712 2 5 4 THR . 26712 2 6 5 PRO . 26712 2 7 6 LYS . 26712 2 8 7 ILE . 26712 2 9 8 GLN . 26712 2 10 9 VAL . 26712 2 11 10 TYR . 26712 2 12 11 SER . 26712 2 13 12 ARG . 26712 2 14 13 HIS . 26712 2 15 14 PRO . 26712 2 16 15 ALA . 26712 2 17 16 GLU . 26712 2 18 17 ASN . 26712 2 19 18 GLY . 26712 2 20 19 LYS . 26712 2 21 20 SER . 26712 2 22 21 ASN . 26712 2 23 22 PHE . 26712 2 24 23 LEU . 26712 2 25 24 ASN . 26712 2 26 25 CYS . 26712 2 27 26 TYR . 26712 2 28 27 VAL . 26712 2 29 28 SER . 26712 2 30 29 GLY . 26712 2 31 30 PHE . 26712 2 32 31 HIS . 26712 2 33 32 PRO . 26712 2 34 33 SER . 26712 2 35 34 ASP . 26712 2 36 35 ILE . 26712 2 37 36 GLU . 26712 2 38 37 VAL . 26712 2 39 38 ASP . 26712 2 40 39 LEU . 26712 2 41 40 LEU . 26712 2 42 41 LYS . 26712 2 43 42 ASN . 26712 2 44 43 GLY . 26712 2 45 44 GLU . 26712 2 46 45 ARG . 26712 2 47 46 ILE . 26712 2 48 47 GLU . 26712 2 49 48 LYS . 26712 2 50 49 VAL . 26712 2 51 50 GLU . 26712 2 52 51 HIS . 26712 2 53 52 SER . 26712 2 54 53 ASP . 26712 2 55 54 LEU . 26712 2 56 55 SER . 26712 2 57 56 PHE . 26712 2 58 57 SER . 26712 2 59 58 LYS . 26712 2 60 59 ASP . 26712 2 61 60 TRP . 26712 2 62 61 SER . 26712 2 63 62 PHE . 26712 2 64 63 TYR . 26712 2 65 64 LEU . 26712 2 66 65 LEU . 26712 2 67 66 TYR . 26712 2 68 67 TYR . 26712 2 69 68 THR . 26712 2 70 69 GLU . 26712 2 71 70 PHE . 26712 2 72 71 THR . 26712 2 73 72 PRO . 26712 2 74 73 THR . 26712 2 75 74 GLU . 26712 2 76 75 LYS . 26712 2 77 76 ASP . 26712 2 78 77 GLU . 26712 2 79 78 TYR . 26712 2 80 79 ALA . 26712 2 81 80 CYS . 26712 2 82 81 ARG . 26712 2 83 82 VAL . 26712 2 84 83 ASN . 26712 2 85 84 HIS . 26712 2 86 85 VAL . 26712 2 87 86 THR . 26712 2 88 87 LEU . 26712 2 89 88 SER . 26712 2 90 89 GLN . 26712 2 91 90 PRO . 26712 2 92 91 LYS . 26712 2 93 92 ILE . 26712 2 94 93 VAL . 26712 2 95 94 LYS . 26712 2 96 95 TRP . 26712 2 97 96 ASP . 26712 2 98 97 ARG . 26712 2 99 98 ASP . 26712 2 100 99 MET . 26712 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 26712 2 . ILE 2 2 26712 2 . GLN 3 3 26712 2 . ARG 4 4 26712 2 . THR 5 5 26712 2 . PRO 6 6 26712 2 . LYS 7 7 26712 2 . ILE 8 8 26712 2 . GLN 9 9 26712 2 . VAL 10 10 26712 2 . TYR 11 11 26712 2 . SER 12 12 26712 2 . ARG 13 13 26712 2 . HIS 14 14 26712 2 . PRO 15 15 26712 2 . ALA 16 16 26712 2 . GLU 17 17 26712 2 . ASN 18 18 26712 2 . GLY 19 19 26712 2 . LYS 20 20 26712 2 . SER 21 21 26712 2 . ASN 22 22 26712 2 . PHE 23 23 26712 2 . LEU 24 24 26712 2 . ASN 25 25 26712 2 . CYS 26 26 26712 2 . TYR 27 27 26712 2 . VAL 28 28 26712 2 . SER 29 29 26712 2 . GLY 30 30 26712 2 . PHE 31 31 26712 2 . HIS 32 32 26712 2 . PRO 33 33 26712 2 . SER 34 34 26712 2 . ASP 35 35 26712 2 . ILE 36 36 26712 2 . GLU 37 37 26712 2 . VAL 38 38 26712 2 . ASP 39 39 26712 2 . LEU 40 40 26712 2 . LEU 41 41 26712 2 . LYS 42 42 26712 2 . ASN 43 43 26712 2 . GLY 44 44 26712 2 . GLU 45 45 26712 2 . ARG 46 46 26712 2 . ILE 47 47 26712 2 . GLU 48 48 26712 2 . LYS 49 49 26712 2 . VAL 50 50 26712 2 . GLU 51 51 26712 2 . HIS 52 52 26712 2 . SER 53 53 26712 2 . ASP 54 54 26712 2 . LEU 55 55 26712 2 . SER 56 56 26712 2 . PHE 57 57 26712 2 . SER 58 58 26712 2 . LYS 59 59 26712 2 . ASP 60 60 26712 2 . TRP 61 61 26712 2 . SER 62 62 26712 2 . PHE 63 63 26712 2 . TYR 64 64 26712 2 . LEU 65 65 26712 2 . LEU 66 66 26712 2 . TYR 67 67 26712 2 . TYR 68 68 26712 2 . THR 69 69 26712 2 . GLU 70 70 26712 2 . PHE 71 71 26712 2 . THR 72 72 26712 2 . PRO 73 73 26712 2 . THR 74 74 26712 2 . GLU 75 75 26712 2 . LYS 76 76 26712 2 . ASP 77 77 26712 2 . GLU 78 78 26712 2 . TYR 79 79 26712 2 . ALA 80 80 26712 2 . CYS 81 81 26712 2 . ARG 82 82 26712 2 . VAL 83 83 26712 2 . ASN 84 84 26712 2 . HIS 85 85 26712 2 . VAL 86 86 26712 2 . THR 87 87 26712 2 . LEU 88 88 26712 2 . SER 89 89 26712 2 . GLN 90 90 26712 2 . PRO 91 91 26712 2 . LYS 92 92 26712 2 . ILE 93 93 26712 2 . VAL 94 94 26712 2 . LYS 95 95 26712 2 . TRP 96 96 26712 2 . ASP 97 97 26712 2 . ARG 98 98 26712 2 . ASP 99 99 26712 2 . MET 100 100 26712 2 stop_ save_ save_1of2-hkca_mol3 _Entity.Sf_category entity _Entity.Sf_framecode 1of2-hkca_mol3 _Entity.Entry_ID 26712 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 1of2-hkca_mol3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RRKWRRWHL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This antigen is derived from vasoactive intestinal peptide type 1 receptor.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment pVIPR _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . 26712 3 2 . ARG . 26712 3 3 . LYS . 26712 3 4 . TRP . 26712 3 5 . ARG . 26712 3 6 . ARG . 26712 3 7 . TRP . 26712 3 8 . HIS . 26712 3 9 . LEU . 26712 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 26712 3 . ARG 2 2 26712 3 . LYS 3 3 26712 3 . TRP 4 4 26712 3 . ARG 5 5 26712 3 . ARG 6 6 26712 3 . TRP 7 7 26712 3 . HIS 8 8 26712 3 . LEU 9 9 26712 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 26712 _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 $1of2-hkca_mol1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26712 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 26712 _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 $1of2-hkca_mol1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) Rosetta2 . . . . 'pET 46 Ek/LIC' . . . 26712 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26712 _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 1of2-hkca_mol1 '[U-2H; U-15N]' . . 1 $1of2-hkca_mol1 . . 0.330 . . mM . . . . 26712 1 2 1of2-hkca_mol2 'natural abundance' . . 2 $1of2-hkca_mol2 . . 0.330 . . mM . . . . 26712 1 3 1of2-hkca_mol3 'natural abundance' . . 3 $1of2-hkca_mol3 . . 0.330 . . mM . . . . 26712 1 4 D2O [U-2H] . . . . . . 10 . . % . . . . 26712 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26712 1 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26712 1 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26712 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26712 _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 1of2-hkca_mol1 [U-2H] . . 1 $1of2-hkca_mol1 . . 0.330 . . mM . . . . 26712 2 2 1of2-hkca_mol2 [U-15N] . . 2 $1of2-hkca_mol2 . . 0.330 . . mM . . . . 26712 2 3 1of2-hkca_mol3 'natural abundance' . . 3 $1of2-hkca_mol3 . . 0.330 . . mM . . . . 26712 2 4 D2O [U-2H] . . . . . . 10 . . % . . . . 26712 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26712 2 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26712 2 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26712 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 26712 _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 26712 1 pH 7.5 . pH 26712 1 pressure 1 . atm 26712 1 temperature 310 . K 26712 1 stop_ save_ ############################ # Computer software used # ############################ save_relax _Software.Sf_category software _Software.Sf_framecode relax _Software.Entry_ID 26712 _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 26712 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 26712 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 26712 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26712 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _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 26712 _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 . . . 26712 1 2 spectrometer_2 Bruker Avance 750 750 . . . 26712 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 26712 _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 . . . . . . . . . . . . . . . . 26712 1 2 '600.18 MHz R2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26712 1 3 '600.18 MHz steady-state NOE' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26712 1 4 '750.46 MHz R1' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26712 1 5 '750.46 MHz R2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26712 1 6 '750.46 MHz steady-state NOE' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26712 1 7 '600.18 MHz R1' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26712 1 8 '600.18 MHz R2' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26712 1 9 '600.18 MHz steady-state NOE' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26712 1 10 '750.46 MHz R1' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26712 1 11 '750.46 MHz R2' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26712 1 12 '750.46 MHz steady-state NOE' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26712 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 26712 _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 7 '600.18 MHz R1' 2 $sample_2 . 26712 1 8 '600.18 MHz R2' 2 $sample_2 . 26712 1 9 '600.18 MHz steady-state NOE' 2 $sample_2 . 26712 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 . . 26712 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 . . . . . . . . . . . . . 26712 1 2 . 2 2 8 8 ILE N N 15 -172.0 . . . . . . . . . . . . . 26712 1 3 . 2 2 9 9 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 1 4 . 2 2 12 12 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 1 5 . 2 2 13 13 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 1 6 . 2 2 14 14 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 7 . 2 2 17 17 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 8 . 2 2 19 19 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 1 9 . 2 2 20 20 LYS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 10 . 2 2 23 23 PHE N N 15 -172.0 . . . . . . . . . . . . . 26712 1 11 . 2 2 25 25 ASN N N 15 -172.0 . . . . . . . . . . . . . 26712 1 12 . 2 2 26 26 CYS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 13 . 2 2 27 27 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 1 14 . 2 2 29 29 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 1 15 . 2 2 30 30 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 1 16 . 2 2 31 31 PHE N N 15 -172.0 . . . . . . . . . . . . . 26712 1 17 . 2 2 34 34 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 1 18 . 2 2 35 35 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 1 19 . 2 2 37 37 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 20 . 2 2 38 38 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 1 21 . 2 2 40 40 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 22 . 2 2 41 41 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 23 . 2 2 43 43 ASN N N 15 -172.0 . . . . . . . . . . . . . 26712 1 24 . 2 2 44 44 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 1 25 . 2 2 45 45 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 26 . 2 2 46 46 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 1 27 . 2 2 47 47 ILE N N 15 -172.0 . . . . . . . . . . . . . 26712 1 28 . 2 2 48 48 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 29 . 2 2 49 49 LYS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 30 . 2 2 51 51 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 31 . 2 2 52 52 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 32 . 2 2 53 53 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 1 33 . 2 2 54 54 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 1 34 . 2 2 55 55 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 35 . 2 2 56 56 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 1 36 . 2 2 57 57 PHE N N 15 -172.0 . . . . . . . . . . . . . 26712 1 37 . 2 2 58 58 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 1 38 . 2 2 60 60 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 1 39 . 2 2 61 61 TRP N N 15 -172.0 . . . . . . . . . . . . . 26712 1 40 . 2 2 61 61 TRP NE1 N 15 -172.0 . . . . . . . . . . . . . 26712 1 41 . 2 2 62 62 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 1 42 . 2 2 63 63 PHE N N 15 -172.0 . . . . . . . . . . . . . 26712 1 43 . 2 2 64 64 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 1 44 . 2 2 65 65 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 45 . 2 2 66 66 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 46 . 2 2 67 67 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 1 47 . 2 2 68 68 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 1 48 . 2 2 69 69 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 1 49 . 2 2 70 70 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 50 . 2 2 71 71 PHE N N 15 -172.0 . . . . . . . . . . . . . 26712 1 51 . 2 2 72 72 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 1 52 . 2 2 74 74 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 1 53 . 2 2 75 75 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 54 . 2 2 76 76 LYS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 55 . 2 2 77 77 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 1 56 . 2 2 79 79 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 1 57 . 2 2 81 81 CYS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 58 . 2 2 82 82 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 1 59 . 2 2 83 83 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 1 60 . 2 2 84 84 ASN N N 15 -172.0 . . . . . . . . . . . . . 26712 1 61 . 2 2 85 85 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 62 . 2 2 86 86 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 1 63 . 2 2 87 87 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 1 64 . 2 2 88 88 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 1 65 . 2 2 90 90 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 1 66 . 2 2 92 92 LYS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 67 . 2 2 93 93 ILE N N 15 -172.0 . . . . . . . . . . . . . 26712 1 68 . 2 2 94 94 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 1 69 . 2 2 95 95 LYS N N 15 -172.0 . . . . . . . . . . . . . 26712 1 70 . 2 2 96 96 TRP N N 15 -172.0 . . . . . . . . . . . . . 26712 1 71 . 2 2 96 96 TRP NE1 N 15 -172.0 . . . . . . . . . . . . . 26712 1 72 . 2 2 97 97 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 1 73 . 2 2 98 98 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 1 74 . 2 2 99 99 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 1 75 . 2 2 100 100 MET N N 15 -172.0 . . . . . . . . . . . . . 26712 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 26712 _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 7 '600.18 MHz R1' 2 $sample_2 . 26712 2 8 '600.18 MHz R2' 2 $sample_2 . 26712 2 9 '600.18 MHz steady-state NOE' 2 $sample_2 . 26712 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 . . 26712 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 . . . . . . . . . . . . . 26712 2 2 . 1 1 203 203 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 2 3 . 1 1 205 205 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 2 4 . 1 1 206 206 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 2 5 . 1 1 209 209 ILE N N 15 -172.0 . . . . . . . . . . . . . 26712 2 6 . 1 1 210 210 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 2 7 . 1 1 212 212 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 2 8 . 1 1 213 213 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 2 9 . 1 1 214 214 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 2 10 . 1 1 215 215 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 2 11 . 1 1 218 218 CYS N N 15 -172.0 . . . . . . . . . . . . . 26712 2 12 . 1 1 219 219 TRP N N 15 -172.0 . . . . . . . . . . . . . 26712 2 13 . 1 1 220 220 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 2 14 . 1 1 222 222 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 2 15 . 1 1 223 223 PHE N N 15 -172.0 . . . . . . . . . . . . . 26712 2 16 . 1 1 224 224 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 2 17 . 1 1 228 228 ILE N N 15 -172.0 . . . . . . . . . . . . . 26712 2 18 . 1 1 229 229 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 2 19 . 1 1 231 231 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 2 20 . 1 1 233 233 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 2 21 . 1 1 234 234 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 2 22 . 1 1 235 235 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 2 23 . 1 1 236 236 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 2 24 . 1 1 237 237 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 2 25 . 1 1 242 242 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 2 26 . 1 1 243 243 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 2 27 . 1 1 244 244 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 2 28 . 1 1 245 245 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 2 29 . 1 1 246 246 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 2 30 . 1 1 247 247 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 2 31 . 1 1 249 249 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 2 32 . 1 1 251 251 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 2 33 . 1 1 252 252 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 2 34 . 1 1 253 253 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 2 35 . 1 1 254 254 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 2 36 . 1 1 255 255 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 2 37 . 1 1 256 256 PHE N N 15 -172.0 . . . . . . . . . . . . . 26712 2 38 . 1 1 257 257 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 2 39 . 1 1 259 259 TRP N N 15 -172.0 . . . . . . . . . . . . . 26712 2 40 . 1 1 260 260 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 2 41 . 1 1 261 261 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 2 42 . 1 1 263 263 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 2 43 . 1 1 267 267 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 2 44 . 1 1 269 269 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 2 45 . 1 1 270 270 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 2 46 . 1 1 272 272 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 2 47 . 1 1 273 273 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 2 48 . 1 1 275 275 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 2 49 . 1 1 276 276 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 2 50 . 1 1 277 277 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 2 51 . 1 1 278 278 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 2 52 . 1 1 279 279 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 2 53 . 1 1 280 280 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 2 54 . 1 1 287 287 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 2 55 . 1 1 288 288 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 2 56 . 1 1 289 289 TRP N N 15 -172.0 . . . . . . . . . . . . . 26712 2 57 . 1 1 290 290 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 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 26712 _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 7 '600.18 MHz R1' 2 $sample_2 . 26712 3 8 '600.18 MHz R2' 2 $sample_2 . 26712 3 9 '600.18 MHz steady-state NOE' 2 $sample_2 . 26712 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 . . 26712 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 19 19 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 3 2 . 1 1 21 21 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 3 . 1 1 22 22 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 4 . 1 1 27 27 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 3 5 . 1 1 28 28 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 3 6 . 1 1 31 31 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 7 . 1 1 33 33 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 8 . 1 1 34 34 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 9 . 1 1 36 36 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 10 . 1 1 37 37 PHE N N 15 -172.0 . . . . . . . . . . . . . 26712 3 11 . 1 1 38 38 ILE N N 15 -172.0 . . . . . . . . . . . . . 26712 3 12 . 1 1 39 39 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 13 . 1 1 41 41 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 14 . 1 1 44 44 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 15 . 1 1 45 45 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 16 . 1 1 46 46 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 17 . 1 1 47 47 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 18 . 1 1 49 49 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 3 19 . 1 1 50 50 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 20 . 1 1 51 51 PHE N N 15 -172.0 . . . . . . . . . . . . . 26712 3 21 . 1 1 52 52 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 22 . 1 1 53 53 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 3 23 . 1 1 54 54 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 24 . 1 1 55 55 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 25 . 1 1 56 56 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 26 . 1 1 57 57 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 3 27 . 1 1 64 64 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 28 . 1 1 66 66 TRP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 29 . 1 1 67 67 ILE N N 15 -172.0 . . . . . . . . . . . . . 26712 3 30 . 1 1 68 68 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 31 . 1 1 69 69 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 3 32 . 1 1 70 70 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 33 . 1 1 74 74 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 34 . 1 1 75 75 TRP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 35 . 1 1 77 77 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 36 . 1 1 79 79 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 37 . 1 1 82 82 CYS N N 15 -172.0 . . . . . . . . . . . . . 26712 3 38 . 1 1 83 83 LYS N N 15 -172.0 . . . . . . . . . . . . . 26712 3 39 . 1 1 84 84 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 40 . 1 1 85 85 LYS N N 15 -172.0 . . . . . . . . . . . . . 26712 3 41 . 1 1 86 86 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 42 . 1 1 87 87 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 3 43 . 1 1 88 88 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 44 . 1 1 90 90 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 45 . 1 1 91 91 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 46 . 1 1 92 92 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 47 . 1 1 93 93 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 48 . 1 1 94 94 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 49 . 1 1 97 97 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 50 . 1 1 98 98 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 51 . 1 1 99 99 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 52 . 1 1 100 100 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 53 . 1 1 102 102 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 3 54 . 1 1 106 106 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 55 . 1 1 107 107 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 3 56 . 1 1 108 108 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 3 57 . 1 1 109 109 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 58 . 1 1 110 110 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 59 . 1 1 113 113 MET N N 15 -172.0 . . . . . . . . . . . . . 26712 3 60 . 1 1 115 115 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 61 . 1 1 116 116 CYS N N 15 -172.0 . . . . . . . . . . . . . 26712 3 62 . 1 1 117 117 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 63 . 1 1 118 118 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 3 64 . 1 1 119 119 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 65 . 1 1 121 121 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 66 . 1 1 122 122 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 67 . 1 1 123 123 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 68 . 1 1 125 125 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 69 . 1 1 126 126 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 70 . 1 1 127 127 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 71 . 1 1 128 128 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 72 . 1 1 129 129 HIS N N 15 -172.0 . . . . . . . . . . . . . 26712 3 73 . 1 1 130 130 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 3 74 . 1 1 132 132 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 75 . 1 1 134 134 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 76 . 1 1 135 135 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 77 . 1 1 139 139 ILE N N 15 -172.0 . . . . . . . . . . . . . 26712 3 78 . 1 1 140 140 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 79 . 1 1 141 141 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 80 . 1 1 143 143 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 81 . 1 1 144 144 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 82 . 1 1 145 145 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 83 . 1 1 146 146 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 3 84 . 1 1 147 147 SER N N 15 -172.0 . . . . . . . . . . . . . 26712 3 85 . 1 1 149 149 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 86 . 1 1 150 150 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 87 . 1 1 151 151 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 88 . 1 1 152 152 ASP N N 15 -172.0 . . . . . . . . . . . . . 26712 3 89 . 1 1 153 153 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 90 . 1 1 154 154 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 91 . 1 1 155 155 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 92 . 1 1 156 156 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 3 93 . 1 1 157 157 ILE N N 15 -172.0 . . . . . . . . . . . . . 26712 3 94 . 1 1 158 158 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 95 . 1 1 160 160 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 96 . 1 1 161 161 LYS N N 15 -172.0 . . . . . . . . . . . . . 26712 3 97 . 1 1 163 163 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 98 . 1 1 164 164 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 99 . 1 1 165 165 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 100 . 1 1 167 167 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 3 101 . 1 1 168 168 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 102 . 1 1 170 170 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 3 103 . 1 1 172 172 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 104 . 1 1 173 173 ALA N N 15 -172.0 . . . . . . . . . . . . . 26712 3 105 . 1 1 174 174 TYR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 106 . 1 1 175 175 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 107 . 1 1 176 176 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 108 . 1 1 177 177 GLY N N 15 -172.0 . . . . . . . . . . . . . 26712 3 109 . 1 1 178 178 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 110 . 1 1 179 179 CYS N N 15 -172.0 . . . . . . . . . . . . . 26712 3 111 . 1 1 180 180 VAL N N 15 -172.0 . . . . . . . . . . . . . 26712 3 112 . 1 1 181 181 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 113 . 1 1 185 185 ARG N N 15 -172.0 . . . . . . . . . . . . . 26712 3 114 . 1 1 187 187 LEU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 115 . 1 1 188 188 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 116 . 1 1 191 191 LYS N N 15 -172.0 . . . . . . . . . . . . . 26712 3 117 . 1 1 192 192 GLU N N 15 -172.0 . . . . . . . . . . . . . 26712 3 118 . 1 1 193 193 THR N N 15 -172.0 . . . . . . . . . . . . . 26712 3 119 . 1 1 195 195 GLN N N 15 -172.0 . . . . . . . . . . . . . 26712 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_heteronuclear_NOE_bn _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_heteronuclear_NOE_bn _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 1 '600.18 MHz R1' 1 $sample_1 . 26712 1 9 '600.18 MHz steady-state NOE' 1 $sample_1 . 26712 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 . . 26712 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 0.257901266985 0.081028160651 . . . . . . . . . . 26712 1 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.240506349366 0.123417269845 . . . . . . . . . . 26712 1 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.552533601262 0.127355696404 . . . . . . . . . . 26712 1 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.681190079878 0.129824125774 . . . . . . . . . . 26712 1 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.721761119471 0.163993094521 . . . . . . . . . . 26712 1 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.851290737658 0.13018835702 . . . . . . . . . . 26712 1 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.825448295728 0.156500133179 . . . . . . . . . . 26712 1 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.709291656363 0.130300384191 . . . . . . . . . . 26712 1 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.777974766795 0.0708964164572 . . . . . . . . . . 26712 1 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.772351814006 0.128512602669 . . . . . . . . . . 26712 1 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.766751387741 0.154822764793 . . . . . . . . . . 26712 1 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 1.14433196229 0.174309391382 . . . . . . . . . . 26712 1 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 1.1611460644 0.264047536864 . . . . . . . . . . 26712 1 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.800964324259 0.185941417426 . . . . . . . . . . 26712 1 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.612693833393 0.141921236717 . . . . . . . . . . 26712 1 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.679489844392 0.0919419681607 . . . . . . . . . . 26712 1 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 1.10447531738 0.312346597805 . . . . . . . . . . 26712 1 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.682798431984 0.0600337689001 . . . . . . . . . . 26712 1 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.720872485282 0.136817632686 . . . . . . . . . . 26712 1 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.793353596978 0.0946863508145 . . . . . . . . . . 26712 1 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.659230901755 0.13032507967 . . . . . . . . . . 26712 1 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 1.07752864415 0.249199817361 . . . . . . . . . . 26712 1 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.848448333248 0.120356753636 . . . . . . . . . . 26712 1 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.866537300561 0.171521675591 . . . . . . . . . . 26712 1 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.747753337639 0.0687658380363 . . . . . . . . . . 26712 1 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.636255632375 0.110847349957 . . . . . . . . . . 26712 1 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 1.05780221863 0.20086027119 . . . . . . . . . . 26712 1 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.954920302413 0.157990312075 . . . . . . . . . . 26712 1 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.374538989518 0.0770700315272 . . . . . . . . . . 26712 1 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.53250106566 0.0894319568649 . . . . . . . . . . 26712 1 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.895961258188 0.0887585360741 . . . . . . . . . . 26712 1 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.802746433397 0.199539251304 . . . . . . . . . . 26712 1 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 1.06574798746 0.34776332415 . . . . . . . . . . 26712 1 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 1.11323258587 0.272404923939 . . . . . . . . . . 26712 1 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.507165697551 0.158786321165 . . . . . . . . . . 26712 1 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 -1.02903633966 0.10434264699 . . . . . . . . . . 26712 1 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.885855844625 0.256219605031 . . . . . . . . . . 26712 1 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.778798274691 0.132759199372 . . . . . . . . . . 26712 1 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.709280548593 0.139438106069 . . . . . . . . . . 26712 1 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.937838548886 0.126260318875 . . . . . . . . . . 26712 1 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.951397417004 0.151343207185 . . . . . . . . . . 26712 1 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.394825106992 0.137704777856 . . . . . . . . . . 26712 1 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 1.14120603517 0.267334733224 . . . . . . . . . . 26712 1 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.715859583738 0.15696878918 . . . . . . . . . . 26712 1 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.68364888658 0.144565155518 . . . . . . . . . . 26712 1 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 1.07529716205 0.228909838588 . . . . . . . . . . 26712 1 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.927994303447 0.134424238976 . . . . . . . . . . 26712 1 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.809995740358 0.158583483193 . . . . . . . . . . 26712 1 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.764505409886 0.0828216067684 . . . . . . . . . . 26712 1 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.696475809292 0.13843492053 . . . . . . . . . . 26712 1 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.675283934983 0.119258793607 . . . . . . . . . . 26712 1 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.717220707528 0.100435099547 . . . . . . . . . . 26712 1 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 -0.760594571268 0.404606026787 . . . . . . . . . . 26712 1 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.640703660293 0.108215627093 . . . . . . . . . . 26712 1 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.774055298012 0.0780634737803 . . . . . . . . . . 26712 1 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.761150718116 0.115785728918 . . . . . . . . . . 26712 1 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 1.04431593541 0.156162156166 . . . . . . . . . . 26712 1 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 1.09100794126 0.196010517389 . . . . . . . . . . 26712 1 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.747115026796 0.17820513738 . . . . . . . . . . 26712 1 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 1.14098438764 0.188249540691 . . . . . . . . . . 26712 1 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.612360098268 0.0711526743895 . . . . . . . . . . 26712 1 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.720457068205 0.13447791694 . . . . . . . . . . 26712 1 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.904162212272 0.175121074369 . . . . . . . . . . 26712 1 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.820040082288 0.0895473167804 . . . . . . . . . . 26712 1 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.687839013636 0.0505528380444 . . . . . . . . . . 26712 1 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.563238322763 0.109412904251 . . . . . . . . . . 26712 1 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.863150227177 0.0965778136766 . . . . . . . . . . 26712 1 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.866401074901 0.154187396075 . . . . . . . . . . 26712 1 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.836504603099 0.114095766123 . . . . . . . . . . 26712 1 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.862952076759 0.180912755005 . . . . . . . . . . 26712 1 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.681907702185 0.114954008564 . . . . . . . . . . 26712 1 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.568182814842 0.127152903735 . . . . . . . . . . 26712 1 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 1.19849572992 0.215189748312 . . . . . . . . . . 26712 1 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.632187276515 0.0743475718851 . . . . . . . . . . 26712 1 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.607598594539 0.0748069258495 . . . . . . . . . . 26712 1 stop_ save_ save_750.46_MHz_heteronuclear_NOE_bn _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_heteronuclear_NOE_bn _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 . 26712 2 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26712 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 . . 26712 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 0.364472126555 0.0914698069787 . . . . . . . . . . 26712 2 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.767015871186 0.173451298541 . . . . . . . . . . 26712 2 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.616232170716 0.144083132851 . . . . . . . . . . 26712 2 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.755427799144 0.148252348708 . . . . . . . . . . 26712 2 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.941193923433 0.252678649501 . . . . . . . . . . 26712 2 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.616945182386 0.101843009898 . . . . . . . . . . 26712 2 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.751974957831 0.197930575969 . . . . . . . . . . 26712 2 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.894292816217 0.203721199168 . . . . . . . . . . 26712 2 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.791299348933 0.0796828322939 . . . . . . . . . . 26712 2 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.844584766976 0.194021565091 . . . . . . . . . . 26712 2 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.69633502526 0.165322570422 . . . . . . . . . . 26712 2 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 1.09942535579 0.183859143845 . . . . . . . . . . 26712 2 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.775613462676 0.227264798922 . . . . . . . . . . 26712 2 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.885677495063 0.198425801086 . . . . . . . . . . 26712 2 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 1.09880358379 0.223625307265 . . . . . . . . . . 26712 2 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.828887698749 0.144545382994 . . . . . . . . . . 26712 2 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 1.1651963155 0.464106958609 . . . . . . . . . . 26712 2 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.659974662756 0.0648325716787 . . . . . . . . . . 26712 2 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.692112547514 0.1171420349 . . . . . . . . . . 26712 2 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.520444126483 0.0969501810247 . . . . . . . . . . 26712 2 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.686067567815 0.136505451521 . . . . . . . . . . 26712 2 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.775164157441 0.152406602463 . . . . . . . . . . 26712 2 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.487543037597 0.0991050727436 . . . . . . . . . . 26712 2 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.850305638723 0.16375230064 . . . . . . . . . . 26712 2 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.644084825322 0.073768892932 . . . . . . . . . . 26712 2 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.951758976676 0.173830872638 . . . . . . . . . . 26712 2 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.779348088317 0.149659039822 . . . . . . . . . . 26712 2 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.879452671636 0.142352359897 . . . . . . . . . . 26712 2 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.3889960475 0.0746492859295 . . . . . . . . . . 26712 2 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.425088643459 0.104094578479 . . . . . . . . . . 26712 2 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.907135366002 0.102607165762 . . . . . . . . . . 26712 2 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.920777075962 0.179508477799 . . . . . . . . . . 26712 2 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.633269871794 0.242148047809 . . . . . . . . . . 26712 2 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.860949146783 0.216084758929 . . . . . . . . . . 26712 2 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.718607633093 0.177287261244 . . . . . . . . . . 26712 2 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 -0.898730149179 0.10970362673 . . . . . . . . . . 26712 2 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.743435849741 0.175095189319 . . . . . . . . . . 26712 2 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.663541349047 0.129821344765 . . . . . . . . . . 26712 2 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.78428992088 0.205546156835 . . . . . . . . . . 26712 2 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.84220779413 0.15482949442 . . . . . . . . . . 26712 2 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 1.09918610171 0.203376851023 . . . . . . . . . . 26712 2 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.641747232795 0.14601237201 . . . . . . . . . . 26712 2 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.555888406451 0.143368117519 . . . . . . . . . . 26712 2 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.563341909625 0.14270291965 . . . . . . . . . . 26712 2 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.71029892114 0.183890097374 . . . . . . . . . . 26712 2 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.882622041467 0.191427140828 . . . . . . . . . . 26712 2 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.719350342651 0.134332047316 . . . . . . . . . . 26712 2 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.809971321688 0.138709785977 . . . . . . . . . . 26712 2 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.789888291384 0.099849320974 . . . . . . . . . . 26712 2 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.605441216755 0.130040691775 . . . . . . . . . . 26712 2 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.792857730932 0.132369340552 . . . . . . . . . . 26712 2 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.605568819888 0.0964365938101 . . . . . . . . . . 26712 2 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.807452097677 0.262972922825 . . . . . . . . . . 26712 2 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.365036068041 0.0880263018341 . . . . . . . . . . 26712 2 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.494746699504 0.0687365377923 . . . . . . . . . . 26712 2 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.780999999242 0.15395991847 . . . . . . . . . . 26712 2 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.698389792802 0.130380726331 . . . . . . . . . . 26712 2 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.849121062094 0.16009767929 . . . . . . . . . . 26712 2 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 1.05796338995 0.271106079228 . . . . . . . . . . 26712 2 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.752199102605 0.127859798812 . . . . . . . . . . 26712 2 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.699256607217 0.0856824827297 . . . . . . . . . . 26712 2 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 1.08610483704 0.189802328735 . . . . . . . . . . 26712 2 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.778376186724 0.172345728597 . . . . . . . . . . 26712 2 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.649777424891 0.0960091260432 . . . . . . . . . . 26712 2 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.739237522287 0.0569517124032 . . . . . . . . . . 26712 2 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.693650333396 0.113835242486 . . . . . . . . . . 26712 2 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.710354400478 0.0886790298632 . . . . . . . . . . 26712 2 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.630775625918 0.145891445256 . . . . . . . . . . 26712 2 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.682003359818 0.132469297567 . . . . . . . . . . 26712 2 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.520383691139 0.143425012622 . . . . . . . . . . 26712 2 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.648476655803 0.121366687602 . . . . . . . . . . 26712 2 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.826884130509 0.133565179576 . . . . . . . . . . 26712 2 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.734852727361 0.172660410554 . . . . . . . . . . 26712 2 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.593447988761 0.0858684701642 . . . . . . . . . . 26712 2 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.672696185649 0.0757765063595 . . . . . . . . . . 26712 2 stop_ save_ save_600.18_MHz_heteronuclear_NOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_heteronuclear_NOE_bottom _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 1 '600.18 MHz R1' 1 $sample_1 . 26712 3 9 '600.18 MHz steady-state NOE' 1 $sample_1 . 26712 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 . . 26712 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 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.759044422971 0.0309479749491 . . . . . . . . . . 26712 3 2 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.838597880047 0.0395650002688 . . . . . . . . . . 26712 3 3 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.776047625738 0.0307512404327 . . . . . . . . . . 26712 3 4 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.692033960519 0.0280865627479 . . . . . . . . . . 26712 3 5 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.713270188988 0.0530900987763 . . . . . . . . . . 26712 3 6 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.598373539744 0.0406507557517 . . . . . . . . . . 26712 3 7 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.76114468738 0.0717436863827 . . . . . . . . . . 26712 3 8 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.687145943101 0.0335008554861 . . . . . . . . . . 26712 3 9 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.799625719532 0.0279741038656 . . . . . . . . . . 26712 3 10 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.751914628288 0.0323552391629 . . . . . . . . . . 26712 3 11 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.823882068904 0.0347785243083 . . . . . . . . . . 26712 3 12 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.848555778458 0.0299809287605 . . . . . . . . . . 26712 3 13 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.866916546898 0.0309569925515 . . . . . . . . . . 26712 3 14 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.638490747979 0.034188782795 . . . . . . . . . . 26712 3 15 . 1 1 223 223 PHE N N 15 . 1 1 223 223 PHE H H 1 0.869656547339 0.0383554857139 . . . . . . . . . . 26712 3 16 . 1 1 224 224 TYR N N 15 . 1 1 224 224 TYR H H 1 0.766256839734 0.0344370528133 . . . . . . . . . . 26712 3 17 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.774506448507 0.0276956851142 . . . . . . . . . . 26712 3 18 . 1 1 229 229 THR N N 15 . 1 1 229 229 THR H H 1 0.177390414364 0.0170469771281 . . . . . . . . . . 26712 3 19 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.794866268762 0.036398479912 . . . . . . . . . . 26712 3 20 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.809303163733 0.0317279715175 . . . . . . . . . . 26712 3 21 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.65263124925 0.030480014635 . . . . . . . . . . 26712 3 22 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.693047581602 0.0271958174864 . . . . . . . . . . 26712 3 23 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.736117566322 0.05045717346 . . . . . . . . . . 26712 3 24 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.710458618602 0.0281199488268 . . . . . . . . . . 26712 3 25 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.502554540508 0.0466205458328 . . . . . . . . . . 26712 3 26 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.521018784107 0.0331580301247 . . . . . . . . . . 26712 3 27 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.756835664509 0.0345802856685 . . . . . . . . . . 26712 3 28 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.782035802776 0.0287097641789 . . . . . . . . . . 26712 3 29 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.565306326685 0.0298676935476 . . . . . . . . . . 26712 3 30 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.750598185796 0.0325252884451 . . . . . . . . . . 26712 3 31 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.801501285088 0.0385099794659 . . . . . . . . . . 26712 3 32 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.816763155821 0.0439526353289 . . . . . . . . . . 26712 3 33 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.819049180214 0.0700600737658 . . . . . . . . . . 26712 3 34 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.659193980813 0.0672550171192 . . . . . . . . . . 26712 3 35 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.617127687616 0.0824518334212 . . . . . . . . . . 26712 3 36 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.750247726873 0.0738398165675 . . . . . . . . . . 26712 3 37 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.796986435962 0.0393185088687 . . . . . . . . . . 26712 3 38 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.805702347503 0.0374997129247 . . . . . . . . . . 26712 3 39 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.839423661412 0.0365046968075 . . . . . . . . . . 26712 3 40 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.820469362792 0.0331720616048 . . . . . . . . . . 26712 3 41 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.85854533071 0.0350373861384 . . . . . . . . . . 26712 3 42 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.674337718677 0.0252686671741 . . . . . . . . . . 26712 3 43 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.748103287692 0.0272448757742 . . . . . . . . . . 26712 3 44 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.724432704634 0.0336211593948 . . . . . . . . . . 26712 3 45 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.73129851045 0.0310776789131 . . . . . . . . . . 26712 3 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.691892133724 0.0327667244186 . . . . . . . . . . 26712 3 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.762114615202 0.0286628419867 . . . . . . . . . . 26712 3 48 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.822648875542 0.0308380498506 . . . . . . . . . . 26712 3 49 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.851381772446 0.0329079835091 . . . . . . . . . . 26712 3 50 . 1 1 277 277 GLN N N 15 . 1 1 277 277 GLN H H 1 0.777653421295 0.0269373858784 . . . . . . . . . . 26712 3 51 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.720142810608 0.02548139223 . . . . . . . . . . 26712 3 52 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.763162171036 0.0311197434598 . . . . . . . . . . 26712 3 53 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.802471403571 0.0437941624206 . . . . . . . . . . 26712 3 54 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.722514805232 0.0315140196825 . . . . . . . . . . 26712 3 55 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.707788528311 0.0263709459098 . . . . . . . . . . 26712 3 56 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.651487655973 0.023885740284 . . . . . . . . . . 26712 3 57 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.24170986372 0.0157897409609 . . . . . . . . . . 26712 3 stop_ save_ save_750.46_MHz_heteronuclear_NOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_heteronuclear_NOE_bottom _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 R1' 1 $sample_1 . 26712 4 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26712 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 . . 26712 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 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.815970888058 0.0378841803139 . . . . . . . . . . 26712 4 2 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.762366731574 0.0356097419365 . . . . . . . . . . 26712 4 3 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.780122906639 0.0388917844874 . . . . . . . . . . 26712 4 4 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.795169216873 0.0367130972471 . . . . . . . . . . 26712 4 5 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.622619211539 0.0474496744942 . . . . . . . . . . 26712 4 6 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.674190567803 0.0401834481927 . . . . . . . . . . 26712 4 7 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.616440128372 0.0786746834399 . . . . . . . . . . 26712 4 8 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.755048052185 0.0396791583683 . . . . . . . . . . 26712 4 9 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.789670689193 0.0360506796802 . . . . . . . . . . 26712 4 10 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.735938184633 0.0388885411046 . . . . . . . . . . 26712 4 11 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.824880732271 0.0419399201467 . . . . . . . . . . 26712 4 12 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.789649287162 0.0336722612223 . . . . . . . . . . 26712 4 13 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.809921143087 0.0362812857596 . . . . . . . . . . 26712 4 14 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.631581773751 0.0388593771704 . . . . . . . . . . 26712 4 15 . 1 1 223 223 PHE N N 15 . 1 1 223 223 PHE H H 1 0.677004652857 0.0317277585618 . . . . . . . . . . 26712 4 16 . 1 1 224 224 TYR N N 15 . 1 1 224 224 TYR H H 1 0.856181983973 0.0439909372014 . . . . . . . . . . 26712 4 17 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.782598525975 0.0310158425452 . . . . . . . . . . 26712 4 18 . 1 1 229 229 THR N N 15 . 1 1 229 229 THR H H 1 0.621882528304 0.0253180039135 . . . . . . . . . . 26712 4 19 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.736093435661 0.0335740706883 . . . . . . . . . . 26712 4 20 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.732047005502 0.0367260065467 . . . . . . . . . . 26712 4 21 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.754646838934 0.035328854328 . . . . . . . . . . 26712 4 22 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.750706987305 0.0384141665405 . . . . . . . . . . 26712 4 23 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.641902858151 0.0497598930273 . . . . . . . . . . 26712 4 24 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.714001169106 0.0313093387526 . . . . . . . . . . 26712 4 25 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.576422106071 0.0480303471318 . . . . . . . . . . 26712 4 26 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.59357231218 0.0348885562697 . . . . . . . . . . 26712 4 27 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.78293263261 0.0371018749915 . . . . . . . . . . 26712 4 28 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.735193083058 0.0351403319131 . . . . . . . . . . 26712 4 29 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.623397538212 0.0363428209263 . . . . . . . . . . 26712 4 30 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.754179253612 0.0342084212445 . . . . . . . . . . 26712 4 31 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.790995696995 0.0439086593171 . . . . . . . . . . 26712 4 32 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.769495567711 0.0412401685884 . . . . . . . . . . 26712 4 33 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.718213194935 0.0590941309585 . . . . . . . . . . 26712 4 34 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.717646040153 0.0543184283045 . . . . . . . . . . 26712 4 35 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.851854529059 0.0873878106525 . . . . . . . . . . 26712 4 36 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.602077285295 0.0625591368712 . . . . . . . . . . 26712 4 37 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.824235048265 0.0408836047012 . . . . . . . . . . 26712 4 38 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.825195391157 0.0395538645047 . . . . . . . . . . 26712 4 39 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.807274551028 0.0456009469235 . . . . . . . . . . 26712 4 40 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.855164810836 0.038181725562 . . . . . . . . . . 26712 4 41 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.843471765307 0.0538795310601 . . . . . . . . . . 26712 4 42 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.722294341715 0.0319436839772 . . . . . . . . . . 26712 4 43 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.7486221613 0.0342399280478 . . . . . . . . . . 26712 4 44 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.729721623061 0.0430299356856 . . . . . . . . . . 26712 4 45 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.77549055119 0.0433347322353 . . . . . . . . . . 26712 4 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.678778859917 0.0370730645639 . . . . . . . . . . 26712 4 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.713889489072 0.0337418700692 . . . . . . . . . . 26712 4 48 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.840081860257 0.0392649568241 . . . . . . . . . . 26712 4 49 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.810285944418 0.0389718183853 . . . . . . . . . . 26712 4 50 . 1 1 277 277 GLN N N 15 . 1 1 277 277 GLN H H 1 0.8197921233 0.0360326139844 . . . . . . . . . . 26712 4 51 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.751267820995 0.0320396054011 . . . . . . . . . . 26712 4 52 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.804275427253 0.0390963589015 . . . . . . . . . . 26712 4 53 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.737983354315 0.0569194834156 . . . . . . . . . . 26712 4 54 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.754953779687 0.0391513048193 . . . . . . . . . . 26712 4 55 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.706285301139 0.0293339605416 . . . . . . . . . . 26712 4 56 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.666512969371 0.0292790783234 . . . . . . . . . . 26712 4 57 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.291437982166 0.0212475755766 . . . . . . . . . . 26712 4 stop_ save_ save_600.18_MHz_heteronuclear_NOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_heteronuclear_NOE_top _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 1 '600.18 MHz steady-state NOE' 1 $sample_1 . 26712 5 9 '600.18 MHz steady-state NOE' 1 $sample_1 . 26712 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 . . 26712 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 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.79891223078 0.0396724989676 . . . . . . . . . . 26712 5 2 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.87990282441 0.102260773161 . . . . . . . . . . 26712 5 3 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.794579153729 0.0870227476618 . . . . . . . . . . 26712 5 4 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.745810724596 0.0760207853959 . . . . . . . . . . 26712 5 5 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.833464462856 0.0620218550187 . . . . . . . . . . 26712 5 6 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.218841807335 0.0540013521892 . . . . . . . . . . 26712 5 7 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.627801130039 0.154362075472 . . . . . . . . . . 26712 5 8 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.653585151974 0.0589797365743 . . . . . . . . . . 26712 5 9 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.800286714351 0.055066807059 . . . . . . . . . . 26712 5 10 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.905066005014 0.0736319056428 . . . . . . . . . . 26712 5 11 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.800608409905 0.0585260143976 . . . . . . . . . . 26712 5 12 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.752430077049 0.0472186138942 . . . . . . . . . . 26712 5 13 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.880483390559 0.0555017233274 . . . . . . . . . . 26712 5 14 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.858586009027 0.0356490816949 . . . . . . . . . . 26712 5 15 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.829841589675 0.062962233346 . . . . . . . . . . 26712 5 16 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.829343420438 0.0464671722047 . . . . . . . . . . 26712 5 17 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.857049825855 0.0358121921053 . . . . . . . . . . 26712 5 18 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.933423420137 0.105964255005 . . . . . . . . . . 26712 5 19 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.686901441855 0.0488792195559 . . . . . . . . . . 26712 5 20 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.774379396769 0.0572790661491 . . . . . . . . . . 26712 5 21 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.852915148527 0.0478680193188 . . . . . . . . . . 26712 5 22 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.74904814566 0.0480721865123 . . . . . . . . . . 26712 5 23 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.743639987579 0.0451242268828 . . . . . . . . . . 26712 5 24 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.0720809074692 0.0136778355312 . . . . . . . . . . 26712 5 25 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.279079664334 0.0392404151614 . . . . . . . . . . 26712 5 26 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.367045758606 0.0422860244253 . . . . . . . . . . 26712 5 27 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.788191942769 0.05004588419 . . . . . . . . . . 26712 5 28 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.777501497868 0.052721672941 . . . . . . . . . . 26712 5 29 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.725221052341 0.0663591357246 . . . . . . . . . . 26712 5 30 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.7089704831 0.0632048532932 . . . . . . . . . . 26712 5 31 . 1 1 69 69 GLN N N 15 . 1 1 69 69 GLN H H 1 0.3873516184 0.0483088441841 . . . . . . . . . . 26712 5 32 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.748559438491 0.0376387977642 . . . . . . . . . . 26712 5 33 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.667459240498 0.045557036631 . . . . . . . . . . 26712 5 34 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.820937572213 0.0739708456085 . . . . . . . . . . 26712 5 35 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.699182485186 0.0631555586821 . . . . . . . . . . 26712 5 36 . 1 1 79 79 THR N N 15 . 1 1 79 79 THR H H 1 0.902265144838 0.104680916673 . . . . . . . . . . 26712 5 37 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.957404169905 0.110241084266 . . . . . . . . . . 26712 5 38 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.936238099407 0.118037282368 . . . . . . . . . . 26712 5 39 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.652768560293 0.0674501736081 . . . . . . . . . . 26712 5 40 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.576990984135 0.0325868376262 . . . . . . . . . . 26712 5 41 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.878243120705 0.116314834795 . . . . . . . . . . 26712 5 42 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.82308945423 0.109914688258 . . . . . . . . . . 26712 5 43 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.758844645128 0.0774104716105 . . . . . . . . . . 26712 5 44 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.517471897159 0.0481818435953 . . . . . . . . . . 26712 5 45 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.847029199572 0.112549136474 . . . . . . . . . . 26712 5 46 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.955245129703 0.127247833452 . . . . . . . . . . 26712 5 47 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.795360219326 0.0851264494287 . . . . . . . . . . 26712 5 48 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.775681560982 0.0868096458814 . . . . . . . . . . 26712 5 49 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.913648266333 0.0581359400201 . . . . . . . . . . 26712 5 50 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.84169455861 0.0435075097016 . . . . . . . . . . 26712 5 51 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.830757558007 0.0779528498779 . . . . . . . . . . 26712 5 52 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.732523523355 0.0548745471607 . . . . . . . . . . 26712 5 53 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.849501420282 0.0365923881354 . . . . . . . . . . 26712 5 54 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.104026299823 0.0753101183247 . . . . . . . . . . 26712 5 55 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.526579375424 0.0564804763151 . . . . . . . . . . 26712 5 56 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.627129396788 0.0532670141074 . . . . . . . . . . 26712 5 57 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.814993098232 0.0617195694537 . . . . . . . . . . 26712 5 58 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.755058648403 0.092195498812 . . . . . . . . . . 26712 5 59 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 0.83633901206 0.100288780234 . . . . . . . . . . 26712 5 60 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.906401866903 0.113411271708 . . . . . . . . . . 26712 5 61 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.839606348986 0.0871317356369 . . . . . . . . . . 26712 5 62 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.781129067434 0.0777134562873 . . . . . . . . . . 26712 5 63 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.715205253659 0.0579482262115 . . . . . . . . . . 26712 5 64 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.798156829946 0.0531961404479 . . . . . . . . . . 26712 5 65 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.673317959767 0.042317556634 . . . . . . . . . . 26712 5 66 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.735918095777 0.041317439572 . . . . . . . . . . 26712 5 67 . 1 1 123 123 ARG N N 15 . 1 1 123 123 ARG H H 1 0.634218639767 0.0289777799815 . . . . . . . . . . 26712 5 68 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.689423325575 0.0557954815639 . . . . . . . . . . 26712 5 69 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.716630941762 0.0931699903506 . . . . . . . . . . 26712 5 70 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.820812033145 0.123664902763 . . . . . . . . . . 26712 5 71 . 1 1 128 128 TYR N N 15 . 1 1 128 128 TYR H H 1 0.873332574064 0.107276581762 . . . . . . . . . . 26712 5 72 . 1 1 129 129 HIS N N 15 . 1 1 129 129 HIS H H 1 0.783209289007 0.0789452342909 . . . . . . . . . . 26712 5 73 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.706839063322 0.120957659839 . . . . . . . . . . 26712 5 74 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.930324374274 0.0906147745249 . . . . . . . . . . 26712 5 75 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.721481356004 0.0623260353581 . . . . . . . . . . 26712 5 76 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.797263982017 0.082744368921 . . . . . . . . . . 26712 5 77 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.785404485727 0.110352587231 . . . . . . . . . . 26712 5 78 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.824611688718 0.103039825544 . . . . . . . . . . 26712 5 79 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.89938534396 0.0976053409774 . . . . . . . . . . 26712 5 80 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.73584613967 0.055647617559 . . . . . . . . . . 26712 5 81 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.760790820607 0.0381504656999 . . . . . . . . . . 26712 5 82 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.832269026453 0.0948609377422 . . . . . . . . . . 26712 5 83 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.695801632058 0.0727919382348 . . . . . . . . . . 26712 5 84 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.59934396009 0.0726546697366 . . . . . . . . . . 26712 5 85 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.771942255261 0.0543918054578 . . . . . . . . . . 26712 5 86 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.85888073815 0.0605271366283 . . . . . . . . . . 26712 5 87 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.626291515795 0.0770765185794 . . . . . . . . . . 26712 5 88 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.727972834599 0.0358198549994 . . . . . . . . . . 26712 5 89 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.723618979717 0.0982986804785 . . . . . . . . . . 26712 5 90 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.710237950135 0.0469498327998 . . . . . . . . . . 26712 5 91 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.906038337843 0.0881734151191 . . . . . . . . . . 26712 5 92 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.763550095574 0.0707394262378 . . . . . . . . . . 26712 5 93 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.713069951393 0.0865722019645 . . . . . . . . . . 26712 5 94 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.739602209312 0.095821988494 . . . . . . . . . . 26712 5 95 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.90757930437 0.0809565720674 . . . . . . . . . . 26712 5 96 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.775140896572 0.0569129662941 . . . . . . . . . . 26712 5 97 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.852608426217 0.0820930751202 . . . . . . . . . . 26712 5 98 . 1 1 164 164 ALA N N 15 . 1 1 164 164 ALA H H 1 0.705837117706 0.0859815457912 . . . . . . . . . . 26712 5 99 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.669051614566 0.0848566620994 . . . . . . . . . . 26712 5 100 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.796181379128 0.105502777416 . . . . . . . . . . 26712 5 101 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.885420504488 0.0959151429998 . . . . . . . . . . 26712 5 102 . 1 1 170 170 GLN N N 15 . 1 1 170 170 GLN H H 1 0.638608370814 0.0885291153724 . . . . . . . . . . 26712 5 103 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.624348785327 0.0690693977068 . . . . . . . . . . 26712 5 104 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.866197918134 0.102175794004 . . . . . . . . . . 26712 5 105 . 1 1 174 174 TYR N N 15 . 1 1 174 174 TYR H H 1 0.728197884623 0.0885252643039 . . . . . . . . . . 26712 5 106 . 1 1 175 175 LEU N N 15 . 1 1 175 175 LEU H H 1 0.859647617715 0.0835072069143 . . . . . . . . . . 26712 5 107 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.704485925901 0.0924955786579 . . . . . . . . . . 26712 5 108 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.701022556693 0.0354205878823 . . . . . . . . . . 26712 5 109 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.606204754607 0.0568075511751 . . . . . . . . . . 26712 5 110 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.837201215756 0.118771997119 . . . . . . . . . . 26712 5 111 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.862981369063 0.0630915183689 . . . . . . . . . . 26712 5 112 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.826003015135 0.0670611697165 . . . . . . . . . . 26712 5 113 . 1 1 185 185 ARG N N 15 . 1 1 185 185 ARG H H 1 0.92079147183 0.0690593603873 . . . . . . . . . . 26712 5 114 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.84611009332 0.0711668665949 . . . . . . . . . . 26712 5 115 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.870580814009 0.0947643463437 . . . . . . . . . . 26712 5 116 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.715762032898 0.0378546471713 . . . . . . . . . . 26712 5 117 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.732132327074 0.0466730377942 . . . . . . . . . . 26712 5 118 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.626609561986 0.0714982375101 . . . . . . . . . . 26712 5 119 . 1 1 195 195 GLN N N 15 . 1 1 195 195 GLN H H 1 0.697915616718 0.0701344617836 . . . . . . . . . . 26712 5 stop_ save_ save_750.46_MHz_heteronuclear_NOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_heteronuclear_NOE_top _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 . 26712 6 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26712 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 . . 26712 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 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.750595992676 0.0411407353718 . . . . . . . . . . 26712 6 2 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.706305125536 0.0749777798228 . . . . . . . . . . 26712 6 3 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.838879966382 0.0751185272093 . . . . . . . . . . 26712 6 4 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.933469547743 0.10266374613 . . . . . . . . . . 26712 6 5 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.785986231107 0.0478757101469 . . . . . . . . . . 26712 6 6 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.430599478464 0.0920487697629 . . . . . . . . . . 26712 6 7 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.997310769895 0.261114906755 . . . . . . . . . . 26712 6 8 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.728196579479 0.0524751161828 . . . . . . . . . . 26712 6 9 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.865795108603 0.0555252561415 . . . . . . . . . . 26712 6 10 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.695799743545 0.0671416454261 . . . . . . . . . . 26712 6 11 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.87711348066 0.0544857025123 . . . . . . . . . . 26712 6 12 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.831881105776 0.076492312774 . . . . . . . . . . 26712 6 13 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.801846821442 0.0577627028496 . . . . . . . . . . 26712 6 14 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.829890498115 0.0413594383436 . . . . . . . . . . 26712 6 15 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.813153214728 0.0637270394352 . . . . . . . . . . 26712 6 16 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.848558548901 0.0573160204342 . . . . . . . . . . 26712 6 17 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.755897311015 0.0413287500397 . . . . . . . . . . 26712 6 18 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.793038540737 0.0909523818215 . . . . . . . . . . 26712 6 19 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.802097440094 0.0572922582273 . . . . . . . . . . 26712 6 20 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.848623044768 0.0707825067383 . . . . . . . . . . 26712 6 21 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.8367935858 0.0523945068396 . . . . . . . . . . 26712 6 22 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.784357746326 0.0534823786903 . . . . . . . . . . 26712 6 23 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.697700587872 0.0399127342599 . . . . . . . . . . 26712 6 24 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.164644714977 0.0203641544665 . . . . . . . . . . 26712 6 25 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.35747568529 0.0534735038243 . . . . . . . . . . 26712 6 26 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.417678592639 0.0649991217687 . . . . . . . . . . 26712 6 27 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.864698353552 0.0641523341133 . . . . . . . . . . 26712 6 28 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.763535183711 0.0541414138071 . . . . . . . . . . 26712 6 29 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.68787885471 0.0690795043909 . . . . . . . . . . 26712 6 30 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.74056685979 0.0693482539102 . . . . . . . . . . 26712 6 31 . 1 1 69 69 GLN N N 15 . 1 1 69 69 GLN H H 1 0.490436653254 0.0479678741197 . . . . . . . . . . 26712 6 32 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.804694965936 0.038114304485 . . . . . . . . . . 26712 6 33 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.819799826891 0.0499510689438 . . . . . . . . . . 26712 6 34 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.835100074431 0.0731219481917 . . . . . . . . . . 26712 6 35 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.844030615093 0.0771938178949 . . . . . . . . . . 26712 6 36 . 1 1 79 79 THR N N 15 . 1 1 79 79 THR H H 1 0.876698719156 0.133377576823 . . . . . . . . . . 26712 6 37 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.863185112238 0.101200434234 . . . . . . . . . . 26712 6 38 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.963785317577 0.0876166777549 . . . . . . . . . . 26712 6 39 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.694889760036 0.0786137099082 . . . . . . . . . . 26712 6 40 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.614651086154 0.0318447858909 . . . . . . . . . . 26712 6 41 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.906271518008 0.0827988096185 . . . . . . . . . . 26712 6 42 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.7893861965 0.0727717196266 . . . . . . . . . . 26712 6 43 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.728298065544 0.0821631951667 . . . . . . . . . . 26712 6 44 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.712401971755 0.0697761211549 . . . . . . . . . . 26712 6 45 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.766486696382 0.0808743274366 . . . . . . . . . . 26712 6 46 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.759517253441 0.0881561402976 . . . . . . . . . . 26712 6 47 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.772798819919 0.0887870034953 . . . . . . . . . . 26712 6 48 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.745369086165 0.0750913500804 . . . . . . . . . . 26712 6 49 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.826611241573 0.0547307467869 . . . . . . . . . . 26712 6 50 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.778697835348 0.044980578566 . . . . . . . . . . 26712 6 51 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.817871176995 0.0584051090334 . . . . . . . . . . 26712 6 52 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.817952868982 0.0537108919559 . . . . . . . . . . 26712 6 53 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.790019994459 0.0408419569689 . . . . . . . . . . 26712 6 54 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 -0.174062034075 0.102399993614 . . . . . . . . . . 26712 6 55 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.621090913244 0.0727722466359 . . . . . . . . . . 26712 6 56 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.778626614162 0.0511609921166 . . . . . . . . . . 26712 6 57 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.804667878993 0.0561377776513 . . . . . . . . . . 26712 6 58 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.786228018629 0.0774795383107 . . . . . . . . . . 26712 6 59 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 0.96551389521 0.159383082965 . . . . . . . . . . 26712 6 60 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.779270179852 0.072152878774 . . . . . . . . . . 26712 6 61 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.760928780481 0.0892337288086 . . . . . . . . . . 26712 6 62 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.778882609321 0.0752500717971 . . . . . . . . . . 26712 6 63 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.812985050436 0.0588391110736 . . . . . . . . . . 26712 6 64 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.77576037276 0.0542253837107 . . . . . . . . . . 26712 6 65 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.636889149183 0.0439834615712 . . . . . . . . . . 26712 6 66 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.693718008567 0.0479476134903 . . . . . . . . . . 26712 6 67 . 1 1 123 123 ARG N N 15 . 1 1 123 123 ARG H H 1 0.689996783326 0.029831444313 . . . . . . . . . . 26712 6 68 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.91079874625 0.0746293525055 . . . . . . . . . . 26712 6 69 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.782700374401 0.0914168523457 . . . . . . . . . . 26712 6 70 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.624616569227 0.0731615424112 . . . . . . . . . . 26712 6 71 . 1 1 128 128 TYR N N 15 . 1 1 128 128 TYR H H 1 0.811747146295 0.0985156174408 . . . . . . . . . . 26712 6 72 . 1 1 129 129 HIS N N 15 . 1 1 129 129 HIS H H 1 1.01051096472 0.185242357591 . . . . . . . . . . 26712 6 73 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.832325616733 0.147099525061 . . . . . . . . . . 26712 6 74 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.808056385532 0.103361005336 . . . . . . . . . . 26712 6 75 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.829267404494 0.0702787959398 . . . . . . . . . . 26712 6 76 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.686154692376 0.0919168203327 . . . . . . . . . . 26712 6 77 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.683404715797 0.0891107245411 . . . . . . . . . . 26712 6 78 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.931574211299 0.128940190027 . . . . . . . . . . 26712 6 79 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.87025833654 0.0788607509671 . . . . . . . . . . 26712 6 80 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.71920740444 0.0628385769946 . . . . . . . . . . 26712 6 81 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.791488034427 0.0403694112988 . . . . . . . . . . 26712 6 82 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.800630621436 0.0844406025983 . . . . . . . . . . 26712 6 83 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.817802287711 0.0817073947294 . . . . . . . . . . 26712 6 84 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.672112188619 0.0706702784037 . . . . . . . . . . 26712 6 85 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.831985832734 0.0544148355564 . . . . . . . . . . 26712 6 86 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.745681350313 0.0682864421396 . . . . . . . . . . 26712 6 87 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.72120389849 0.082865709646 . . . . . . . . . . 26712 6 88 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.701108452436 0.0371843067277 . . . . . . . . . . 26712 6 89 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.715835921137 0.0781257639565 . . . . . . . . . . 26712 6 90 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.71470368364 0.0460202239751 . . . . . . . . . . 26712 6 91 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.796954179208 0.0957232323075 . . . . . . . . . . 26712 6 92 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.75330142271 0.0592475266411 . . . . . . . . . . 26712 6 93 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.834473028681 0.0781958517265 . . . . . . . . . . 26712 6 94 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.782851021912 0.0898103595486 . . . . . . . . . . 26712 6 95 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.829238544672 0.0640942846778 . . . . . . . . . . 26712 6 96 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.80322686046 0.0568554593695 . . . . . . . . . . 26712 6 97 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.771394761588 0.0727872587054 . . . . . . . . . . 26712 6 98 . 1 1 164 164 ALA N N 15 . 1 1 164 164 ALA H H 1 0.763589179298 0.0759045277457 . . . . . . . . . . 26712 6 99 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.799506043336 0.0699256055397 . . . . . . . . . . 26712 6 100 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.766163949637 0.082672936254 . . . . . . . . . . 26712 6 101 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.758684497909 0.0700951728902 . . . . . . . . . . 26712 6 102 . 1 1 170 170 GLN N N 15 . 1 1 170 170 GLN H H 1 0.752468161505 0.0716838170488 . . . . . . . . . . 26712 6 103 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.759810644685 0.0976611789868 . . . . . . . . . . 26712 6 104 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.857532885884 0.0899225629579 . . . . . . . . . . 26712 6 105 . 1 1 174 174 TYR N N 15 . 1 1 174 174 TYR H H 1 0.721684681839 0.0746189488387 . . . . . . . . . . 26712 6 106 . 1 1 175 175 LEU N N 15 . 1 1 175 175 LEU H H 1 0.740249504749 0.104757352337 . . . . . . . . . . 26712 6 107 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.785028045281 0.0726745036146 . . . . . . . . . . 26712 6 108 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.773126654077 0.0445261199571 . . . . . . . . . . 26712 6 109 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.778324054422 0.0798508426152 . . . . . . . . . . 26712 6 110 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.794107324446 0.0727117324257 . . . . . . . . . . 26712 6 111 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.734228129536 0.0613126062223 . . . . . . . . . . 26712 6 112 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.77717630947 0.0582882232102 . . . . . . . . . . 26712 6 113 . 1 1 185 185 ARG N N 15 . 1 1 185 185 ARG H H 1 0.818259695223 0.0655864482768 . . . . . . . . . . 26712 6 114 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.818232294687 0.0591537027559 . . . . . . . . . . 26712 6 115 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.860624559144 0.0696771270287 . . . . . . . . . . 26712 6 116 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.780431301073 0.0459153028146 . . . . . . . . . . 26712 6 117 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.7652755533 0.0491680212955 . . . . . . . . . . 26712 6 118 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.776160734985 0.0750123988853 . . . . . . . . . . 26712 6 119 . 1 1 195 195 GLN N N 15 . 1 1 195 195 GLN H H 1 0.728646766069 0.0584072787819 . . . . . . . . . . 26712 6 stop_ save_ ############################ # Auto relaxation values # ############################ save_600.18_MHz_R1_relaxation_bn_1 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 600.18_MHz_R1_relaxation_bn_1 _Auto_relaxation_list.Entry_ID 26712 _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 . 26712 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 0.895857677129 0.0646995894293 . . . . . . . 26712 1 2 . . 2 2 8 8 ILE N N 15 0.670739993776 0.129515949831 . . . . . . . 26712 1 3 . . 2 2 9 9 GLN N N 15 0.528899855579 0.0739776040753 . . . . . . . 26712 1 4 . . 2 2 12 12 SER N N 15 0.59415205796 0.0666026648929 . . . . . . . 26712 1 5 . . 2 2 13 13 ARG N N 15 0.599530134479 0.123567465856 . . . . . . . 26712 1 6 . . 2 2 14 14 HIS N N 15 0.639159961829 0.0561381404246 . . . . . . . 26712 1 7 . . 2 2 17 17 GLU N N 15 0.71454332758 0.111224393943 . . . . . . . 26712 1 8 . . 2 2 19 19 GLY N N 15 0.804252530624 0.13359229437 . . . . . . . 26712 1 9 . . 2 2 20 20 LYS N N 15 0.575848086368 0.0317204160856 . . . . . . . 26712 1 10 . . 2 2 23 23 PHE N N 15 0.611876920152 0.0562250808718 . . . . . . . 26712 1 11 . . 2 2 25 25 ASN N N 15 0.696069531839 0.109534246641 . . . . . . . 26712 1 12 . . 2 2 26 26 CYS N N 15 0.524862841976 0.0730531318812 . . . . . . . 26712 1 13 . . 2 2 27 27 TYR N N 15 0.612916778572 0.122710794013 . . . . . . . 26712 1 14 . . 2 2 29 29 SER N N 15 0.505933724216 0.0706954665641 . . . . . . . 26712 1 15 . . 2 2 30 30 GLY N N 15 0.651053506342 0.098955209518 . . . . . . . 26712 1 16 . . 2 2 31 31 PHE N N 15 0.569251830318 0.0589693935809 . . . . . . . 26712 1 17 . . 2 2 34 34 SER N N 15 0.612732737106 0.183068508826 . . . . . . . 26712 1 18 . . 2 2 35 35 ASP N N 15 0.591185608759 0.0239939616776 . . . . . . . 26712 1 19 . . 2 2 37 37 GLU N N 15 0.585389991824 0.0699593953833 . . . . . . . 26712 1 20 . . 2 2 38 38 VAL N N 15 0.568180625047 0.0375860934608 . . . . . . . 26712 1 21 . . 2 2 40 40 LEU N N 15 0.5749785225 0.0626178155284 . . . . . . . 26712 1 22 . . 2 2 41 41 LEU N N 15 0.600000839828 0.0961074835187 . . . . . . . 26712 1 23 . . 2 2 43 43 ASN N N 15 0.558068863211 0.0711249970344 . . . . . . . 26712 1 24 . . 2 2 44 44 GLY N N 15 0.697165612513 0.122239123179 . . . . . . . 26712 1 25 . . 2 2 45 45 GLU N N 15 0.554348270282 0.0282096879147 . . . . . . . 26712 1 26 . . 2 2 46 46 ARG N N 15 0.636125445139 0.133927526073 . . . . . . . 26712 1 27 . . 2 2 47 47 ILE N N 15 0.679849944802 0.106698041188 . . . . . . . 26712 1 28 . . 2 2 48 48 GLU N N 15 0.585177593531 0.0854619045993 . . . . . . . 26712 1 29 . . 2 2 49 49 LYS N N 15 0.569534031935 0.0443358441546 . . . . . . . 26712 1 30 . . 2 2 51 51 GLU N N 15 0.596738939211 0.0459284144575 . . . . . . . 26712 1 31 . . 2 2 52 52 HIS N N 15 0.535898035967 0.028737109231 . . . . . . . 26712 1 32 . . 2 2 53 53 SER N N 15 0.588219235287 0.0914835908553 . . . . . . . 26712 1 33 . . 2 2 54 54 ASP N N 15 0.536958055037 0.23632359816 . . . . . . . 26712 1 34 . . 2 2 55 55 LEU N N 15 0.683669960245 0.129310040847 . . . . . . . 26712 1 35 . . 2 2 56 56 SER N N 15 0.572980159804 0.136067322298 . . . . . . . 26712 1 36 . . 2 2 57 57 PHE N N 15 0.642629551269 0.0524245098112 . . . . . . . 26712 1 37 . . 2 2 58 58 SER N N 15 0.540068675534 0.118681356127 . . . . . . . 26712 1 38 . . 2 2 60 60 ASP N N 15 0.698753156625 0.0800570381918 . . . . . . . 26712 1 39 . . 2 2 61 61 TRP N N 15 0.63948851917 0.0943970735014 . . . . . . . 26712 1 40 . . 2 2 61 61 TRP NE1 N 15 0.482580261896 0.0375370178492 . . . . . . . 26712 1 41 . . 2 2 62 62 SER N N 15 0.654558885138 0.0749461341307 . . . . . . . 26712 1 42 . . 2 2 63 63 PHE N N 15 0.606607458819 0.123429395023 . . . . . . . 26712 1 43 . . 2 2 64 64 TYR N N 15 0.499343137336 0.0932038512223 . . . . . . . 26712 1 44 . . 2 2 65 65 LEU N N 15 0.458857122855 0.0809713231332 . . . . . . . 26712 1 45 . . 2 2 66 66 LEU N N 15 0.482238636073 0.120261123709 . . . . . . . 26712 1 46 . . 2 2 67 67 TYR N N 15 0.566144603807 0.0995545123069 . . . . . . . 26712 1 47 . . 2 2 68 68 TYR N N 15 0.607655007051 0.0623116184479 . . . . . . . 26712 1 48 . . 2 2 69 69 THR N N 15 0.547971937685 0.0743256860695 . . . . . . . 26712 1 49 . . 2 2 70 70 GLU N N 15 0.54529817489 0.0305283780508 . . . . . . . 26712 1 50 . . 2 2 71 71 PHE N N 15 0.71981068695 0.080966147274 . . . . . . . 26712 1 51 . . 2 2 72 72 THR N N 15 0.555078095041 0.069879305455 . . . . . . . 26712 1 52 . . 2 2 74 74 THR N N 15 0.511582896859 0.048868915647 . . . . . . . 26712 1 53 . . 2 2 75 75 GLU N N 15 3.98514835945 54.8611716519 . . . . . . . 26712 1 54 . . 2 2 76 76 LYS N N 15 0.634984797348 0.0752859817855 . . . . . . . 26712 1 55 . . 2 2 77 77 ASP N N 15 0.56930108036 0.0405272379954 . . . . . . . 26712 1 56 . . 2 2 79 79 TYR N N 15 0.565684861543 0.0626775519736 . . . . . . . 26712 1 57 . . 2 2 81 81 CYS N N 15 0.59545399551 0.0676534711315 . . . . . . . 26712 1 58 . . 2 2 82 82 ARG N N 15 0.561978757443 0.0661041283861 . . . . . . . 26712 1 59 . . 2 2 83 83 VAL N N 15 0.541535331063 0.0884425589518 . . . . . . . 26712 1 60 . . 2 2 84 84 ASN N N 15 0.662186300917 0.0799332080764 . . . . . . . 26712 1 61 . . 2 2 85 85 HIS N N 15 0.608489426124 0.0448875594214 . . . . . . . 26712 1 62 . . 2 2 86 86 VAL N N 15 0.575642836567 0.113548924033 . . . . . . . 26712 1 63 . . 2 2 87 87 THR N N 15 0.569016041215 0.0979995032539 . . . . . . . 26712 1 64 . . 2 2 88 88 LEU N N 15 0.596178895522 0.0410867315871 . . . . . . . 26712 1 65 . . 2 2 90 90 GLN N N 15 0.620311852701 0.0226105514722 . . . . . . . 26712 1 66 . . 2 2 92 92 LYS N N 15 0.543923893595 0.0609895019253 . . . . . . . 26712 1 67 . . 2 2 93 93 ILE N N 15 0.64132632178 0.0435188392255 . . . . . . . 26712 1 68 . . 2 2 94 94 VAL N N 15 0.516023407278 0.0737852807063 . . . . . . . 26712 1 69 . . 2 2 95 95 LYS N N 15 0.555509927333 0.0515154806795 . . . . . . . 26712 1 70 . . 2 2 96 96 TRP N N 15 0.680535163173 0.0902029251958 . . . . . . . 26712 1 71 . . 2 2 96 96 TRP NE1 N 15 0.467554916265 0.0514682433267 . . . . . . . 26712 1 72 . . 2 2 97 97 ASP N N 15 0.63600503899 0.0678243905328 . . . . . . . 26712 1 73 . . 2 2 98 98 ARG N N 15 0.632276564975 0.150081994358 . . . . . . . 26712 1 74 . . 2 2 99 99 ASP N N 15 0.654830227546 0.0374623305428 . . . . . . . 26712 1 75 . . 2 2 100 100 MET N N 15 0.593836971144 0.0309496652185 . . . . . . . 26712 1 stop_ save_ save_600.18_MHz_R2_relaxation_bn_2 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 600.18_MHz_R2_relaxation_bn_2 _Auto_relaxation_list.Entry_ID 26712 _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 . 26712 2 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 2 2 3 3 GLN N N 15 19.3419071736 0.950821211412 . . . . . . . 26712 2 2 . . 2 2 8 8 ILE N N 15 16.4852676985 1.95192532221 . . . . . . . 26712 2 3 . . 2 2 9 9 GLN N N 15 42.8699925203 5.74725128778 . . . . . . . 26712 2 4 . . 2 2 12 12 SER N N 15 35.385301302 4.16359210254 . . . . . . . 26712 2 5 . . 2 2 13 13 ARG N N 15 31.9314002558 5.12836397791 . . . . . . . 26712 2 6 . . 2 2 14 14 HIS N N 15 25.2661009913 1.80416335664 . . . . . . . 26712 2 7 . . 2 2 17 17 GLU N N 15 27.1765217685 2.81710401741 . . . . . . . 26712 2 8 . . 2 2 19 19 GLY N N 15 31.0153960399 4.93701754857 . . . . . . . 26712 2 9 . . 2 2 20 20 LYS N N 15 33.1319614645 1.24490897189 . . . . . . . 26712 2 10 . . 2 2 23 23 PHE N N 15 33.5748420936 2.97229863605 . . . . . . . 26712 2 11 . . 2 2 25 25 ASN N N 15 27.3256493465 6.3209158808 . . . . . . . 26712 2 12 . . 2 2 26 26 CYS N N 15 40.172497791 5.39789490594 . . . . . . . 26712 2 13 . . 2 2 27 27 TYR N N 15 44.9222796535 8.89004064341 . . . . . . . 26712 2 14 . . 2 2 29 29 SER N N 15 31.9713695099 4.14939225923 . . . . . . . 26712 2 15 . . 2 2 30 30 GLY N N 15 32.8797034835 5.05026485343 . . . . . . . 26712 2 16 . . 2 2 31 31 PHE N N 15 30.7319570725 2.56705049306 . . . . . . . 26712 2 17 . . 2 2 34 34 SER N N 15 38.9012809819 11.3094830244 . . . . . . . 26712 2 18 . . 2 2 35 35 ASP N N 15 29.8622306033 1.0433995018 . . . . . . . 26712 2 19 . . 2 2 37 37 GLU N N 15 29.7933935034 3.03471045749 . . . . . . . 26712 2 20 . . 2 2 38 38 VAL N N 15 12.6327462005 0.637966392441 . . . . . . . 26712 2 21 . . 2 2 40 40 LEU N N 15 29.8668096227 2.95667837194 . . . . . . . 26712 2 22 . . 2 2 41 41 LEU N N 15 32.7925280235 4.66154711799 . . . . . . . 26712 2 23 . . 2 2 43 43 ASN N N 15 29.2281602491 2.77854380571 . . . . . . . 26712 2 24 . . 2 2 44 44 GLY N N 15 31.0109331277 5.55944672494 . . . . . . . 26712 2 25 . . 2 2 45 45 GLU N N 15 29.8463266369 1.23303606623 . . . . . . . 26712 2 26 . . 2 2 46 46 ARG N N 15 28.5893799527 3.56747492712 . . . . . . . 26712 2 27 . . 2 2 47 47 ILE N N 15 29.179362203 3.61219032886 . . . . . . . 26712 2 28 . . 2 2 48 48 GLU N N 15 29.1140203869 2.68267809519 . . . . . . . 26712 2 29 . . 2 2 49 49 LYS N N 15 15.3560866178 0.650790268495 . . . . . . . 26712 2 30 . . 2 2 51 51 GLU N N 15 29.9885598343 2.10105824332 . . . . . . . 26712 2 31 . . 2 2 52 52 HIS N N 15 32.6299304347 1.28143001484 . . . . . . . 26712 2 32 . . 2 2 53 53 SER N N 15 37.8697227074 5.44155283599 . . . . . . . 26712 2 33 . . 2 2 54 54 ASP N N 15 66.2089831304 22.0322357779 . . . . . . . 26712 2 34 . . 2 2 55 55 LEU N N 15 20.1680503971 3.34051798177 . . . . . . . 26712 2 35 . . 2 2 56 56 SER N N 15 41.002840294 8.24258087636 . . . . . . . 26712 2 36 . . 2 2 57 57 PHE N N 15 28.9426433131 1.27586960998 . . . . . . . 26712 2 37 . . 2 2 58 58 SER N N 15 31.9731438973 4.51387381858 . . . . . . . 26712 2 38 . . 2 2 60 60 ASP N N 15 32.1931312357 2.63678802058 . . . . . . . 26712 2 39 . . 2 2 61 61 TRP N N 15 24.8860020884 2.82873646396 . . . . . . . 26712 2 40 . . 2 2 61 61 TRP NE1 N 15 29.1922401449 1.52766169239 . . . . . . . 26712 2 41 . . 2 2 62 62 SER N N 15 33.258291645 2.89714651535 . . . . . . . 26712 2 42 . . 2 2 63 63 PHE N N 15 15.2912899775 1.91103838168 . . . . . . . 26712 2 43 . . 2 2 64 64 TYR N N 15 27.028250565 4.48687042549 . . . . . . . 26712 2 44 . . 2 2 65 65 LEU N N 15 40.9730737241 5.69662757717 . . . . . . . 26712 2 45 . . 2 2 66 66 LEU N N 15 28.9020495684 6.28548520239 . . . . . . . 26712 2 46 . . 2 2 67 67 TYR N N 15 31.8765001992 4.92897771258 . . . . . . . 26712 2 47 . . 2 2 68 68 TYR N N 15 39.0044923037 3.52088040257 . . . . . . . 26712 2 48 . . 2 2 69 69 THR N N 15 34.0398276357 3.70074674312 . . . . . . . 26712 2 49 . . 2 2 70 70 GLU N N 15 28.6810485795 1.24839425282 . . . . . . . 26712 2 50 . . 2 2 71 71 PHE N N 15 31.1973024427 3.15436282066 . . . . . . . 26712 2 51 . . 2 2 72 72 THR N N 15 31.4318494143 2.06766704836 . . . . . . . 26712 2 52 . . 2 2 74 74 THR N N 15 29.3067839034 1.81372975611 . . . . . . . 26712 2 53 . . 2 2 75 75 GLU N N 15 99.9121183505 585.196812624 . . . . . . . 26712 2 54 . . 2 2 76 76 LYS N N 15 22.0366296775 1.30739336252 . . . . . . . 26712 2 55 . . 2 2 77 77 ASP N N 15 31.3592928422 1.47269388695 . . . . . . . 26712 2 56 . . 2 2 79 79 TYR N N 15 31.4330980999 3.10604577837 . . . . . . . 26712 2 57 . . 2 2 81 81 CYS N N 15 32.4083519501 3.44773365344 . . . . . . . 26712 2 58 . . 2 2 82 82 ARG N N 15 29.9438503386 3.4077688587 . . . . . . . 26712 2 59 . . 2 2 83 83 VAL N N 15 29.8490047865 3.8654265526 . . . . . . . 26712 2 60 . . 2 2 84 84 ASN N N 15 38.8137645782 4.84262002735 . . . . . . . 26712 2 61 . . 2 2 85 85 HIS N N 15 30.3672365244 1.92170396728 . . . . . . . 26712 2 62 . . 2 2 86 86 VAL N N 15 30.8932254869 4.3866016325 . . . . . . . 26712 2 63 . . 2 2 87 87 THR N N 15 30.6835141664 4.20962460047 . . . . . . . 26712 2 64 . . 2 2 88 88 LEU N N 15 37.5848025582 2.20163898195 . . . . . . . 26712 2 65 . . 2 2 90 90 GLN N N 15 29.0576615946 0.710581081231 . . . . . . . 26712 2 66 . . 2 2 92 92 LYS N N 15 35.3232252096 3.73904650117 . . . . . . . 26712 2 67 . . 2 2 93 93 ILE N N 15 33.0253496811 1.82243811096 . . . . . . . 26712 2 68 . . 2 2 94 94 VAL N N 15 27.394482181 3.30782689665 . . . . . . . 26712 2 69 . . 2 2 95 95 LYS N N 15 30.1030140365 2.03446116148 . . . . . . . 26712 2 70 . . 2 2 96 96 TRP N N 15 30.3534392753 3.79102158177 . . . . . . . 26712 2 71 . . 2 2 96 96 TRP NE1 N 15 29.2064541441 2.18911209906 . . . . . . . 26712 2 72 . . 2 2 97 97 ASP N N 15 36.9991569446 4.19544830108 . . . . . . . 26712 2 73 . . 2 2 98 98 ARG N N 15 34.2355734182 5.31665953533 . . . . . . . 26712 2 74 . . 2 2 99 99 ASP N N 15 30.5837590389 1.52528407369 . . . . . . . 26712 2 75 . . 2 2 100 100 MET N N 15 22.1638019985 0.751200250321 . . . . . . . 26712 2 stop_ save_ save_750.46_MHz_R1_relaxation_bn_3 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 750.46_MHz_R1_relaxation_bn_3 _Auto_relaxation_list.Entry_ID 26712 _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 . 26712 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 0.707616648086 0.0427323476158 . . . . . . . 26712 3 2 . . 2 2 8 8 ILE N N 15 0.5004533247 0.0880001711618 . . . . . . . 26712 3 3 . . 2 2 9 9 GLN N N 15 0.353585178227 0.0476474820436 . . . . . . . 26712 3 4 . . 2 2 12 12 SER N N 15 0.481008140171 0.0493601259067 . . . . . . . 26712 3 5 . . 2 2 13 13 ARG N N 15 0.348440567479 0.0660274259775 . . . . . . . 26712 3 6 . . 2 2 14 14 HIS N N 15 0.436757753225 0.0371215028216 . . . . . . . 26712 3 7 . . 2 2 17 17 GLU N N 15 0.341206169011 0.0595251212906 . . . . . . . 26712 3 8 . . 2 2 19 19 GLY N N 15 0.37973514679 0.0653952166183 . . . . . . . 26712 3 9 . . 2 2 20 20 LYS N N 15 0.503434465969 0.023271461196 . . . . . . . 26712 3 10 . . 2 2 23 23 PHE N N 15 0.343054570752 0.0433912907032 . . . . . . . 26712 3 11 . . 2 2 25 25 ASN N N 15 0.435135179592 0.0632167622329 . . . . . . . 26712 3 12 . . 2 2 26 26 CYS N N 15 0.24343925358 0.0427297699641 . . . . . . . 26712 3 13 . . 2 2 27 27 TYR N N 15 0.196849691122 0.0738190940493 . . . . . . . 26712 3 14 . . 2 2 29 29 SER N N 15 0.365570222133 0.0508761077004 . . . . . . . 26712 3 15 . . 2 2 30 30 GLY N N 15 0.387131676684 0.0579540536918 . . . . . . . 26712 3 16 . . 2 2 31 31 PHE N N 15 0.446156186931 0.0333805478844 . . . . . . . 26712 3 17 . . 2 2 34 34 SER N N 15 0.63738984831 0.153060646982 . . . . . . . 26712 3 18 . . 2 2 35 35 ASP N N 15 0.44638960224 0.0144604600041 . . . . . . . 26712 3 19 . . 2 2 37 37 GLU N N 15 0.409921937202 0.0418395478569 . . . . . . . 26712 3 20 . . 2 2 38 38 VAL N N 15 0.408759538197 0.0231682497341 . . . . . . . 26712 3 21 . . 2 2 40 40 LEU N N 15 0.404785405299 0.0410442405289 . . . . . . . 26712 3 22 . . 2 2 41 41 LEU N N 15 0.328624000934 0.0600679058876 . . . . . . . 26712 3 23 . . 2 2 43 43 ASN N N 15 0.436241510007 0.0596844624482 . . . . . . . 26712 3 24 . . 2 2 44 44 GLY N N 15 0.41151561934 0.0652276869101 . . . . . . . 26712 3 25 . . 2 2 45 45 GLU N N 15 0.439500821921 0.0205002461529 . . . . . . . 26712 3 26 . . 2 2 46 46 ARG N N 15 0.512344415332 0.0755047814168 . . . . . . . 26712 3 27 . . 2 2 47 47 ILE N N 15 0.493552706799 0.0626134681904 . . . . . . . 26712 3 28 . . 2 2 48 48 GLU N N 15 0.429204735266 0.0580090593978 . . . . . . . 26712 3 29 . . 2 2 49 49 LYS N N 15 0.404129538776 0.0278322672577 . . . . . . . 26712 3 30 . . 2 2 51 51 GLU N N 15 0.396110718755 0.0338132844525 . . . . . . . 26712 3 31 . . 2 2 52 52 HIS N N 15 0.42738925156 0.0190003572772 . . . . . . . 26712 3 32 . . 2 2 53 53 SER N N 15 0.391090739848 0.0600942550663 . . . . . . . 26712 3 33 . . 2 2 54 54 ASP N N 15 0.54099175228 0.241137641352 . . . . . . . 26712 3 34 . . 2 2 55 55 LEU N N 15 0.497873398069 0.0905769249568 . . . . . . . 26712 3 35 . . 2 2 56 56 SER N N 15 0.394319651198 0.0780464261532 . . . . . . . 26712 3 36 . . 2 2 57 57 PHE N N 15 0.426537093084 0.0336610861974 . . . . . . . 26712 3 37 . . 2 2 58 58 SER N N 15 0.320532949812 0.0643883396549 . . . . . . . 26712 3 38 . . 2 2 60 60 ASP N N 15 0.336058319425 0.0423178127908 . . . . . . . 26712 3 39 . . 2 2 61 61 TRP N N 15 0.343192804692 0.0567006908534 . . . . . . . 26712 3 40 . . 2 2 61 61 TRP NE1 N 15 0.363794257729 0.0351012433815 . . . . . . . 26712 3 41 . . 2 2 62 62 SER N N 15 0.491965412531 0.0561439825398 . . . . . . . 26712 3 42 . . 2 2 63 63 PHE N N 15 0.689420431142 0.0961264887613 . . . . . . . 26712 3 43 . . 2 2 64 64 TYR N N 15 0.383911118625 0.0635202251899 . . . . . . . 26712 3 44 . . 2 2 65 65 LEU N N 15 0.568462878253 0.0552063213774 . . . . . . . 26712 3 45 . . 2 2 66 66 LEU N N 15 0.4162397855 0.0771039199111 . . . . . . . 26712 3 46 . . 2 2 67 67 TYR N N 15 0.654940097917 0.0890664507506 . . . . . . . 26712 3 47 . . 2 2 68 68 TYR N N 15 0.468839126815 0.0411791067736 . . . . . . . 26712 3 48 . . 2 2 69 69 THR N N 15 0.400170278923 0.0433455011302 . . . . . . . 26712 3 49 . . 2 2 70 70 GLU N N 15 0.431710655371 0.0236044069069 . . . . . . . 26712 3 50 . . 2 2 71 71 PHE N N 15 0.451377639191 0.0444877986777 . . . . . . . 26712 3 51 . . 2 2 72 72 THR N N 15 0.436443140861 0.0425562788964 . . . . . . . 26712 3 52 . . 2 2 74 74 THR N N 15 0.413544267657 0.0311732918298 . . . . . . . 26712 3 53 . . 2 2 75 75 GLU N N 15 15.4711021415 68.010303961 . . . . . . . 26712 3 54 . . 2 2 76 76 LYS N N 15 0.426246090298 0.0463378629456 . . . . . . . 26712 3 55 . . 2 2 77 77 ASP N N 15 0.459532050418 0.022673735356 . . . . . . . 26712 3 56 . . 2 2 79 79 TYR N N 15 0.4594920701 0.0481225715732 . . . . . . . 26712 3 57 . . 2 2 81 81 CYS N N 15 0.356143845745 0.0412738475676 . . . . . . . 26712 3 58 . . 2 2 82 82 ARG N N 15 0.361677685681 0.0505275160173 . . . . . . . 26712 3 59 . . 2 2 83 83 VAL N N 15 0.44336384403 0.0660862361241 . . . . . . . 26712 3 60 . . 2 2 84 84 ASN N N 15 0.458345833614 0.0501093238527 . . . . . . . 26712 3 61 . . 2 2 85 85 HIS N N 15 0.418313314007 0.0280475516145 . . . . . . . 26712 3 62 . . 2 2 86 86 VAL N N 15 0.294398057926 0.0656368180091 . . . . . . . 26712 3 63 . . 2 2 87 87 THR N N 15 0.504946348198 0.0557278348934 . . . . . . . 26712 3 64 . . 2 2 88 88 LEU N N 15 0.442399290802 0.0293096531817 . . . . . . . 26712 3 65 . . 2 2 90 90 GLN N N 15 0.51094612104 0.0142270767799 . . . . . . . 26712 3 66 . . 2 2 92 92 LYS N N 15 0.416066184101 0.0401594118706 . . . . . . . 26712 3 67 . . 2 2 93 93 ILE N N 15 0.44454039388 0.0270610144911 . . . . . . . 26712 3 68 . . 2 2 94 94 VAL N N 15 0.413673069783 0.0561240676217 . . . . . . . 26712 3 69 . . 2 2 95 95 LYS N N 15 0.477532844128 0.036490292215 . . . . . . . 26712 3 70 . . 2 2 96 96 TRP N N 15 0.432120804385 0.058781427227 . . . . . . . 26712 3 71 . . 2 2 96 96 TRP NE1 N 15 0.488993003737 0.0476327134977 . . . . . . . 26712 3 72 . . 2 2 97 97 ASP N N 15 0.3303451739 0.0508902641962 . . . . . . . 26712 3 73 . . 2 2 98 98 ARG N N 15 0.476863015305 0.0784877470575 . . . . . . . 26712 3 74 . . 2 2 99 99 ASP N N 15 0.536678102493 0.025027604109 . . . . . . . 26712 3 75 . . 2 2 100 100 MET N N 15 0.483743209266 0.022657152844 . . . . . . . 26712 3 stop_ save_ save_750.46_MHz_R2_relaxation_bn_4 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode 750.46_MHz_R2_relaxation_bn_4 _Auto_relaxation_list.Entry_ID 26712 _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 . 26712 4 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 2 2 3 3 GLN N N 15 19.4944662205 0.904709779343 . . . . . . . 26712 4 2 . . 2 2 8 8 ILE N N 15 13.9041168224 1.38197462026 . . . . . . . 26712 4 3 . . 2 2 9 9 GLN N N 15 42.9095901008 6.08923366373 . . . . . . . 26712 4 4 . . 2 2 12 12 SER N N 15 39.8440681636 6.6087888611 . . . . . . . 26712 4 5 . . 2 2 13 13 ARG N N 15 37.7860054624 8.38634838657 . . . . . . . 26712 4 6 . . 2 2 14 14 HIS N N 15 16.7709922109 1.07171648638 . . . . . . . 26712 4 7 . . 2 2 17 17 GLU N N 15 38.0226032343 5.15234848422 . . . . . . . 26712 4 8 . . 2 2 19 19 GLY N N 15 30.4576429461 5.5409931307 . . . . . . . 26712 4 9 . . 2 2 20 20 LYS N N 15 38.3622516292 1.87883803929 . . . . . . . 26712 4 10 . . 2 2 23 23 PHE N N 15 38.9476097184 5.9216231476 . . . . . . . 26712 4 11 . . 2 2 25 25 ASN N N 15 27.561819587 4.5143779306 . . . . . . . 26712 4 12 . . 2 2 26 26 CYS N N 15 43.9774528873 6.81674527955 . . . . . . . 26712 4 13 . . 2 2 27 27 TYR N N 15 47.9538150587 87.1217597386 . . . . . . . 26712 4 14 . . 2 2 29 29 SER N N 15 45.1911865155 7.19232434282 . . . . . . . 26712 4 15 . . 2 2 30 30 GLY N N 15 48.8563125206 8.40782731942 . . . . . . . 26712 4 16 . . 2 2 31 31 PHE N N 15 34.2486244783 3.42191279101 . . . . . . . 26712 4 17 . . 2 2 34 34 SER N N 15 42.8190266322 11.1570595473 . . . . . . . 26712 4 18 . . 2 2 35 35 ASP N N 15 40.6523517504 1.56210986204 . . . . . . . 26712 4 19 . . 2 2 37 37 GLU N N 15 40.9368277357 5.4952028218 . . . . . . . 26712 4 20 . . 2 2 38 38 VAL N N 15 6.52579151392 0.37595276423 . . . . . . . 26712 4 21 . . 2 2 40 40 LEU N N 15 37.9753100645 4.10908133471 . . . . . . . 26712 4 22 . . 2 2 41 41 LEU N N 15 44.2827539438 7.96921075616 . . . . . . . 26712 4 23 . . 2 2 43 43 ASN N N 15 27.9375084397 4.47997613625 . . . . . . . 26712 4 24 . . 2 2 44 44 GLY N N 15 48.0015365546 7.54215595055 . . . . . . . 26712 4 25 . . 2 2 45 45 GLU N N 15 36.9758459733 1.76015676019 . . . . . . . 26712 4 26 . . 2 2 46 46 ARG N N 15 39.2848780959 5.10257912037 . . . . . . . 26712 4 27 . . 2 2 47 47 ILE N N 15 47.6245411585 8.4184001839 . . . . . . . 26712 4 28 . . 2 2 48 48 GLU N N 15 31.9518287472 3.20668140421 . . . . . . . 26712 4 29 . . 2 2 49 49 LYS N N 15 12.6806025207 0.522954154827 . . . . . . . 26712 4 30 . . 2 2 51 51 GLU N N 15 39.222732444 3.70509502159 . . . . . . . 26712 4 31 . . 2 2 52 52 HIS N N 15 40.9842782175 2.29924469816 . . . . . . . 26712 4 32 . . 2 2 53 53 SER N N 15 53.0128979878 12.3458769221 . . . . . . . 26712 4 33 . . 2 2 54 54 ASP N N 15 50.653866081 17.1530433618 . . . . . . . 26712 4 34 . . 2 2 55 55 LEU N N 15 36.0368150605 6.46024029955 . . . . . . . 26712 4 35 . . 2 2 56 56 SER N N 15 45.9333205644 11.0841932889 . . . . . . . 26712 4 36 . . 2 2 57 57 PHE N N 15 24.2763187562 1.56354004879 . . . . . . . 26712 4 37 . . 2 2 58 58 SER N N 15 41.7478781622 7.51164375075 . . . . . . . 26712 4 38 . . 2 2 60 60 ASP N N 15 39.4671321037 3.63724232925 . . . . . . . 26712 4 39 . . 2 2 61 61 TRP N N 15 35.9973876817 5.53617375955 . . . . . . . 26712 4 40 . . 2 2 61 61 TRP NE1 N 15 30.4362900537 2.60254642137 . . . . . . . 26712 4 41 . . 2 2 62 62 SER N N 15 41.6359297301 5.42283909736 . . . . . . . 26712 4 42 . . 2 2 63 63 PHE N N 15 11.7243439594 1.36725021345 . . . . . . . 26712 4 43 . . 2 2 64 64 TYR N N 15 40.9819959231 8.96364279916 . . . . . . . 26712 4 44 . . 2 2 65 65 LEU N N 15 34.8717145714 5.69800673739 . . . . . . . 26712 4 45 . . 2 2 66 66 LEU N N 15 47.9117299789 61.2309441012 . . . . . . . 26712 4 46 . . 2 2 67 67 TYR N N 15 92.7404151296 409.891089749 . . . . . . . 26712 4 47 . . 2 2 68 68 TYR N N 15 39.3477756451 4.78659586745 . . . . . . . 26712 4 48 . . 2 2 69 69 THR N N 15 34.9694464412 4.95324864586 . . . . . . . 26712 4 49 . . 2 2 70 70 GLU N N 15 36.7960928031 2.16439074725 . . . . . . . 26712 4 50 . . 2 2 71 71 PHE N N 15 29.2474895109 3.41039262397 . . . . . . . 26712 4 51 . . 2 2 72 72 THR N N 15 29.593545058 2.49072220459 . . . . . . . 26712 4 52 . . 2 2 74 74 THR N N 15 40.5946129124 3.49775864652 . . . . . . . 26712 4 53 . . 2 2 75 75 GLU N N 15 1249.35468715 651.050226292 . . . . . . . 26712 4 54 . . 2 2 76 76 LYS N N 15 25.9814034641 1.61213119295 . . . . . . . 26712 4 55 . . 2 2 77 77 ASP N N 15 37.9103987208 1.80333322306 . . . . . . . 26712 4 56 . . 2 2 79 79 TYR N N 15 36.9376391537 3.75109550711 . . . . . . . 26712 4 57 . . 2 2 81 81 CYS N N 15 40.2899143244 4.77557742572 . . . . . . . 26712 4 58 . . 2 2 82 82 ARG N N 15 50.763987938 9.56601191523 . . . . . . . 26712 4 59 . . 2 2 83 83 VAL N N 15 39.2957684382 7.03835965199 . . . . . . . 26712 4 60 . . 2 2 84 84 ASN N N 15 38.9783537554 5.15848564454 . . . . . . . 26712 4 61 . . 2 2 85 85 HIS N N 15 22.3935983447 1.1825077216 . . . . . . . 26712 4 62 . . 2 2 86 86 VAL N N 15 42.7695472066 6.91263649578 . . . . . . . 26712 4 63 . . 2 2 87 87 THR N N 15 35.5529042919 4.20923403178 . . . . . . . 26712 4 64 . . 2 2 88 88 LEU N N 15 38.5715289795 3.01808194107 . . . . . . . 26712 4 65 . . 2 2 90 90 GLN N N 15 36.1455424568 1.1081494482 . . . . . . . 26712 4 66 . . 2 2 92 92 LYS N N 15 35.0915809106 4.01921040115 . . . . . . . 26712 4 67 . . 2 2 93 93 ILE N N 15 29.1832468041 1.57253773929 . . . . . . . 26712 4 68 . . 2 2 94 94 VAL N N 15 45.0145438791 7.86499338267 . . . . . . . 26712 4 69 . . 2 2 95 95 LYS N N 15 33.6318336717 3.25528406124 . . . . . . . 26712 4 70 . . 2 2 96 96 TRP N N 15 43.9520342275 5.72184788696 . . . . . . . 26712 4 71 . . 2 2 96 96 TRP NE1 N 15 31.1428959655 4.02878100661 . . . . . . . 26712 4 72 . . 2 2 97 97 ASP N N 15 38.6165195674 5.47212122177 . . . . . . . 26712 4 73 . . 2 2 98 98 ARG N N 15 28.5803470969 3.31372289435 . . . . . . . 26712 4 74 . . 2 2 99 99 ASP N N 15 35.1598522296 2.09081686694 . . . . . . . 26712 4 75 . . 2 2 100 100 MET N N 15 11.0313457502 0.504720035832 . . . . . . . 26712 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 26712 _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 . 26712 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 0.581192175794 0.00715510787734 . . . . . . . 26712 5 2 . . 1 1 203 203 HIS N N 15 0.575874882951 0.00701290459679 . . . . . . . 26712 5 3 . . 1 1 205 205 THR N N 15 0.561450226604 0.00665360720875 . . . . . . . 26712 5 4 . . 1 1 206 206 HIS N N 15 0.624312353067 0.00580513244082 . . . . . . . 26712 5 5 . . 1 1 209 209 ILE N N 15 0.629200908798 0.00813143040373 . . . . . . . 26712 5 6 . . 1 1 210 210 SER N N 15 0.875248723846 0.00945905752337 . . . . . . . 26712 5 7 . . 1 1 212 212 HIS N N 15 0.705718978775 0.0533716995002 . . . . . . . 26712 5 8 . . 1 1 213 213 GLU N N 15 0.738063621428 0.00724617336795 . . . . . . . 26712 5 9 . . 1 1 214 214 ALA N N 15 0.694092067354 0.00648618956457 . . . . . . . 26712 5 10 . . 1 1 215 215 THR N N 15 0.58202131783 0.00645730859542 . . . . . . . 26712 5 11 . . 1 1 218 218 CYS N N 15 0.596125021327 0.00970738369312 . . . . . . . 26712 5 12 . . 1 1 219 219 TRP N N 15 0.553213769245 0.00679169002697 . . . . . . . 26712 5 13 . . 1 1 220 220 ALA N N 15 0.579033030915 0.00686478685465 . . . . . . . 26712 5 14 . . 1 1 222 222 GLY N N 15 0.540996693828 0.00732597372689 . . . . . . . 26712 5 15 . . 1 1 223 223 PHE N N 15 0.703820363433 0.00887281766519 . . . . . . . 26712 5 16 . . 1 1 224 224 TYR N N 15 0.575661643519 0.00800087239103 . . . . . . . 26712 5 17 . . 1 1 228 228 ILE N N 15 0.614930029742 0.00517442026586 . . . . . . . 26712 5 18 . . 1 1 229 229 THR N N 15 0.689253613622 0.00581860550041 . . . . . . . 26712 5 19 . . 1 1 231 231 THR N N 15 0.616351850382 0.00626336089665 . . . . . . . 26712 5 20 . . 1 1 233 233 GLN N N 15 0.655092428041 0.00661324264653 . . . . . . . 26712 5 21 . . 1 1 234 234 ARG N N 15 0.682729277898 0.00633781506652 . . . . . . . 26712 5 22 . . 1 1 235 235 ASP N N 15 0.733149038966 0.00852900239628 . . . . . . . 26712 5 23 . . 1 1 236 236 GLY N N 15 0.775154861636 0.015746979832 . . . . . . . 26712 5 24 . . 1 1 237 237 GLU N N 15 0.761477361008 0.00571002963481 . . . . . . . 26712 5 25 . . 1 1 242 242 ASP N N 15 0.703669259276 0.0155158413442 . . . . . . . 26712 5 26 . . 1 1 243 243 THR N N 15 0.644638129091 0.0076685925252 . . . . . . . 26712 5 27 . . 1 1 244 244 GLU N N 15 0.569957158929 0.00672482095263 . . . . . . . 26712 5 28 . . 1 1 245 245 LEU N N 15 0.611016799887 0.00495656481678 . . . . . . . 26712 5 29 . . 1 1 246 246 VAL N N 15 0.594141779981 0.00634257672778 . . . . . . . 26712 5 30 . . 1 1 247 247 GLU N N 15 0.613917147903 0.00571940290191 . . . . . . . 26712 5 31 . . 1 1 249 249 ARG N N 15 0.563744777033 0.0079180678112 . . . . . . . 26712 5 32 . . 1 1 251 251 ALA N N 15 0.628404363755 0.00803416197733 . . . . . . . 26712 5 33 . . 1 1 252 252 GLY N N 15 0.723609061488 0.0156321197263 . . . . . . . 26712 5 34 . . 1 1 253 253 ASP N N 15 0.667854022554 0.0141659406788 . . . . . . . 26712 5 35 . . 1 1 254 254 ARG N N 15 0.857974000208 0.068356447809 . . . . . . . 26712 5 36 . . 1 1 255 255 THR N N 15 0.719863367663 0.0157591190949 . . . . . . . 26712 5 37 . . 1 1 256 256 PHE N N 15 0.630536949292 0.00790919719188 . . . . . . . 26712 5 38 . . 1 1 257 257 GLN N N 15 0.545743115061 0.00684955188082 . . . . . . . 26712 5 39 . . 1 1 259 259 TRP N N 15 0.505142193385 0.0067119829238 . . . . . . . 26712 5 40 . . 1 1 260 260 ALA N N 15 0.687703362055 0.00724505701262 . . . . . . . 26712 5 41 . . 1 1 261 261 ALA N N 15 0.565431716855 0.00781440589917 . . . . . . . 26712 5 42 . . 1 1 263 263 VAL N N 15 0.608607925545 0.00525134938166 . . . . . . . 26712 5 43 . . 1 1 267 267 GLY N N 15 0.683051657002 0.00615989601211 . . . . . . . 26712 5 44 . . 1 1 269 269 GLU N N 15 0.684381096299 0.00730185073492 . . . . . . . 26712 5 45 . . 1 1 270 270 GLN N N 15 0.722413921544 0.00850001637091 . . . . . . . 26712 5 46 . . 1 1 272 272 TYR N N 15 0.679541673056 0.00704373710766 . . . . . . . 26712 5 47 . . 1 1 273 273 THR N N 15 0.686805682215 0.00602370078084 . . . . . . . 26712 5 48 . . 1 1 275 275 HIS N N 15 0.672369210616 0.00700404449946 . . . . . . . 26712 5 49 . . 1 1 276 276 VAL N N 15 0.625654261883 0.00651000057813 . . . . . . . 26712 5 50 . . 1 1 277 277 GLN N N 15 0.653178903366 0.00572574454966 . . . . . . . 26712 5 51 . . 1 1 278 278 HIS N N 15 0.577032408575 0.00569201897659 . . . . . . . 26712 5 52 . . 1 1 279 279 GLU N N 15 0.630335377315 0.00638996730691 . . . . . . . 26712 5 53 . . 1 1 280 280 GLY N N 15 0.612070197973 0.0102356214497 . . . . . . . 26712 5 54 . . 1 1 287 287 LEU N N 15 0.643049419724 0.0065387605621 . . . . . . . 26712 5 55 . . 1 1 288 288 ARG N N 15 0.698009844363 0.00397943721375 . . . . . . . 26712 5 56 . . 1 1 289 289 TRP N N 15 0.718904308612 0.00518654708882 . . . . . . . 26712 5 57 . . 1 1 290 290 GLU N N 15 0.731711632449 0.00359823840251 . . . . . . . 26712 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 26712 _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 . 26712 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 28.5052362632 0.575086523243 . . . . . . . 26712 6 2 . . 1 1 203 203 HIS N N 15 28.9470526941 0.533690556953 . . . . . . . 26712 6 3 . . 1 1 205 205 THR N N 15 31.2845918022 0.535997599693 . . . . . . . 26712 6 4 . . 1 1 206 206 HIS N N 15 26.2055635828 0.29901610056 . . . . . . . 26712 6 5 . . 1 1 209 209 ILE N N 15 24.3841072708 0.442869077519 . . . . . . . 26712 6 6 . . 1 1 210 210 SER N N 15 20.0528072158 0.260956276086 . . . . . . . 26712 6 7 . . 1 1 212 212 HIS N N 15 19.0820831363 1.15390559233 . . . . . . . 26712 6 8 . . 1 1 213 213 GLU N N 15 23.5128338904 0.340250032758 . . . . . . . 26712 6 9 . . 1 1 214 214 ALA N N 15 23.2542603729 0.343972493165 . . . . . . . 26712 6 10 . . 1 1 215 215 THR N N 15 28.0495577121 0.367092911964 . . . . . . . 26712 6 11 . . 1 1 218 218 CYS N N 15 26.4552987973 0.684463912941 . . . . . . . 26712 6 12 . . 1 1 219 219 TRP N N 15 30.4379072148 0.600269431695 . . . . . . . 26712 6 13 . . 1 1 220 220 ALA N N 15 28.7043185014 0.604457991714 . . . . . . . 26712 6 14 . . 1 1 222 222 GLY N N 15 23.1623292598 0.375292550186 . . . . . . . 26712 6 15 . . 1 1 223 223 PHE N N 15 24.3077841745 0.488280506136 . . . . . . . 26712 6 16 . . 1 1 224 224 TYR N N 15 28.9453483796 0.642528542152 . . . . . . . 26712 6 17 . . 1 1 228 228 ILE N N 15 28.1929719079 0.320061324346 . . . . . . . 26712 6 18 . . 1 1 229 229 THR N N 15 7.60009452433 0.0705138585867 . . . . . . . 26712 6 19 . . 1 1 231 231 THR N N 15 27.717483872 0.381405737851 . . . . . . . 26712 6 20 . . 1 1 233 233 GLN N N 15 26.0897457103 0.354014994761 . . . . . . . 26712 6 21 . . 1 1 234 234 ARG N N 15 26.5512041531 0.288688555966 . . . . . . . 26712 6 22 . . 1 1 235 235 ASP N N 15 24.4994321159 0.301573003756 . . . . . . . 26712 6 23 . . 1 1 236 236 GLY N N 15 22.1905602827 0.538447971217 . . . . . . . 26712 6 24 . . 1 1 237 237 GLU N N 15 25.720531753 0.262455344971 . . . . . . . 26712 6 25 . . 1 1 242 242 ASP N N 15 25.8396625864 0.464751441905 . . . . . . . 26712 6 26 . . 1 1 243 243 THR N N 15 24.8262390148 0.298898432438 . . . . . . . 26712 6 27 . . 1 1 244 244 GLU N N 15 28.5249518835 0.49596776787 . . . . . . . 26712 6 28 . . 1 1 245 245 LEU N N 15 24.7039484019 0.238335319502 . . . . . . . 26712 6 29 . . 1 1 246 246 VAL N N 15 26.3509517775 0.352751508256 . . . . . . . 26712 6 30 . . 1 1 247 247 GLU N N 15 23.5250626386 0.251906740804 . . . . . . . 26712 6 31 . . 1 1 249 249 ARG N N 15 33.350602745 0.762034224855 . . . . . . . 26712 6 32 . . 1 1 251 251 ALA N N 15 28.5941343974 0.509693693748 . . . . . . . 26712 6 33 . . 1 1 252 252 GLY N N 15 26.3028925094 0.773032622973 . . . . . . . 26712 6 34 . . 1 1 253 253 ASP N N 15 30.7204161351 0.83033909367 . . . . . . . 26712 6 35 . . 1 1 254 254 ARG N N 15 21.0944922017 0.878787434694 . . . . . . . 26712 6 36 . . 1 1 255 255 THR N N 15 22.6064489303 0.697281488783 . . . . . . . 26712 6 37 . . 1 1 256 256 PHE N N 15 29.0845888953 0.571951667282 . . . . . . . 26712 6 38 . . 1 1 257 257 GLN N N 15 29.1491520555 0.530901976127 . . . . . . . 26712 6 39 . . 1 1 259 259 TRP N N 15 29.6705558407 0.614012023324 . . . . . . . 26712 6 40 . . 1 1 260 260 ALA N N 15 26.7962032157 0.573720542309 . . . . . . . 26712 6 41 . . 1 1 261 261 ALA N N 15 29.7678369095 0.630144051064 . . . . . . . 26712 6 42 . . 1 1 263 263 VAL N N 15 22.5310553493 0.270542495099 . . . . . . . 26712 6 43 . . 1 1 267 267 GLY N N 15 23.8097160105 0.277282797015 . . . . . . . 26712 6 44 . . 1 1 269 269 GLU N N 15 25.4899931226 0.407019979696 . . . . . . . 26712 6 45 . . 1 1 270 270 GLN N N 15 23.8066495819 0.359876569757 . . . . . . . 26712 6 46 . . 1 1 272 272 TYR N N 15 23.6104322082 0.324315026081 . . . . . . . 26712 6 47 . . 1 1 273 273 THR N N 15 22.6685664166 0.29655515368 . . . . . . . 26712 6 48 . . 1 1 275 275 HIS N N 15 24.937204766 0.427265812513 . . . . . . . 26712 6 49 . . 1 1 276 276 VAL N N 15 26.9702811954 0.464802848048 . . . . . . . 26712 6 50 . . 1 1 277 277 GLN N N 15 27.196635477 0.340880390361 . . . . . . . 26712 6 51 . . 1 1 278 278 HIS N N 15 24.8576066081 0.325773308734 . . . . . . . 26712 6 52 . . 1 1 279 279 GLU N N 15 24.7094156353 0.329855795576 . . . . . . . 26712 6 53 . . 1 1 280 280 GLY N N 15 28.0685718845 0.701885165749 . . . . . . . 26712 6 54 . . 1 1 287 287 LEU N N 15 25.4715838212 0.386153903914 . . . . . . . 26712 6 55 . . 1 1 288 288 ARG N N 15 23.3576511212 0.199448938481 . . . . . . . 26712 6 56 . . 1 1 289 289 TRP N N 15 22.2108945018 0.189374221634 . . . . . . . 26712 6 57 . . 1 1 290 290 GLU N N 15 18.7603548426 0.10844870072 . . . . . . . 26712 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 26712 _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 . 26712 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 0.430176107526 0.00641938580309 . . . . . . . 26712 7 2 . . 1 1 203 203 HIS N N 15 0.445609170911 0.00652906800066 . . . . . . . 26712 7 3 . . 1 1 205 205 THR N N 15 0.430377565796 0.00585763761698 . . . . . . . 26712 7 4 . . 1 1 206 206 HIS N N 15 0.483505901829 0.00533337143448 . . . . . . . 26712 7 5 . . 1 1 209 209 ILE N N 15 0.491308617117 0.00767612697656 . . . . . . . 26712 7 6 . . 1 1 210 210 SER N N 15 0.674362673646 0.00817135237017 . . . . . . . 26712 7 7 . . 1 1 212 212 HIS N N 15 0.503011083992 0.0304931467693 . . . . . . . 26712 7 8 . . 1 1 213 213 GLU N N 15 0.488355883947 0.00646989822198 . . . . . . . 26712 7 9 . . 1 1 214 214 ALA N N 15 0.47732588345 0.00620378028498 . . . . . . . 26712 7 10 . . 1 1 215 215 THR N N 15 0.437141158581 0.00499211802599 . . . . . . . 26712 7 11 . . 1 1 218 218 CYS N N 15 0.463412798092 0.00860144995932 . . . . . . . 26712 7 12 . . 1 1 219 219 TRP N N 15 0.410304019147 0.00624746990703 . . . . . . . 26712 7 13 . . 1 1 220 220 ALA N N 15 0.4333574363 0.00631034995117 . . . . . . . 26712 7 14 . . 1 1 222 222 GLY N N 15 0.434701646418 0.00615853078105 . . . . . . . 26712 7 15 . . 1 1 223 223 PHE N N 15 0.497215132454 0.00658436667974 . . . . . . . 26712 7 16 . . 1 1 224 224 TYR N N 15 0.433126450714 0.00674733328836 . . . . . . . 26712 7 17 . . 1 1 228 228 ILE N N 15 0.477021500205 0.00448042514837 . . . . . . . 26712 7 18 . . 1 1 229 229 THR N N 15 0.832478238681 0.00558255266186 . . . . . . . 26712 7 19 . . 1 1 231 231 THR N N 15 0.466053264524 0.00524840135172 . . . . . . . 26712 7 20 . . 1 1 233 233 GLN N N 15 0.44878862479 0.00548061875512 . . . . . . . 26712 7 21 . . 1 1 234 234 ARG N N 15 0.449073454611 0.00508183778755 . . . . . . . 26712 7 22 . . 1 1 235 235 ASP N N 15 0.55651427606 0.00746720881183 . . . . . . . 26712 7 23 . . 1 1 236 236 GLY N N 15 0.532363922415 0.0134467710586 . . . . . . . 26712 7 24 . . 1 1 237 237 GLU N N 15 0.542223298621 0.00518050553383 . . . . . . . 26712 7 25 . . 1 1 242 242 ASP N N 15 0.55325998615 0.010083542913 . . . . . . . 26712 7 26 . . 1 1 243 243 THR N N 15 0.506049367489 0.00582092748601 . . . . . . . 26712 7 27 . . 1 1 244 244 GLU N N 15 0.474936913743 0.00623757393936 . . . . . . . 26712 7 28 . . 1 1 245 245 LEU N N 15 0.485289750597 0.00459655130419 . . . . . . . 26712 7 29 . . 1 1 246 246 VAL N N 15 0.454091634355 0.00504951673764 . . . . . . . 26712 7 30 . . 1 1 247 247 GLU N N 15 0.508304810152 0.0048865920314 . . . . . . . 26712 7 31 . . 1 1 249 249 ARG N N 15 0.44820037866 0.00740639059308 . . . . . . . 26712 7 32 . . 1 1 251 251 ALA N N 15 0.463195431039 0.00713210057551 . . . . . . . 26712 7 33 . . 1 1 252 252 GLY N N 15 0.534747471969 0.0125144546448 . . . . . . . 26712 7 34 . . 1 1 253 253 ASP N N 15 0.531158246056 0.00970464187959 . . . . . . . 26712 7 35 . . 1 1 254 254 ARG N N 15 0.650567117517 0.0263444008761 . . . . . . . 26712 7 36 . . 1 1 255 255 THR N N 15 0.579075502863 0.0119286921285 . . . . . . . 26712 7 37 . . 1 1 256 256 PHE N N 15 0.472806176187 0.0070378241103 . . . . . . . 26712 7 38 . . 1 1 257 257 GLN N N 15 0.402080761025 0.00564532068405 . . . . . . . 26712 7 39 . . 1 1 259 259 TRP N N 15 0.404657470007 0.00613945979321 . . . . . . . 26712 7 40 . . 1 1 260 260 ALA N N 15 0.433890062309 0.00659195917105 . . . . . . . 26712 7 41 . . 1 1 261 261 ALA N N 15 0.427699924615 0.00814247026637 . . . . . . . 26712 7 42 . . 1 1 263 263 VAL N N 15 0.437629810627 0.00462374836199 . . . . . . . 26712 7 43 . . 1 1 267 267 GLY N N 15 0.48169432849 0.00541613597196 . . . . . . . 26712 7 44 . . 1 1 269 269 GLU N N 15 0.455259178683 0.0073971839715 . . . . . . . 26712 7 45 . . 1 1 270 270 GLN N N 15 0.488512311776 0.00745817351191 . . . . . . . 26712 7 46 . . 1 1 272 272 TYR N N 15 0.470334588563 0.00637534334019 . . . . . . . 26712 7 47 . . 1 1 273 273 THR N N 15 0.476096789751 0.00564128788161 . . . . . . . 26712 7 48 . . 1 1 275 275 HIS N N 15 0.489243471437 0.00647179906422 . . . . . . . 26712 7 49 . . 1 1 276 276 VAL N N 15 0.436916764314 0.00598226928863 . . . . . . . 26712 7 50 . . 1 1 277 277 GLN N N 15 0.460215729872 0.00559948218557 . . . . . . . 26712 7 51 . . 1 1 278 278 HIS N N 15 0.45192361124 0.00483825808192 . . . . . . . 26712 7 52 . . 1 1 279 279 GLU N N 15 0.49717707024 0.00681943910242 . . . . . . . 26712 7 53 . . 1 1 280 280 GLY N N 15 0.495600282585 0.00959460010457 . . . . . . . 26712 7 54 . . 1 1 287 287 LEU N N 15 0.475346304332 0.00646994792453 . . . . . . . 26712 7 55 . . 1 1 288 288 ARG N N 15 0.4872354526 0.00393566181625 . . . . . . . 26712 7 56 . . 1 1 289 289 TRP N N 15 0.537531369815 0.00461971197033 . . . . . . . 26712 7 57 . . 1 1 290 290 GLU N N 15 0.580187502629 0.00353700467504 . . . . . . . 26712 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 26712 _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 . 26712 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 29.1938715459 0.552074660075 . . . . . . . 26712 8 2 . . 1 1 203 203 HIS N N 15 26.1363328898 0.432829866825 . . . . . . . 26712 8 3 . . 1 1 205 205 THR N N 15 32.1418512403 0.509211947244 . . . . . . . 26712 8 4 . . 1 1 206 206 HIS N N 15 19.8181034984 0.184557154686 . . . . . . . 26712 8 5 . . 1 1 209 209 ILE N N 15 25.9282965515 0.343478622887 . . . . . . . 26712 8 6 . . 1 1 210 210 SER N N 15 20.1708101724 0.212008133833 . . . . . . . 26712 8 7 . . 1 1 212 212 HIS N N 15 23.5769737351 0.698731320122 . . . . . . . 26712 8 8 . . 1 1 213 213 GLU N N 15 23.4519492933 0.22769949524 . . . . . . . 26712 8 9 . . 1 1 214 214 ALA N N 15 24.1809316825 0.264384619741 . . . . . . . 26712 8 10 . . 1 1 215 215 THR N N 15 28.5564925163 0.322985412697 . . . . . . . 26712 8 11 . . 1 1 218 218 CYS N N 15 29.5199788152 0.802922546343 . . . . . . . 26712 8 12 . . 1 1 219 219 TRP N N 15 32.1746125098 0.574887385045 . . . . . . . 26712 8 13 . . 1 1 220 220 ALA N N 15 30.5801054565 0.585464358597 . . . . . . . 26712 8 14 . . 1 1 222 222 GLY N N 15 24.1140764903 0.343391977046 . . . . . . . 26712 8 15 . . 1 1 223 223 PHE N N 15 24.5425353392 0.419624017525 . . . . . . . 26712 8 16 . . 1 1 224 224 TYR N N 15 31.3962255414 0.545928061761 . . . . . . . 26712 8 17 . . 1 1 228 228 ILE N N 15 29.8117309478 0.316159031974 . . . . . . . 26712 8 18 . . 1 1 229 229 THR N N 15 9.08280548356 0.0592063470754 . . . . . . . 26712 8 19 . . 1 1 231 231 THR N N 15 27.3974246468 0.318852423229 . . . . . . . 26712 8 20 . . 1 1 233 233 GLN N N 15 26.1508975606 0.316970019132 . . . . . . . 26712 8 21 . . 1 1 234 234 ARG N N 15 26.2020253339 0.233357048423 . . . . . . . 26712 8 22 . . 1 1 235 235 ASP N N 15 25.3509238131 0.24549942302 . . . . . . . 26712 8 23 . . 1 1 236 236 GLY N N 15 23.4494832839 0.348368204736 . . . . . . . 26712 8 24 . . 1 1 237 237 GLU N N 15 26.4412317369 0.215164659277 . . . . . . . 26712 8 25 . . 1 1 242 242 ASP N N 15 28.2460904371 0.367392106001 . . . . . . . 26712 8 26 . . 1 1 243 243 THR N N 15 26.0631057105 0.254368259248 . . . . . . . 26712 8 27 . . 1 1 244 244 GLU N N 15 32.0185290011 0.592197797036 . . . . . . . 26712 8 28 . . 1 1 245 245 LEU N N 15 26.7633000328 0.292246540648 . . . . . . . 26712 8 29 . . 1 1 246 246 VAL N N 15 28.1407886971 0.371516679814 . . . . . . . 26712 8 30 . . 1 1 247 247 GLU N N 15 26.827882977 0.273853546862 . . . . . . . 26712 8 31 . . 1 1 249 249 ARG N N 15 36.3871596584 0.803184004697 . . . . . . . 26712 8 32 . . 1 1 251 251 ALA N N 15 30.7965862354 0.469491139467 . . . . . . . 26712 8 33 . . 1 1 252 252 GLY N N 15 30.7822343196 0.70851165102 . . . . . . . 26712 8 34 . . 1 1 253 253 ASP N N 15 33.5874248365 0.624590705428 . . . . . . . 26712 8 35 . . 1 1 254 254 ARG N N 15 23.3440160207 0.526676066883 . . . . . . . 26712 8 36 . . 1 1 255 255 THR N N 15 24.3803805267 0.498294771796 . . . . . . . 26712 8 37 . . 1 1 256 256 PHE N N 15 31.0228622556 0.553863266939 . . . . . . . 26712 8 38 . . 1 1 257 257 GLN N N 15 30.3703429095 0.467754161703 . . . . . . . 26712 8 39 . . 1 1 259 259 TRP N N 15 30.8199194292 0.581460336141 . . . . . . . 26712 8 40 . . 1 1 260 260 ALA N N 15 29.1659827493 0.498201159176 . . . . . . . 26712 8 41 . . 1 1 261 261 ALA N N 15 31.9474952411 0.826617280537 . . . . . . . 26712 8 42 . . 1 1 263 263 VAL N N 15 17.799263726 0.184975152563 . . . . . . . 26712 8 43 . . 1 1 267 267 GLY N N 15 23.2072514128 0.227986481087 . . . . . . . 26712 8 44 . . 1 1 269 269 GLU N N 15 25.7299341951 0.414606151138 . . . . . . . 26712 8 45 . . 1 1 270 270 GLN N N 15 24.9161099797 0.256393952763 . . . . . . . 26712 8 46 . . 1 1 272 272 TYR N N 15 30.7819520248 0.434060488723 . . . . . . . 26712 8 47 . . 1 1 273 273 THR N N 15 25.2639994594 0.261043112627 . . . . . . . 26712 8 48 . . 1 1 275 275 HIS N N 15 27.6892394755 0.425356852682 . . . . . . . 26712 8 49 . . 1 1 276 276 VAL N N 15 23.9146091146 0.340368663424 . . . . . . . 26712 8 50 . . 1 1 277 277 GLN N N 15 25.9866651208 0.276107861329 . . . . . . . 26712 8 51 . . 1 1 278 278 HIS N N 15 27.3279821272 0.311585892249 . . . . . . . 26712 8 52 . . 1 1 279 279 GLU N N 15 23.1333968809 0.267688988231 . . . . . . . 26712 8 53 . . 1 1 280 280 GLY N N 15 30.2704707104 0.806186764854 . . . . . . . 26712 8 54 . . 1 1 287 287 LEU N N 15 25.7918882657 0.399049643758 . . . . . . . 26712 8 55 . . 1 1 288 288 ARG N N 15 23.9862743466 0.190589598872 . . . . . . . 26712 8 56 . . 1 1 289 289 TRP N N 15 22.6252264175 0.156415988834 . . . . . . . 26712 8 57 . . 1 1 290 290 GLU N N 15 19.6183123552 0.1018320544 . . . . . . . 26712 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 26712 _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 . 26712 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 19 19 SER N N 15 0.540715123034 0.00698893182246 . . . . . . . 26712 9 2 . . 1 1 21 21 ARG N N 15 0.59571951248 0.0330027806027 . . . . . . . 26712 9 3 . . 1 1 22 22 TYR N N 15 0.590368959059 0.0157508596341 . . . . . . . 26712 9 4 . . 1 1 27 27 VAL N N 15 0.599623562341 0.0284359288827 . . . . . . . 26712 9 5 . . 1 1 28 28 SER N N 15 0.655105619085 0.0109047104757 . . . . . . . 26712 9 6 . . 1 1 31 31 GLY N N 15 0.789135980697 0.134870299043 . . . . . . . 26712 9 7 . . 1 1 33 33 GLY N N 15 0.56677757533 0.0755938713773 . . . . . . . 26712 9 8 . . 1 1 34 34 GLU N N 15 0.72801096327 0.0141995093492 . . . . . . . 26712 9 9 . . 1 1 36 36 ARG N N 15 0.631002411501 0.00907887693521 . . . . . . . 26712 9 10 . . 1 1 37 37 PHE N N 15 0.640658426478 0.0151400628488 . . . . . . . 26712 9 11 . . 1 1 38 38 ILE N N 15 0.636832850937 0.0113579869389 . . . . . . . 26712 9 12 . . 1 1 39 39 THR N N 15 0.632229792527 0.0118382073885 . . . . . . . 26712 9 13 . . 1 1 41 41 GLY N N 15 0.575347390055 0.012327869347 . . . . . . . 26712 9 14 . . 1 1 44 44 ASP N N 15 0.551815910472 0.00602166872429 . . . . . . . 26712 9 15 . . 1 1 45 45 ASP N N 15 0.55583418236 0.0102437278288 . . . . . . . 26712 9 16 . . 1 1 46 46 THR N N 15 0.589157018166 0.0091946764668 . . . . . . . 26712 9 17 . . 1 1 47 47 LEU N N 15 0.539664196514 0.00602877404685 . . . . . . . 26712 9 18 . . 1 1 49 49 VAL N N 15 0.634394414562 0.0373250454746 . . . . . . . 26712 9 19 . . 1 1 50 50 ARG N N 15 0.614486973362 0.0123245879623 . . . . . . . 26712 9 20 . . 1 1 51 51 PHE N N 15 0.577271085605 0.0117790016734 . . . . . . . 26712 9 21 . . 1 1 52 52 ASP N N 15 0.512757318456 0.00678990265262 . . . . . . . 26712 9 22 . . 1 1 53 53 SER N N 15 0.576269761991 0.0108171393947 . . . . . . . 26712 9 23 . . 1 1 54 54 ASP N N 15 0.61495375944 0.009313713702 . . . . . . . 26712 9 24 . . 1 1 55 55 ALA N N 15 0.67038127505 0.00490415451426 . . . . . . . 26712 9 25 . . 1 1 56 56 ALA N N 15 0.616548953293 0.0440455326775 . . . . . . . 26712 9 26 . . 1 1 57 57 SER N N 15 0.614325484055 0.0448201158565 . . . . . . . 26712 9 27 . . 1 1 64 64 ALA N N 15 0.540638441554 0.0126717115417 . . . . . . . 26712 9 28 . . 1 1 66 66 TRP N N 15 0.631536424796 0.0127068545816 . . . . . . . 26712 9 29 . . 1 1 67 67 ILE N N 15 0.606350644758 0.0158765034539 . . . . . . . 26712 9 30 . . 1 1 68 68 GLU N N 15 0.608298426503 0.0152652313806 . . . . . . . 26712 9 31 . . 1 1 69 69 GLN N N 15 0.681012852468 0.0137506543036 . . . . . . . 26712 9 32 . . 1 1 70 70 GLU N N 15 0.591617233107 0.00655279157199 . . . . . . . 26712 9 33 . . 1 1 74 74 TYR N N 15 0.627778479597 0.0091334235492 . . . . . . . 26712 9 34 . . 1 1 75 75 TRP N N 15 0.615787154907 0.0164553139773 . . . . . . . 26712 9 35 . . 1 1 77 77 ARG N N 15 0.615173685018 0.0261857783324 . . . . . . . 26712 9 36 . . 1 1 79 79 THR N N 15 0.684078185911 0.0833231552427 . . . . . . . 26712 9 37 . . 1 1 82 82 CYS N N 15 0.668292531818 0.0603633143602 . . . . . . . 26712 9 38 . . 1 1 83 83 LYS N N 15 0.583987937094 0.0379830541049 . . . . . . . 26712 9 39 . . 1 1 84 84 ALA N N 15 0.577321051268 0.0390678624247 . . . . . . . 26712 9 40 . . 1 1 85 85 LYS N N 15 0.717475190132 0.0058881724631 . . . . . . . 26712 9 41 . . 1 1 86 86 ALA N N 15 0.641951383778 0.0446307856447 . . . . . . . 26712 9 42 . . 1 1 87 87 GLN N N 15 0.575670509203 0.0377433309092 . . . . . . . 26712 9 43 . . 1 1 88 88 THR N N 15 0.635304598948 0.047649358349 . . . . . . . 26712 9 44 . . 1 1 90 90 ARG N N 15 0.506804429095 0.00783679554875 . . . . . . . 26712 9 45 . . 1 1 91 91 GLU N N 15 0.625113163563 0.0389687492154 . . . . . . . 26712 9 46 . . 1 1 92 92 ASP N N 15 0.667014049971 0.0366688106694 . . . . . . . 26712 9 47 . . 1 1 93 93 LEU N N 15 0.598199899289 0.0300580250014 . . . . . . . 26712 9 48 . . 1 1 94 94 ARG N N 15 0.627265519418 0.0166799790811 . . . . . . . 26712 9 49 . . 1 1 97 97 LEU N N 15 0.618595503914 0.0123719100783 . . . . . . . 26712 9 50 . . 1 1 98 98 ARG N N 15 0.601768520134 0.00947426364095 . . . . . . . 26712 9 51 . . 1 1 99 99 TYR N N 15 0.603159217897 0.0151278794113 . . . . . . . 26712 9 52 . . 1 1 100 100 TYR N N 15 0.595685074883 0.0121361506047 . . . . . . . 26712 9 53 . . 1 1 102 102 GLN N N 15 0.615338346327 0.00726879403889 . . . . . . . 26712 9 54 . . 1 1 106 106 GLY N N 15 0.821135313551 0.110066744658 . . . . . . . 26712 9 55 . . 1 1 107 107 SER N N 15 0.559855954956 0.0324617617001 . . . . . . . 26712 9 56 . . 1 1 108 108 HIS N N 15 0.633859027007 0.0104281732892 . . . . . . . 26712 9 57 . . 1 1 109 109 THR N N 15 0.609126967292 0.00909090738982 . . . . . . . 26712 9 58 . . 1 1 110 110 LEU N N 15 0.6229666939 0.0266189270474 . . . . . . . 26712 9 59 . . 1 1 113 113 MET N N 15 0.578717258915 0.0648742843616 . . . . . . . 26712 9 60 . . 1 1 115 115 GLY N N 15 0.634412767276 0.0394936258584 . . . . . . . 26712 9 61 . . 1 1 116 116 CYS N N 15 0.582291351803 0.0300169613547 . . . . . . . 26712 9 62 . . 1 1 117 117 ASP N N 15 0.574108978946 0.0127672872064 . . . . . . . 26712 9 63 . . 1 1 118 118 VAL N N 15 0.593585710411 0.0112086605628 . . . . . . . 26712 9 64 . . 1 1 119 119 GLY N N 15 0.536522579146 0.00822311988075 . . . . . . . 26712 9 65 . . 1 1 121 121 ASP N N 15 0.558654022736 0.00654488767599 . . . . . . . 26712 9 66 . . 1 1 122 122 GLY N N 15 0.617383013732 0.0084135306288 . . . . . . . 26712 9 67 . . 1 1 123 123 ARG N N 15 0.63904729035 0.00583904919693 . . . . . . . 26712 9 68 . . 1 1 125 125 LEU N N 15 0.596490688454 0.0141868548125 . . . . . . . 26712 9 69 . . 1 1 126 126 ARG N N 15 0.642808547611 0.0313272483248 . . . . . . . 26712 9 70 . . 1 1 127 127 GLY N N 15 0.585960674536 0.0372267046438 . . . . . . . 26712 9 71 . . 1 1 128 128 TYR N N 15 0.547723519342 0.04735362364 . . . . . . . 26712 9 72 . . 1 1 129 129 HIS N N 15 0.577064290635 0.0580011837871 . . . . . . . 26712 9 73 . . 1 1 130 130 GLN N N 15 0.560534451257 0.098907060077 . . . . . . . 26712 9 74 . . 1 1 132 132 ALA N N 15 0.624193747285 0.0532892390176 . . . . . . . 26712 9 75 . . 1 1 134 134 ASP N N 15 0.611242264547 0.0138341072569 . . . . . . . 26712 9 76 . . 1 1 135 135 GLY N N 15 0.541557264941 0.0561350263649 . . . . . . . 26712 9 77 . . 1 1 139 139 ILE N N 15 0.626316498371 0.0679524737131 . . . . . . . 26712 9 78 . . 1 1 140 140 ALA N N 15 0.628975047696 0.0718396894993 . . . . . . . 26712 9 79 . . 1 1 141 141 LEU N N 15 0.609842567113 0.0305436885382 . . . . . . . 26712 9 80 . . 1 1 143 143 GLU N N 15 0.582739252124 0.0240989925921 . . . . . . . 26712 9 81 . . 1 1 144 144 ASP N N 15 0.67325397508 0.00784612054698 . . . . . . . 26712 9 82 . . 1 1 145 145 LEU N N 15 0.577061220227 0.027661681281 . . . . . . . 26712 9 83 . . 1 1 146 146 SER N N 15 0.570157191423 0.0326409595818 . . . . . . . 26712 9 84 . . 1 1 147 147 SER N N 15 0.480657182413 0.0320860312813 . . . . . . . 26712 9 85 . . 1 1 149 149 THR N N 15 0.590234847511 0.0106096007412 . . . . . . . 26712 9 86 . . 1 1 150 150 ALA N N 15 0.632191665076 0.0122331666987 . . . . . . . 26712 9 87 . . 1 1 151 151 ALA N N 15 0.70216329557 0.0139754981614 . . . . . . . 26712 9 88 . . 1 1 152 152 ASP N N 15 0.607723871251 0.00644968473485 . . . . . . . 26712 9 89 . . 1 1 153 153 THR N N 15 0.632261573928 0.0626813012762 . . . . . . . 26712 9 90 . . 1 1 154 154 ALA N N 15 0.634477403602 0.0102375267126 . . . . . . . 26712 9 91 . . 1 1 155 155 ALA N N 15 0.599496617212 0.031592545018 . . . . . . . 26712 9 92 . . 1 1 156 156 GLN N N 15 0.611684834992 0.0149833376318 . . . . . . . 26712 9 93 . . 1 1 157 157 ILE N N 15 0.542714891903 0.0279075719958 . . . . . . . 26712 9 94 . . 1 1 158 158 THR N N 15 0.607852219384 0.033066866055 . . . . . . . 26712 9 95 . . 1 1 160 160 ARG N N 15 0.579714373285 0.0150288992327 . . . . . . . 26712 9 96 . . 1 1 161 161 LYS N N 15 0.574881794106 0.0123246558737 . . . . . . . 26712 9 97 . . 1 1 163 163 GLU N N 15 0.630707819121 0.0281008542703 . . . . . . . 26712 9 98 . . 1 1 164 164 ALA N N 15 0.47557591692 0.0231894493209 . . . . . . . 26712 9 99 . . 1 1 165 165 ALA N N 15 0.571776951005 0.0309879729122 . . . . . . . 26712 9 100 . . 1 1 167 167 VAL N N 15 0.709151619031 0.0390059140488 . . . . . . . 26712 9 101 . . 1 1 168 168 ALA N N 15 0.599170417978 0.0331798196753 . . . . . . . 26712 9 102 . . 1 1 170 170 GLN N N 15 0.592160979534 0.0306558013094 . . . . . . . 26712 9 103 . . 1 1 172 172 ARG N N 15 0.54491589615 0.0485975500577 . . . . . . . 26712 9 104 . . 1 1 173 173 ALA N N 15 0.635753950002 0.0326688285079 . . . . . . . 26712 9 105 . . 1 1 174 174 TYR N N 15 0.623131508565 0.0346399232085 . . . . . . . 26712 9 106 . . 1 1 175 175 LEU N N 15 0.650773681547 0.0660314776442 . . . . . . . 26712 9 107 . . 1 1 176 176 GLU N N 15 0.527318667106 0.0337342512977 . . . . . . . 26712 9 108 . . 1 1 177 177 GLY N N 15 0.571166719857 0.00982010683287 . . . . . . . 26712 9 109 . . 1 1 178 178 GLU N N 15 0.565819740596 0.0130696793088 . . . . . . . 26712 9 110 . . 1 1 179 179 CYS N N 15 0.589016433246 0.042354510047 . . . . . . . 26712 9 111 . . 1 1 180 180 VAL N N 15 0.529583004939 0.012561819347 . . . . . . . 26712 9 112 . . 1 1 181 181 GLU N N 15 0.612122854266 0.0130775918077 . . . . . . . 26712 9 113 . . 1 1 185 185 ARG N N 15 0.586390958281 0.0146245040421 . . . . . . . 26712 9 114 . . 1 1 187 187 LEU N N 15 0.540639744774 0.0140681639378 . . . . . . . 26712 9 115 . . 1 1 188 188 GLU N N 15 0.565998604419 0.0278003839455 . . . . . . . 26712 9 116 . . 1 1 191 191 LYS N N 15 0.623266488663 0.00894325442784 . . . . . . . 26712 9 117 . . 1 1 192 192 GLU N N 15 0.700569505035 0.0122534471819 . . . . . . . 26712 9 118 . . 1 1 193 193 THR N N 15 0.57932277638 0.0261707715955 . . . . . . . 26712 9 119 . . 1 1 195 195 GLN N N 15 0.660201935183 0.0143852724466 . . . . . . . 26712 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 26712 _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 . 26712 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 19 19 SER N N 15 29.4838585835 0.48586136518 . . . . . . . 26712 10 2 . . 1 1 21 21 ARG N N 15 31.1248879636 1.46632459347 . . . . . . . 26712 10 3 . . 1 1 22 22 TYR N N 15 30.897312483 1.07488316684 . . . . . . . 26712 10 4 . . 1 1 27 27 VAL N N 15 27.282270425 0.906091703812 . . . . . . . 26712 10 5 . . 1 1 28 28 SER N N 15 29.6665451098 0.574454278202 . . . . . . . 26712 10 6 . . 1 1 31 31 GLY N N 15 12.1872296902 0.86994359787 . . . . . . . 26712 10 7 . . 1 1 33 33 GLY N N 15 39.2231961418 7.70861509955 . . . . . . . 26712 10 8 . . 1 1 34 34 GLU N N 15 21.9364307622 0.374717208249 . . . . . . . 26712 10 9 . . 1 1 36 36 ARG N N 15 28.6303620075 0.510107369697 . . . . . . . 26712 10 10 . . 1 1 37 37 PHE N N 15 27.6863899665 0.613571544041 . . . . . . . 26712 10 11 . . 1 1 38 38 ILE N N 15 28.5459533558 0.520033668525 . . . . . . . 26712 10 12 . . 1 1 39 39 THR N N 15 32.4566376239 0.833037448182 . . . . . . . 26712 10 13 . . 1 1 41 41 GLY N N 15 26.6125405941 0.865717601973 . . . . . . . 26712 10 14 . . 1 1 44 44 ASP N N 15 31.3857423015 0.510933658416 . . . . . . . 26712 10 15 . . 1 1 45 45 ASP N N 15 29.6273393459 0.743080744877 . . . . . . . 26712 10 16 . . 1 1 46 46 THR N N 15 29.6048707332 0.634360163617 . . . . . . . 26712 10 17 . . 1 1 47 47 LEU N N 15 27.9051005831 0.51457773958 . . . . . . . 26712 10 18 . . 1 1 49 49 VAL N N 15 29.5917397871 1.90991770203 . . . . . . . 26712 10 19 . . 1 1 50 50 ARG N N 15 19.5462650603 0.520906344582 . . . . . . . 26712 10 20 . . 1 1 51 51 PHE N N 15 29.351255368 0.728533731149 . . . . . . . 26712 10 21 . . 1 1 52 52 ASP N N 15 24.5657385504 0.44752798288 . . . . . . . 26712 10 22 . . 1 1 53 53 SER N N 15 29.3358620583 0.559339549299 . . . . . . . 26712 10 23 . . 1 1 54 54 ASP N N 15 28.6522649287 0.516899907785 . . . . . . . 26712 10 24 . . 1 1 55 55 ALA N N 15 22.0693081553 0.185839897368 . . . . . . . 26712 10 25 . . 1 1 56 56 ALA N N 15 15.8168180065 0.462206909807 . . . . . . . 26712 10 26 . . 1 1 57 57 SER N N 15 22.7204126157 0.632592591215 . . . . . . . 26712 10 27 . . 1 1 64 64 ALA N N 15 31.8673542125 1.22988947425 . . . . . . . 26712 10 28 . . 1 1 66 66 TRP N N 15 29.5467841315 0.754564358083 . . . . . . . 26712 10 29 . . 1 1 67 67 ILE N N 15 32.9917438312 1.25843937626 . . . . . . . 26712 10 30 . . 1 1 68 68 GLU N N 15 35.0617299807 1.30791048954 . . . . . . . 26712 10 31 . . 1 1 69 69 GLN N N 15 23.9269636099 0.489515993641 . . . . . . . 26712 10 32 . . 1 1 70 70 GLU N N 15 33.3352389501 0.568798348127 . . . . . . . 26712 10 33 . . 1 1 74 74 TYR N N 15 28.3583978431 0.550040441193 . . . . . . . 26712 10 34 . . 1 1 75 75 TRP N N 15 30.627307712 1.07449115584 . . . . . . . 26712 10 35 . . 1 1 77 77 ARG N N 15 30.3065440056 0.917380621962 . . . . . . . 26712 10 36 . . 1 1 79 79 THR N N 15 34.9544427589 2.57126752126 . . . . . . . 26712 10 37 . . 1 1 82 82 CYS N N 15 30.5197802018 2.21729053487 . . . . . . . 26712 10 38 . . 1 1 83 83 LYS N N 15 31.245772187 1.57112001714 . . . . . . . 26712 10 39 . . 1 1 84 84 ALA N N 15 22.2281646593 0.923589232617 . . . . . . . 26712 10 40 . . 1 1 85 85 LYS N N 15 22.2542374446 0.205228576835 . . . . . . . 26712 10 41 . . 1 1 86 86 ALA N N 15 37.5168303704 2.25309619012 . . . . . . . 26712 10 42 . . 1 1 87 87 GLN N N 15 28.8014536069 1.26919632489 . . . . . . . 26712 10 43 . . 1 1 88 88 THR N N 15 23.5144516956 0.97737861772 . . . . . . . 26712 10 44 . . 1 1 90 90 ARG N N 15 16.9109307333 0.406490569619 . . . . . . . 26712 10 45 . . 1 1 91 91 GLU N N 15 32.0285087262 1.46569483452 . . . . . . . 26712 10 46 . . 1 1 92 92 ASP N N 15 28.1147881043 1.22370211861 . . . . . . . 26712 10 47 . . 1 1 93 93 LEU N N 15 30.3952892946 1.20850468099 . . . . . . . 26712 10 48 . . 1 1 94 94 ARG N N 15 25.0338324575 0.994708836461 . . . . . . . 26712 10 49 . . 1 1 97 97 LEU N N 15 27.7495404378 0.716699733769 . . . . . . . 26712 10 50 . . 1 1 98 98 ARG N N 15 28.8958462076 0.587012881209 . . . . . . . 26712 10 51 . . 1 1 99 99 TYR N N 15 32.0147602944 1.21426091849 . . . . . . . 26712 10 52 . . 1 1 100 100 TYR N N 15 23.5608531982 0.69634959056 . . . . . . . 26712 10 53 . . 1 1 102 102 GLN N N 15 28.3213829394 0.433890060401 . . . . . . . 26712 10 54 . . 1 1 106 106 GLY N N 15 17.9061632819 0.997880829328 . . . . . . . 26712 10 55 . . 1 1 107 107 SER N N 15 22.7549044376 0.685928396982 . . . . . . . 26712 10 56 . . 1 1 108 108 HIS N N 15 18.8542650771 0.29837310158 . . . . . . . 26712 10 57 . . 1 1 109 109 THR N N 15 23.7659032873 0.460927451121 . . . . . . . 26712 10 58 . . 1 1 110 110 LEU N N 15 29.6140161621 1.01237618354 . . . . . . . 26712 10 59 . . 1 1 113 113 MET N N 15 31.7112046314 2.75683895942 . . . . . . . 26712 10 60 . . 1 1 115 115 GLY N N 15 36.1539921725 1.84135622753 . . . . . . . 26712 10 61 . . 1 1 116 116 CYS N N 15 29.091202614 1.09636814489 . . . . . . . 26712 10 62 . . 1 1 117 117 ASP N N 15 29.862831307 0.974290914251 . . . . . . . 26712 10 63 . . 1 1 118 118 VAL N N 15 28.7199443253 0.857420780923 . . . . . . . 26712 10 64 . . 1 1 119 119 GLY N N 15 28.8767002323 0.609715429105 . . . . . . . 26712 10 65 . . 1 1 121 121 ASP N N 15 23.7752369207 0.341774656328 . . . . . . . 26712 10 66 . . 1 1 122 122 GLY N N 15 26.4755974482 0.622964054408 . . . . . . . 26712 10 67 . . 1 1 123 123 ARG N N 15 28.2137742202 0.32336357088 . . . . . . . 26712 10 68 . . 1 1 125 125 LEU N N 15 27.6763905044 1.10183937606 . . . . . . . 26712 10 69 . . 1 1 126 126 ARG N N 15 24.4366497571 1.19715301398 . . . . . . . 26712 10 70 . . 1 1 127 127 GLY N N 15 26.5216668667 1.30559735963 . . . . . . . 26712 10 71 . . 1 1 128 128 TYR N N 15 26.7257080367 1.79532323383 . . . . . . . 26712 10 72 . . 1 1 129 129 HIS N N 15 28.1695331014 1.73314963031 . . . . . . . 26712 10 73 . . 1 1 130 130 GLN N N 15 40.0825532467 5.08843640723 . . . . . . . 26712 10 74 . . 1 1 132 132 ALA N N 15 31.1540545241 1.83868941576 . . . . . . . 26712 10 75 . . 1 1 134 134 ASP N N 15 28.2168639824 0.754134461338 . . . . . . . 26712 10 76 . . 1 1 135 135 GLY N N 15 39.3219893163 3.72356549532 . . . . . . . 26712 10 77 . . 1 1 139 139 ILE N N 15 29.3478447468 2.49522713965 . . . . . . . 26712 10 78 . . 1 1 140 140 ALA N N 15 32.9285453966 3.0914495272 . . . . . . . 26712 10 79 . . 1 1 141 141 LEU N N 15 30.125707533 1.04040881361 . . . . . . . 26712 10 80 . . 1 1 143 143 GLU N N 15 28.8605321867 0.642274945904 . . . . . . . 26712 10 81 . . 1 1 144 144 ASP N N 15 28.582214816 0.398797176117 . . . . . . . 26712 10 82 . . 1 1 145 145 LEU N N 15 34.5516807334 1.34425412784 . . . . . . . 26712 10 83 . . 1 1 146 146 SER N N 15 22.9324308021 1.26212922344 . . . . . . . 26712 10 84 . . 1 1 147 147 SER N N 15 25.0373951927 0.983125489973 . . . . . . . 26712 10 85 . . 1 1 149 149 THR N N 15 26.1664177483 0.515585445221 . . . . . . . 26712 10 86 . . 1 1 150 150 ALA N N 15 26.528493573 0.515421420678 . . . . . . . 26712 10 87 . . 1 1 151 151 ALA N N 15 22.8153581337 0.546462100612 . . . . . . . 26712 10 88 . . 1 1 152 152 ASP N N 15 22.23476119 0.335016897762 . . . . . . . 26712 10 89 . . 1 1 153 153 THR N N 15 22.8963219309 1.33026717289 . . . . . . . 26712 10 90 . . 1 1 154 154 ALA N N 15 29.9002122633 0.568394735637 . . . . . . . 26712 10 91 . . 1 1 155 155 ALA N N 15 26.4882822957 1.24540843302 . . . . . . . 26712 10 92 . . 1 1 156 156 GLN N N 15 29.3866628602 0.872385807666 . . . . . . . 26712 10 93 . . 1 1 157 157 ILE N N 15 27.2254703082 1.12905699839 . . . . . . . 26712 10 94 . . 1 1 158 158 THR N N 15 30.0373432991 1.51217148594 . . . . . . . 26712 10 95 . . 1 1 160 160 ARG N N 15 32.8499687156 1.27601305536 . . . . . . . 26712 10 96 . . 1 1 161 161 LYS N N 15 32.9349913521 1.23806861171 . . . . . . . 26712 10 97 . . 1 1 163 163 GLU N N 15 29.5305163124 1.28611581436 . . . . . . . 26712 10 98 . . 1 1 164 164 ALA N N 15 11.7653462299 0.463445065371 . . . . . . . 26712 10 99 . . 1 1 165 165 ALA N N 15 30.1024295271 1.39490150194 . . . . . . . 26712 10 100 . . 1 1 167 167 VAL N N 15 30.3041681932 1.32661297801 . . . . . . . 26712 10 101 . . 1 1 168 168 ALA N N 15 29.2967939691 1.21878965148 . . . . . . . 26712 10 102 . . 1 1 170 170 GLN N N 15 31.4008809059 1.27340304308 . . . . . . . 26712 10 103 . . 1 1 172 172 ARG N N 15 34.5025727913 2.61926400492 . . . . . . . 26712 10 104 . . 1 1 173 173 ALA N N 15 27.941639584 1.43033166992 . . . . . . . 26712 10 105 . . 1 1 174 174 TYR N N 15 25.1486098594 1.49985064136 . . . . . . . 26712 10 106 . . 1 1 175 175 LEU N N 15 28.651816687 2.98497332065 . . . . . . . 26712 10 107 . . 1 1 176 176 GLU N N 15 28.939466236 1.75042234169 . . . . . . . 26712 10 108 . . 1 1 177 177 GLY N N 15 30.0354297911 0.736963687076 . . . . . . . 26712 10 109 . . 1 1 178 178 GLU N N 15 26.1411582226 0.72375075531 . . . . . . . 26712 10 110 . . 1 1 179 179 CYS N N 15 31.730661716 2.07069636347 . . . . . . . 26712 10 111 . . 1 1 180 180 VAL N N 15 27.7409852441 1.10708809551 . . . . . . . 26712 10 112 . . 1 1 181 181 GLU N N 15 25.9627698138 0.954204621913 . . . . . . . 26712 10 113 . . 1 1 185 185 ARG N N 15 34.6072463917 1.4982896219 . . . . . . . 26712 10 114 . . 1 1 187 187 LEU N N 15 31.4202468285 1.15781565805 . . . . . . . 26712 10 115 . . 1 1 188 188 GLU N N 15 32.1396625948 1.52995015812 . . . . . . . 26712 10 116 . . 1 1 191 191 LYS N N 15 31.0595307987 0.611202286138 . . . . . . . 26712 10 117 . . 1 1 192 192 GLU N N 15 28.4099822888 0.484831814043 . . . . . . . 26712 10 118 . . 1 1 193 193 THR N N 15 35.1387391879 1.35111574656 . . . . . . . 26712 10 119 . . 1 1 195 195 GLN N N 15 24.7082588596 0.714275969368 . . . . . . . 26712 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 26712 _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 . 26712 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 19 19 SER N N 15 0.437363721809 0.00651669180496 . . . . . . . 26712 11 2 . . 1 1 21 21 ARG N N 15 0.436969121447 0.015038412175 . . . . . . . 26712 11 3 . . 1 1 22 22 TYR N N 15 0.445471578536 0.0110265147628 . . . . . . . 26712 11 4 . . 1 1 27 27 VAL N N 15 0.463109988082 0.0127700288058 . . . . . . . 26712 11 5 . . 1 1 28 28 SER N N 15 0.504407786555 0.00891465052116 . . . . . . . 26712 11 6 . . 1 1 31 31 GLY N N 15 0.550898532045 0.0559346770625 . . . . . . . 26712 11 7 . . 1 1 33 33 GLY N N 15 0.505355177064 0.0415273927951 . . . . . . . 26712 11 8 . . 1 1 34 34 GLU N N 15 0.587639699961 0.0115692263874 . . . . . . . 26712 11 9 . . 1 1 36 36 ARG N N 15 0.485492308925 0.00735942030861 . . . . . . . 26712 11 10 . . 1 1 37 37 PHE N N 15 0.502198825581 0.0110288856917 . . . . . . . 26712 11 11 . . 1 1 38 38 ILE N N 15 0.462924728072 0.00726855659175 . . . . . . . 26712 11 12 . . 1 1 39 39 THR N N 15 0.478158170191 0.00956316340381 . . . . . . . 26712 11 13 . . 1 1 41 41 GLY N N 15 0.483169570153 0.01113683318 . . . . . . . 26712 11 14 . . 1 1 44 44 ASP N N 15 0.419325321554 0.00671798779833 . . . . . . . 26712 11 15 . . 1 1 45 45 ASP N N 15 0.433581576215 0.00916776123595 . . . . . . . 26712 11 16 . . 1 1 46 46 THR N N 15 0.444084479658 0.00823506244679 . . . . . . . 26712 11 17 . . 1 1 47 47 LEU N N 15 0.401905175582 0.0071953377524 . . . . . . . 26712 11 18 . . 1 1 49 49 VAL N N 15 0.502516286519 0.0208257826198 . . . . . . . 26712 11 19 . . 1 1 50 50 ARG N N 15 0.474415339804 0.0111854984829 . . . . . . . 26712 11 20 . . 1 1 51 51 PHE N N 15 0.451311333794 0.0101796809975 . . . . . . . 26712 11 21 . . 1 1 52 52 ASP N N 15 0.48813242797 0.00753596778004 . . . . . . . 26712 11 22 . . 1 1 53 53 SER N N 15 0.458889665714 0.00836976780766 . . . . . . . 26712 11 23 . . 1 1 54 54 ASP N N 15 0.497458674969 0.00742902283253 . . . . . . . 26712 11 24 . . 1 1 55 55 ALA N N 15 0.564217687909 0.00456444876971 . . . . . . . 26712 11 25 . . 1 1 56 56 ALA N N 15 0.468253267187 0.0218294102045 . . . . . . . 26712 11 26 . . 1 1 57 57 SER N N 15 0.510517470369 0.0208451732367 . . . . . . . 26712 11 27 . . 1 1 64 64 ALA N N 15 0.39153250381 0.0101276784254 . . . . . . . 26712 11 28 . . 1 1 66 66 TRP N N 15 0.487729835481 0.00909386858515 . . . . . . . 26712 11 29 . . 1 1 67 67 ILE N N 15 0.463858382147 0.012627463956 . . . . . . . 26712 11 30 . . 1 1 68 68 GLU N N 15 0.440045402633 0.0102975178646 . . . . . . . 26712 11 31 . . 1 1 69 69 GLN N N 15 0.564352008335 0.010204962168 . . . . . . . 26712 11 32 . . 1 1 70 70 GLU N N 15 0.467020516879 0.00531141323753 . . . . . . . 26712 11 33 . . 1 1 74 74 TYR N N 15 0.51024117048 0.00800039353483 . . . . . . . 26712 11 34 . . 1 1 75 75 TRP N N 15 0.462249899809 0.0112639555385 . . . . . . . 26712 11 35 . . 1 1 77 77 ARG N N 15 0.47870790403 0.0116168766839 . . . . . . . 26712 11 36 . . 1 1 79 79 THR N N 15 0.519487403082 0.0368649933811 . . . . . . . 26712 11 37 . . 1 1 82 82 CYS N N 15 0.491205699935 0.0244747691567 . . . . . . . 26712 11 38 . . 1 1 83 83 LYS N N 15 0.470109104377 0.0162096120622 . . . . . . . 26712 11 39 . . 1 1 84 84 ALA N N 15 0.502026738858 0.0188436405271 . . . . . . . 26712 11 40 . . 1 1 85 85 LYS N N 15 0.588569803261 0.00492183263865 . . . . . . . 26712 11 41 . . 1 1 86 86 ALA N N 15 0.443601120469 0.018605299919 . . . . . . . 26712 11 42 . . 1 1 87 87 GLN N N 15 0.461184326269 0.0149906697569 . . . . . . . 26712 11 43 . . 1 1 88 88 THR N N 15 0.505535350548 0.0214762760047 . . . . . . . 26712 11 44 . . 1 1 90 90 ARG N N 15 0.495085992672 0.0112205063538 . . . . . . . 26712 11 45 . . 1 1 91 91 GLU N N 15 0.475825231524 0.0143230708273 . . . . . . . 26712 11 46 . . 1 1 92 92 ASP N N 15 0.456557852085 0.0153285631131 . . . . . . . 26712 11 47 . . 1 1 93 93 LEU N N 15 0.484026653812 0.012837599343 . . . . . . . 26712 11 48 . . 1 1 94 94 ARG N N 15 0.474757578728 0.011117201349 . . . . . . . 26712 11 49 . . 1 1 97 97 LEU N N 15 0.480305002097 0.008103077428 . . . . . . . 26712 11 50 . . 1 1 98 98 ARG N N 15 0.448844613922 0.00733629385601 . . . . . . . 26712 11 51 . . 1 1 99 99 TYR N N 15 0.469970148984 0.0105859116175 . . . . . . . 26712 11 52 . . 1 1 100 100 TYR N N 15 0.449515250213 0.00899166269229 . . . . . . . 26712 11 53 . . 1 1 102 102 GLN N N 15 0.460888786461 0.00556386710335 . . . . . . . 26712 11 54 . . 1 1 106 106 GLY N N 15 0.584789120872 0.0378760417615 . . . . . . . 26712 11 55 . . 1 1 107 107 SER N N 15 0.42046131165 0.0153912353181 . . . . . . . 26712 11 56 . . 1 1 108 108 HIS N N 15 0.514794785978 0.00761938334401 . . . . . . . 26712 11 57 . . 1 1 109 109 THR N N 15 0.442421970038 0.00732516622474 . . . . . . . 26712 11 58 . . 1 1 110 110 LEU N N 15 0.466556245967 0.0177019659374 . . . . . . . 26712 11 59 . . 1 1 113 113 MET N N 15 0.447202387073 0.0317492148841 . . . . . . . 26712 11 60 . . 1 1 115 115 GLY N N 15 0.449247220493 0.0163980446121 . . . . . . . 26712 11 61 . . 1 1 116 116 CYS N N 15 0.463291562302 0.014882306803 . . . . . . . 26712 11 62 . . 1 1 117 117 ASP N N 15 0.415687627515 0.0105057032169 . . . . . . . 26712 11 63 . . 1 1 118 118 VAL N N 15 0.431162221575 0.00959038331781 . . . . . . . 26712 11 64 . . 1 1 119 119 GLY N N 15 0.452228157067 0.00739326167739 . . . . . . . 26712 11 65 . . 1 1 121 121 ASP N N 15 0.564964963396 0.00886492240616 . . . . . . . 26712 11 66 . . 1 1 122 122 GLY N N 15 0.52179894336 0.00813309530312 . . . . . . . 26712 11 67 . . 1 1 123 123 ARG N N 15 0.523841166115 0.00491559252928 . . . . . . . 26712 11 68 . . 1 1 125 125 LEU N N 15 0.496527434087 0.0120873134943 . . . . . . . 26712 11 69 . . 1 1 126 126 ARG N N 15 0.458156526126 0.0170698493915 . . . . . . . 26712 11 70 . . 1 1 127 127 GLY N N 15 0.480722151123 0.0200469408266 . . . . . . . 26712 11 71 . . 1 1 128 128 TYR N N 15 0.483851961931 0.020540830566 . . . . . . . 26712 11 72 . . 1 1 129 129 HIS N N 15 0.444788166998 0.0230863060119 . . . . . . . 26712 11 73 . . 1 1 130 130 GLN N N 15 0.493575373615 0.040081886585 . . . . . . . 26712 11 74 . . 1 1 132 132 ALA N N 15 0.467297080519 0.0204191728058 . . . . . . . 26712 11 75 . . 1 1 134 134 ASP N N 15 0.492373286802 0.0109302349593 . . . . . . . 26712 11 76 . . 1 1 135 135 GLY N N 15 0.424644584774 0.02712968843 . . . . . . . 26712 11 77 . . 1 1 139 139 ILE N N 15 0.444960192831 0.0183491367966 . . . . . . . 26712 11 78 . . 1 1 140 140 ALA N N 15 0.414061993035 0.0280222923304 . . . . . . . 26712 11 79 . . 1 1 141 141 LEU N N 15 0.458727632517 0.0135720205384 . . . . . . . 26712 11 80 . . 1 1 143 143 GLU N N 15 0.478863291314 0.0121582015305 . . . . . . . 26712 11 81 . . 1 1 144 144 ASP N N 15 0.539300546651 0.00623504871236 . . . . . . . 26712 11 82 . . 1 1 145 145 LEU N N 15 0.449333813424 0.0129936078969 . . . . . . . 26712 11 83 . . 1 1 146 146 SER N N 15 0.437198102524 0.0163221690734 . . . . . . . 26712 11 84 . . 1 1 147 147 SER N N 15 0.416912356132 0.0146420657377 . . . . . . . 26712 11 85 . . 1 1 149 149 THR N N 15 0.433135292481 0.0073838961623 . . . . . . . 26712 11 86 . . 1 1 150 150 ALA N N 15 0.510466961356 0.0133664992971 . . . . . . . 26712 11 87 . . 1 1 151 151 ALA N N 15 0.528022243375 0.0107962056727 . . . . . . . 26712 11 88 . . 1 1 152 152 ASP N N 15 0.502614514648 0.00539786280813 . . . . . . . 26712 11 89 . . 1 1 153 153 THR N N 15 0.48701717068 0.0251916849198 . . . . . . . 26712 11 90 . . 1 1 154 154 ALA N N 15 0.487888407571 0.00867172644472 . . . . . . . 26712 11 91 . . 1 1 155 155 ALA N N 15 0.420962930039 0.0162371682973 . . . . . . . 26712 11 92 . . 1 1 156 156 GLN N N 15 0.459723716794 0.0103247631423 . . . . . . . 26712 11 93 . . 1 1 157 157 ILE N N 15 0.443154136898 0.0125829931325 . . . . . . . 26712 11 94 . . 1 1 158 158 THR N N 15 0.42978177394 0.0149253492254 . . . . . . . 26712 11 95 . . 1 1 160 160 ARG N N 15 0.45700391162 0.0100717960893 . . . . . . . 26712 11 96 . . 1 1 161 161 LYS N N 15 0.461496307056 0.00806391973443 . . . . . . . 26712 11 97 . . 1 1 163 163 GLU N N 15 0.493354604733 0.0130442056304 . . . . . . . 26712 11 98 . . 1 1 164 164 ALA N N 15 0.483778583823 0.0140487243023 . . . . . . . 26712 11 99 . . 1 1 165 165 ALA N N 15 0.394969092223 0.0121535835622 . . . . . . . 26712 11 100 . . 1 1 167 167 VAL N N 15 0.503754003891 0.0142480254566 . . . . . . . 26712 11 101 . . 1 1 168 168 ALA N N 15 0.500466118715 0.0160689007992 . . . . . . . 26712 11 102 . . 1 1 170 170 GLN N N 15 0.498486376869 0.012777878676 . . . . . . . 26712 11 103 . . 1 1 172 172 ARG N N 15 0.474898223318 0.0229134317455 . . . . . . . 26712 11 104 . . 1 1 173 173 ALA N N 15 0.447993560191 0.0124432372644 . . . . . . . 26712 11 105 . . 1 1 174 174 TYR N N 15 0.460274536895 0.0151986281248 . . . . . . . 26712 11 106 . . 1 1 175 175 LEU N N 15 0.421290438844 0.0243133024217 . . . . . . . 26712 11 107 . . 1 1 176 176 GLU N N 15 0.421586567301 0.0142770479361 . . . . . . . 26712 11 108 . . 1 1 177 177 GLY N N 15 0.463020917082 0.00766274875489 . . . . . . . 26712 11 109 . . 1 1 178 178 GLU N N 15 0.447271137573 0.0116654135496 . . . . . . . 26712 11 110 . . 1 1 179 179 CYS N N 15 0.425278050917 0.0178015233635 . . . . . . . 26712 11 111 . . 1 1 180 180 VAL N N 15 0.395588283405 0.0102386374854 . . . . . . . 26712 11 112 . . 1 1 181 181 GLU N N 15 0.460607162343 0.0115765079508 . . . . . . . 26712 11 113 . . 1 1 185 185 ARG N N 15 0.453277669394 0.0114895013734 . . . . . . . 26712 11 114 . . 1 1 187 187 LEU N N 15 0.399370423516 0.0111120748286 . . . . . . . 26712 11 115 . . 1 1 188 188 GLU N N 15 0.434112161686 0.0123521068566 . . . . . . . 26712 11 116 . . 1 1 191 191 LYS N N 15 0.493082043597 0.00770656780297 . . . . . . . 26712 11 117 . . 1 1 192 192 GLU N N 15 0.542975836341 0.00933697281638 . . . . . . . 26712 11 118 . . 1 1 193 193 THR N N 15 0.515023526785 0.0141025937856 . . . . . . . 26712 11 119 . . 1 1 195 195 GLN N N 15 0.469711058119 0.0108861152241 . . . . . . . 26712 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 26712 _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 . 26712 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 19 19 SER N N 15 31.1187971066 0.482035014852 . . . . . . . 26712 12 2 . . 1 1 21 21 ARG N N 15 32.7481620983 1.41348404531 . . . . . . . 26712 12 3 . . 1 1 22 22 TYR N N 15 31.3580368742 1.13170258006 . . . . . . . 26712 12 4 . . 1 1 27 27 VAL N N 15 27.7805906671 0.821414079604 . . . . . . . 26712 12 5 . . 1 1 28 28 SER N N 15 31.9633308896 0.557765462392 . . . . . . . 26712 12 6 . . 1 1 31 31 GLY N N 15 13.4110634548 0.30485101263 . . . . . . . 26712 12 7 . . 1 1 33 33 GLY N N 15 44.2149994288 208.624701609 . . . . . . . 26712 12 8 . . 1 1 34 34 GLU N N 15 21.4982826807 0.220998191737 . . . . . . . 26712 12 9 . . 1 1 36 36 ARG N N 15 27.6152734448 0.473685481957 . . . . . . . 26712 12 10 . . 1 1 37 37 PHE N N 15 27.5063665984 0.601286909743 . . . . . . . 26712 12 11 . . 1 1 38 38 ILE N N 15 29.7618548607 0.51236094286 . . . . . . . 26712 12 12 . . 1 1 39 39 THR N N 15 33.1698827691 0.640327155364 . . . . . . . 26712 12 13 . . 1 1 41 41 GLY N N 15 29.9639546345 0.745441011927 . . . . . . . 26712 12 14 . . 1 1 44 44 ASP N N 15 31.822865391 0.516463116439 . . . . . . . 26712 12 15 . . 1 1 45 45 ASP N N 15 29.9021723021 0.565513955936 . . . . . . . 26712 12 16 . . 1 1 46 46 THR N N 15 33.2243641776 0.612380173938 . . . . . . . 26712 12 17 . . 1 1 47 47 LEU N N 15 32.9662198901 0.556360027788 . . . . . . . 26712 12 18 . . 1 1 49 49 VAL N N 15 33.9084467235 1.54551277018 . . . . . . . 26712 12 19 . . 1 1 50 50 ARG N N 15 17.0164547303 0.33873164953 . . . . . . . 26712 12 20 . . 1 1 51 51 PHE N N 15 31.8363698116 0.692494423733 . . . . . . . 26712 12 21 . . 1 1 52 52 ASP N N 15 18.788129831 0.282470022618 . . . . . . . 26712 12 22 . . 1 1 53 53 SER N N 15 31.468122184 0.539793896702 . . . . . . . 26712 12 23 . . 1 1 54 54 ASP N N 15 32.0626929232 0.470578109376 . . . . . . . 26712 12 24 . . 1 1 55 55 ALA N N 15 23.5900631752 0.15981094525 . . . . . . . 26712 12 25 . . 1 1 56 56 ALA N N 15 22.677988283 0.383535759278 . . . . . . . 26712 12 26 . . 1 1 57 57 SER N N 15 20.9138514554 0.302154364895 . . . . . . . 26712 12 27 . . 1 1 64 64 ALA N N 15 34.660156682 1.31260481681 . . . . . . . 26712 12 28 . . 1 1 66 66 TRP N N 15 31.4993444558 0.751379930906 . . . . . . . 26712 12 29 . . 1 1 67 67 ILE N N 15 34.9148057051 1.27373513049 . . . . . . . 26712 12 30 . . 1 1 68 68 GLU N N 15 37.4440738165 1.04346795447 . . . . . . . 26712 12 31 . . 1 1 69 69 GLN N N 15 27.7587771106 0.429833505747 . . . . . . . 26712 12 32 . . 1 1 70 70 GLU N N 15 34.4094132696 0.52856150241 . . . . . . . 26712 12 33 . . 1 1 74 74 TYR N N 15 30.2654433759 0.493817301611 . . . . . . . 26712 12 34 . . 1 1 75 75 TRP N N 15 32.0607807659 0.744028659725 . . . . . . . 26712 12 35 . . 1 1 77 77 ARG N N 15 31.8704830253 0.821019075418 . . . . . . . 26712 12 36 . . 1 1 79 79 THR N N 15 31.0890445276 1.70339840503 . . . . . . . 26712 12 37 . . 1 1 82 82 CYS N N 15 41.2586235502 2.75014761683 . . . . . . . 26712 12 38 . . 1 1 83 83 LYS N N 15 29.0129448688 1.30636024825 . . . . . . . 26712 12 39 . . 1 1 84 84 ALA N N 15 24.8248980127 0.978290649501 . . . . . . . 26712 12 40 . . 1 1 85 85 LYS N N 15 23.7482345168 0.180266020941 . . . . . . . 26712 12 41 . . 1 1 86 86 ALA N N 15 37.1800787435 1.82701839264 . . . . . . . 26712 12 42 . . 1 1 87 87 GLN N N 15 32.995825968 1.05285504777 . . . . . . . 26712 12 43 . . 1 1 88 88 THR N N 15 29.984745038 1.59423355759 . . . . . . . 26712 12 44 . . 1 1 90 90 ARG N N 15 8.17205599287 0.170946915601 . . . . . . . 26712 12 45 . . 1 1 91 91 GLU N N 15 28.1430425653 1.11203700512 . . . . . . . 26712 12 46 . . 1 1 92 92 ASP N N 15 30.7147195548 1.26209641061 . . . . . . . 26712 12 47 . . 1 1 93 93 LEU N N 15 32.2794082947 1.24430131701 . . . . . . . 26712 12 48 . . 1 1 94 94 ARG N N 15 30.7906651491 1.01440378739 . . . . . . . 26712 12 49 . . 1 1 97 97 LEU N N 15 30.430788002 0.707098834938 . . . . . . . 26712 12 50 . . 1 1 98 98 ARG N N 15 29.9762115036 0.558821195286 . . . . . . . 26712 12 51 . . 1 1 99 99 TYR N N 15 31.2877312727 0.962054709895 . . . . . . . 26712 12 52 . . 1 1 100 100 TYR N N 15 28.5004226663 0.647848924374 . . . . . . . 26712 12 53 . . 1 1 102 102 GLN N N 15 29.6422835771 0.427497367098 . . . . . . . 26712 12 54 . . 1 1 106 106 GLY N N 15 18.478329138 0.495355605872 . . . . . . . 26712 12 55 . . 1 1 107 107 SER N N 15 26.0878931181 0.414232126536 . . . . . . . 26712 12 56 . . 1 1 108 108 HIS N N 15 22.3745293417 0.334235916684 . . . . . . . 26712 12 57 . . 1 1 109 109 THR N N 15 26.7100143494 0.386729559803 . . . . . . . 26712 12 58 . . 1 1 110 110 LEU N N 15 28.7740189044 1.36527056212 . . . . . . . 26712 12 59 . . 1 1 113 113 MET N N 15 32.5793173223 4.01429329736 . . . . . . . 26712 12 60 . . 1 1 115 115 GLY N N 15 25.8486285053 1.88770685182 . . . . . . . 26712 12 61 . . 1 1 116 116 CYS N N 15 26.5523823606 1.00728749609 . . . . . . . 26712 12 62 . . 1 1 117 117 ASP N N 15 31.1520988897 0.978120084327 . . . . . . . 26712 12 63 . . 1 1 118 118 VAL N N 15 33.0626637775 1.0845952719 . . . . . . . 26712 12 64 . . 1 1 119 119 GLY N N 15 27.4440774717 0.614289698731 . . . . . . . 26712 12 65 . . 1 1 121 121 ASP N N 15 17.4799050285 0.177961229298 . . . . . . . 26712 12 66 . . 1 1 122 122 GLY N N 15 30.4212053655 0.506896736728 . . . . . . . 26712 12 67 . . 1 1 123 123 ARG N N 15 30.1763141034 0.347977690479 . . . . . . . 26712 12 68 . . 1 1 125 125 LEU N N 15 29.2150187454 1.15485661134 . . . . . . . 26712 12 69 . . 1 1 126 126 ARG N N 15 26.7578391286 1.13318277681 . . . . . . . 26712 12 70 . . 1 1 127 127 GLY N N 15 25.6615592663 1.25737205405 . . . . . . . 26712 12 71 . . 1 1 128 128 TYR N N 15 29.1896052795 0.471784597065 . . . . . . . 26712 12 72 . . 1 1 129 129 HIS N N 15 29.5560162939 1.92592125694 . . . . . . . 26712 12 73 . . 1 1 130 130 GLN N N 15 47.7603303602 7.18935476961 . . . . . . . 26712 12 74 . . 1 1 132 132 ALA N N 15 30.2043929237 1.78548637932 . . . . . . . 26712 12 75 . . 1 1 134 134 ASP N N 15 32.0683588709 0.908729050047 . . . . . . . 26712 12 76 . . 1 1 135 135 GLY N N 15 34.9037543922 2.245883656 . . . . . . . 26712 12 77 . . 1 1 139 139 ILE N N 15 32.7643877986 2.40919090545 . . . . . . . 26712 12 78 . . 1 1 140 140 ALA N N 15 37.4168313721 5.00354305604 . . . . . . . 26712 12 79 . . 1 1 141 141 LEU N N 15 29.9422465137 1.03158168281 . . . . . . . 26712 12 80 . . 1 1 143 143 GLU N N 15 29.5785288526 0.471463032103 . . . . . . . 26712 12 81 . . 1 1 144 144 ASP N N 15 29.4508330941 0.302743349719 . . . . . . . 26712 12 82 . . 1 1 145 145 LEU N N 15 34.3944653969 1.18105631081 . . . . . . . 26712 12 83 . . 1 1 146 146 SER N N 15 31.1007480916 1.26791909081 . . . . . . . 26712 12 84 . . 1 1 147 147 SER N N 15 25.9810156425 0.965078673295 . . . . . . . 26712 12 85 . . 1 1 149 149 THR N N 15 27.0838537397 0.474238207414 . . . . . . . 26712 12 86 . . 1 1 150 150 ALA N N 15 27.0026790194 0.56235089409 . . . . . . . 26712 12 87 . . 1 1 151 151 ALA N N 15 16.0151407863 0.337953924087 . . . . . . . 26712 12 88 . . 1 1 152 152 ASP N N 15 25.8969605158 0.291564166482 . . . . . . . 26712 12 89 . . 1 1 153 153 THR N N 15 29.2285089571 0.754253976354 . . . . . . . 26712 12 90 . . 1 1 154 154 ALA N N 15 32.6684905977 0.600490697186 . . . . . . . 26712 12 91 . . 1 1 155 155 ALA N N 15 27.9616152282 1.24241687724 . . . . . . . 26712 12 92 . . 1 1 156 156 GLN N N 15 31.3275279699 0.707810150638 . . . . . . . 26712 12 93 . . 1 1 157 157 ILE N N 15 35.9260963583 1.22708234869 . . . . . . . 26712 12 94 . . 1 1 158 158 THR N N 15 33.4102549732 1.28477524514 . . . . . . . 26712 12 95 . . 1 1 160 160 ARG N N 15 34.0689952335 1.17334143003 . . . . . . . 26712 12 96 . . 1 1 161 161 LYS N N 15 30.519294432 0.865769065372 . . . . . . . 26712 12 97 . . 1 1 163 163 GLU N N 15 28.5905890923 1.14621093735 . . . . . . . 26712 12 98 . . 1 1 164 164 ALA N N 15 28.2719643632 1.19439425763 . . . . . . . 26712 12 99 . . 1 1 165 165 ALA N N 15 31.4459503807 1.1761665608 . . . . . . . 26712 12 100 . . 1 1 167 167 VAL N N 15 34.0073536177 1.55451332088 . . . . . . . 26712 12 101 . . 1 1 168 168 ALA N N 15 33.7032833558 1.32435907009 . . . . . . . 26712 12 102 . . 1 1 170 170 GLN N N 15 33.1915529651 1.2867743218 . . . . . . . 26712 12 103 . . 1 1 172 172 ARG N N 15 35.5605348938 2.82902010502 . . . . . . . 26712 12 104 . . 1 1 173 173 ALA N N 15 32.5693110995 1.36439747671 . . . . . . . 26712 12 105 . . 1 1 174 174 TYR N N 15 33.1968014894 1.36391628434 . . . . . . . 26712 12 106 . . 1 1 175 175 LEU N N 15 38.5236817939 4.06425676365 . . . . . . . 26712 12 107 . . 1 1 176 176 GLU N N 15 25.4110140723 1.28401433191 . . . . . . . 26712 12 108 . . 1 1 177 177 GLY N N 15 27.4486142004 0.564234401922 . . . . . . . 26712 12 109 . . 1 1 178 178 GLU N N 15 29.9623336201 0.87831286996 . . . . . . . 26712 12 110 . . 1 1 179 179 CYS N N 15 31.3496007701 1.83571941745 . . . . . . . 26712 12 111 . . 1 1 180 180 VAL N N 15 31.1955798386 1.14393339308 . . . . . . . 26712 12 112 . . 1 1 181 181 GLU N N 15 29.8780676796 1.03431883286 . . . . . . . 26712 12 113 . . 1 1 185 185 ARG N N 15 34.502828428 1.23758280158 . . . . . . . 26712 12 114 . . 1 1 187 187 LEU N N 15 34.5718567191 1.23596110614 . . . . . . . 26712 12 115 . . 1 1 188 188 GLU N N 15 31.8115817995 1.26883820562 . . . . . . . 26712 12 116 . . 1 1 191 191 LYS N N 15 33.236822493 0.657371052616 . . . . . . . 26712 12 117 . . 1 1 192 192 GLU N N 15 31.2939569625 0.47587603798 . . . . . . . 26712 12 118 . . 1 1 193 193 THR N N 15 31.7390283427 1.22667905286 . . . . . . . 26712 12 119 . . 1 1 195 195 GLN N N 15 27.9871388089 0.625104311094 . . . . . . . 26712 12 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_bn _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_bn _Order_parameter_list.Entry_ID 26712 _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 600 _Order_parameter_list.Rex_val_units s-1 _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 . 26712 1 2 '600.18 MHz R2' . . . 26712 1 3 '600.18 MHz steady-state NOE' . . . 26712 1 4 '750.46 MHz R1' . . . 26712 1 5 '750.46 MHz R2' . . . 26712 1 6 '750.46 MHz steady-state NOE' . . . 26712 1 7 '600.18 MHz R1' 1 $sample_1 . 26712 1 8 '600.18 MHz R2' . . . 26712 1 9 '600.18 MHz steady-state NOE' . . . 26712 1 10 '750.46 MHz R1' . . . 26712 1 11 '750.46 MHz R2' . . . 26712 1 12 '750.46 MHz steady-state NOE' . . . 26712 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 . . 26712 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 0.52763587009 0.0179931748103 . . . . 9.10301187507e-10 7.45062009899e-11 . . . 'S2f, S2, ts' 0.767105570479 0.0229000744439 0.687826930732 0.0194908496096 . . . . . . . . . 26712 1 2 . 2 2 8 8 ILE N N 15 0.3928850227 0.0318605514855 . . . . 1.03549978617e-09 1.74121047289e-10 . . . 'S2f, S2, ts' 0.554751215944 0.0382714460267 0.708218407473 0.0465456151422 . . . . . . . . . 26712 1 3 . 2 2 9 9 GLN N N 15 0.776325630056 0.0796718515287 2.02401419146e-11 2.55225167448e-11 . . . . 3.15615749468e-37 1.21881737804e-37 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 4 . 2 2 12 12 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 5 . 2 2 13 13 ARG N N 15 0.768395243332 0.100743406812 . . . . . . 2.15298354869e-37 1.37734918241e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 6 . 2 2 14 14 HIS N N 15 0.500097537122 0.0342673400597 . . . . 2.72801262785e-09 3.36582664679e-09 . . . 'S2f, S2, ts' 0.587468668664 0.0275106967348 0.851275248873 0.0543655410961 . . . . . . . . . 26712 1 7 . 2 2 17 17 GLU N N 15 0.866310673764 0.058431034447 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 8 . 2 2 19 19 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 9 . 2 2 20 20 LYS N N 15 0.934916662412 0.0318045514332 . . . . . . 9.75622625325e-38 3.76588800204e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 10 . 2 2 23 23 PHE N N 15 0.803158748672 0.0606514115318 . . . . . . 2.31818637818e-37 9.1378352445e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 11 . 2 2 25 25 ASN N N 15 0.862971970699 0.074976912503 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 12 . 2 2 26 26 CYS N N 15 0.631582899547 0.0684206932624 . . . . . . 4.79646135311e-37 1.19367863868e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 13 . 2 2 27 27 TYR N N 15 0.640999059988 0.121952232972 . . . . . . 7.1791157696e-37 3.07031025662e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 14 . 2 2 29 29 SER N N 15 0.802723941809 0.0768801005797 . . . . . . 1.94822992242e-37 1.17816134549e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 15 . 2 2 30 30 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 16 . 2 2 31 31 PHE N N 15 0.912773928433 0.0405386368974 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 17 . 2 2 34 34 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 18 . 2 2 35 35 ASP N N 15 0.236169170185 0.23891714834 . . 8.92775209925e-12 4.00981097704e-12 2.81097558488e-08 8.59736974499e-09 4.84113235017e-37 1.55777042878e-37 . 'S2f, tf, S2, ts, Rex' 0.596965725773 0.125867259175 0.395615962506 0.357014794818 . . . . . . . . . 26712 1 19 . 2 2 37 37 GLU N N 15 0.827889792827 0.0640754316623 1.62589804305e-11 6.59095575169e-11 . . . . 1.3510449163e-37 8.49732586451e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 20 . 2 2 38 38 VAL N N 15 1.96741571612e-17 0.0896928981321 . . 6.58560730448e-12 2.45378145849e-12 2.30871690339e-08 8.90578475822e-09 . . . 'S2f, tf, S2, ts' 0.42456045856 0.0446698671912 4.63407178629e-17 0.2675545824 . . . . . . . . . 26712 1 21 . 2 2 40 40 LEU N N 15 0.807726310115 0.0635209508436 1.73212769296e-11 2.69538848711e-11 . . . . 1.41086884123e-37 8.03962305901e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 22 . 2 2 41 41 LEU N N 15 0.748530600622 0.0886639191452 . . . . . . 3.11617747957e-37 1.33777465933e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 23 . 2 2 43 43 ASN N N 15 0.837706918306 0.0503381107512 2.86938806638e-11 4.22912826325e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 24 . 2 2 44 44 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 25 . 2 2 45 45 GLU N N 15 0.81893942891 0.0284656297213 1.7429887911e-11 5.827171567e-12 . . . . 1.32008640659e-37 3.5173961631e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 26 . 2 2 46 46 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 27 . 2 2 47 47 ILE N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 28 . 2 2 48 48 GLU N N 15 0.86212730743 0.0473030498739 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 29 . 2 2 49 49 LYS N N 15 0.38616044202 0.0121413553284 . . . . 8.72560667947e-10 7.44140667792e-11 . . . 'S2f, S2, ts' 0.50598345989 0.013749622908 0.763187875951 0.0193518251682 . . . . . . . . . 26712 1 30 . 2 2 51 51 GLU N N 15 0.786245869067 0.0504634743719 3.38458524201e-11 1.65620914617e-11 . . . . 1.58799177151e-37 6.88493478945e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 31 . 2 2 52 52 HIS N N 15 0.875216505384 0.029601145195 . . . . . . 1.23163623042e-37 4.1596396001e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 32 . 2 2 53 53 SER N N 15 0.859308199676 0.0865158515227 . . . . . . 3.29214949888e-37 1.65237583208e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 33 . 2 2 54 54 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 34 . 2 2 55 55 LEU N N 15 0.819283465633 0.0733875116165 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 35 . 2 2 56 56 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 36 . 2 2 57 57 PHE N N 15 0.574019744247 0.0320707772784 1.04277485636e-10 1.68093981813e-11 . . . . 1.13328879125e-37 3.64210423103e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 37 . 2 2 58 58 SER N N 15 0.73423011402 0.102077717064 . . . . . . 2.5098820469e-37 1.41855578824e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 38 . 2 2 60 60 ASP N N 15 0.922395364119 0.0434548887509 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 39 . 2 2 61 61 TRP N N 15 0.818000634772 0.0585251931706 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 40 . 2 2 61 61 TRP NE1 N 15 0.765246202932 0.0425782933277 . . . . . . 7.83948765079e-38 4.94014499448e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 41 . 2 2 62 62 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 42 . 2 2 63 63 PHE N N 15 0.339728270284 0.042067092892 . . . . 1.28791296226e-09 1.95129668451e-09 . . . 'S2f, S2, ts' 0.537793264922 0.0396848086442 0.631707930245 0.0692937637237 . . . . . . . . . 26712 1 43 . 2 2 64 64 TYR N N 15 0.816569128614 0.0722534401159 1.70737288784e-11 5.89899483028e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 44 . 2 2 65 65 LEU N N 15 0.957290478723 0.0421212815012 1.49834281104e-10 5.27714488647e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 45 . 2 2 66 66 LEU N N 15 0.851154034523 0.0995011045199 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 46 . 2 2 67 67 TYR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 47 . 2 2 68 68 TYR N N 15 . . . . . . . . 1.22506670246e-37 6.58380118434e-38 . Rex . . . . . . . . . . . . . 26712 1 48 . 2 2 69 69 THR N N 15 0.834920655034 0.068535355485 . . . . . . 1.36338447413e-37 8.96902307476e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 49 . 2 2 70 70 GLU N N 15 0.852879577506 0.0317287196135 . . . . . . 6.09370775691e-38 3.90775750363e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 50 . 2 2 71 71 PHE N N 15 0.900305604425 0.0437479060901 4.65603774441e-11 1.70278559262e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 51 . 2 2 72 72 THR N N 15 0.8812317217 0.0368480401769 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 52 . 2 2 74 74 THR N N 15 0.750376102464 0.0457406580835 1.46827261869e-11 5.70110320417e-12 . . . . 2.11295671643e-37 5.69271642906e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 53 . 2 2 75 75 GLU N N 15 1.76865291387e-18 3.86993986152e-20 . . 3.56957741942e-28 5.23298274849e-30 5.00696653811e-10 5.69256212256e-24 1.75398520497e-35 6.27021577474e-50 . 'S2f, tf, S2, ts, Rex' -2.13771841776e-18 2.83141720357e-20 -0.827355417425 1.07380657181 . . . . . . . . . 26712 1 54 . 2 2 76 76 LYS N N 15 0.723330347019 0.0283674591141 2.66016757586e-11 5.93374879234e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 55 . 2 2 77 77 ASP N N 15 0.834809158021 0.034076173987 3.1121524266e-11 1.02084805659e-11 . . . . 1.5315591702e-37 3.90376284611e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 56 . 2 2 79 79 TYR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 57 . 2 2 81 81 CYS N N 15 0.788744247865 0.0640575447097 . . . . . . 2.26137612667e-37 8.74516401714e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 58 . 2 2 82 82 ARG N N 15 0.775099069463 0.07023481675 . . . . . . 2.32676578788e-37 1.12493512417e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 59 . 2 2 83 83 VAL N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 60 . 2 2 84 84 ASN N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 61 . 2 2 85 85 HIS N N 15 0.646580337032 0.02754434372 . . . . 1.04296571227e-09 2.54513610912e-10 . . . 'S2f, S2, ts' 0.711754864073 0.0254418816089 0.908431216517 0.0160091275991 . . . . . . . . . 26712 1 62 . 2 2 86 86 VAL N N 15 0.86753727041 0.0686619582787 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 63 . 2 2 87 87 THR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 64 . 2 2 88 88 LEU N N 15 0.892541270523 0.0427126380607 2.22401298982e-11 1.27082655887e-10 . . . . 1.76399379013e-37 5.90154246281e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 65 . 2 2 90 90 GLN N N 15 0.672745413113 0.109503282276 . . . . 1.35052885001e-09 4.83574989109e-10 2.32160416474e-37 9.29052341416e-38 . 'S2f, S2, ts, Rex' 0.743566523576 0.0908130975304 0.904754842752 0.0432613133852 . . . . . . . . . 26712 1 66 . 2 2 92 92 LYS N N 15 0.901752948152 0.0453012234799 4.28331553022e-11 1.55783424937e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 67 . 2 2 93 93 ILE N N 15 0.87709837908 0.0262641747324 1.80013682685e-11 1.21187205572e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 68 . 2 2 94 94 VAL N N 15 0.863468216035 0.0587406801401 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 69 . 2 2 95 95 LYS N N 15 0.918157434394 0.0372615757654 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 70 . 2 2 96 96 TRP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 71 . 2 2 96 96 TRP NE1 N 15 0.837562543228 0.0418358833955 2.20971574401e-11 1.64937422822e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 72 . 2 2 97 97 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 73 . 2 2 98 98 ARG N N 15 0.808216591882 0.0623585659676 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 74 . 2 2 99 99 ASP N N 15 0.945806145496 0.0117245725859 5.25559581786e-10 1.73753185116e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 75 . 2 2 100 100 MET N N 15 0.393098125534 0.0125087896756 . . . . 1.57531287144e-09 3.90043869179e-10 . . . 'S2f, S2, ts' 0.51121939608 0.0131088450433 0.768942118683 0.0164099577874 . . . . . . . . . 26712 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 26712 _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 600 _Order_parameter_list.Rex_val_units s-1 _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 . 26712 2 2 '600.18 MHz R2' . . . 26712 2 3 '600.18 MHz steady-state NOE' . . . 26712 2 4 '750.46 MHz R1' . . . 26712 2 5 '750.46 MHz R2' . . . 26712 2 6 '750.46 MHz steady-state NOE' . . . 26712 2 7 '600.18 MHz R1' 1 $sample_1 . 26712 2 8 '600.18 MHz R2' . . . 26712 2 9 '600.18 MHz steady-state NOE' . . . 26712 2 10 '750.46 MHz R1' . . . 26712 2 11 '750.46 MHz R2' . . . 26712 2 12 '750.46 MHz steady-state NOE' . . . 26712 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 . . 26712 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 0.752694176574 0.00817449697003 4.43598844048e-12 1.95118167591e-12 . . . . 1.39585525135e-37 1.08242727929e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 2 . 1 1 203 203 HIS N N 15 0.819372917351 0.00643892952937 4.42559609873e-12 2.60710278437e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 3 . 1 1 205 205 THR N N 15 0.79207988386 0.00842950076485 6.22474133364e-12 2.25161178833e-12 . . . . 1.3811709642e-37 1.0717710948e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 4 . 1 1 206 206 HIS N N 15 0.711574426565 0.00511672847303 . . . . 8.39809942984e-10 1.23369634155e-10 . . . 'S2f, S2, ts' 0.745595985342 0.00495009970457 0.954369981268 0.00371434780389 . . . . . . . . . 26712 2 5 . 1 1 209 209 ILE N N 15 0.778581856931 0.00984811429641 1.8443349863e-11 3.15000645814e-12 . . . . 5.18405045585e-38 8.58058217255e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 6 . 1 1 210 210 SER N N 15 0.622179208351 0.0380421191629 . . 2.72752404894e-11 5.09255536239e-12 7.40755323701e-09 4.19923862227e-09 . . . 'S2f, tf, S2, ts' 0.778584633584 0.0155527271871 0.799115704977 0.0610783532796 . . . . . . . . . 26712 2 7 . 1 1 212 212 HIS N N 15 0.695565284768 0.0193338727823 . . . . 1.1522387187e-09 4.32392090254e-10 . . . 'S2f, S2, ts' 0.757418199506 0.0185146941151 0.918337168584 0.0152647505691 . . . . . . . . . 26712 2 8 . 1 1 213 213 GLU N N 15 0.793424124615 0.00628169230174 . . . . 6.41268398255e-10 1.04398370923e-10 . . . 'S2f, S2, ts' 0.829783736967 0.00591026058753 0.956181820958 0.00418157493009 . . . . . . . . . 26712 2 9 . 1 1 214 214 ALA N N 15 0.814871907004 0.00726314072714 . . . . 6.0649628375e-10 5.27137536117e-10 . . . 'S2f, S2, ts' 0.827905831273 0.0398268195401 0.984256755085 0.0371866529621 . . . . . . . . . 26712 2 10 . 1 1 215 215 THR N N 15 0.725474733684 0.00697521874183 6.31821176432e-12 1.81834853446e-12 . . . . 1.59118281451e-37 7.01927748451e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 11 . 1 1 218 218 CYS N N 15 0.809642705189 0.00974035583032 . . . . . . 8.2825507531e-38 1.49751653904e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 12 . 1 1 219 219 TRP N N 15 0.784900449846 0.00731034599189 . . . . . . 1.34259385311e-37 1.19641659046e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 13 . 1 1 220 220 ALA N N 15 0.796417213185 0.00735634996434 . . . . . . 1.06876262567e-37 1.19798214459e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 14 . 1 1 222 222 GLY N N 15 0.727332022229 0.00858427862463 1.52359294152e-11 1.65572591947e-12 . . . . 1.78010142957e-38 8.49238259878e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 15 . 1 1 223 223 PHE N N 15 0.840663140953 0.00702320126963 1.31084808664e-11 3.03953541843e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 16 . 1 1 224 224 TYR N N 15 0.785488869082 0.00811408882374 . . . . . . 1.30043970338e-37 1.12505202716e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 17 . 1 1 228 228 ILE N N 15 0.815109781773 0.00640056324804 7.79971577455e-12 2.32375262317e-12 . . . . 1.02027406977e-37 6.98195735997e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 18 . 1 1 229 229 THR N N 15 0.147458774131 0.0110593213045 . . . . 1.1532498045e-09 1.95864321287e-11 6.99982199538e-38 7.56646589326e-39 . 'S2f, S2, ts, Rex' 0.443638598272 0.00917868731958 0.332384906781 0.0185044863932 . . . . . . . . . 26712 2 19 . 1 1 231 231 THR N N 15 0.84019212649 0.00779387451884 1.01425953713e-11 2.89252369165e-12 . . . . 1.53056270771e-38 8.2880128719e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 20 . 1 1 233 233 GLN N N 15 0.841488983546 0.0058264164529 5.87498289384e-12 2.7409664479e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 21 . 1 1 234 234 ARG N N 15 0.84802254632 0.0046759620896 1.15894106989e-11 2.72350924744e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 22 . 1 1 235 235 ASP N N 15 0.821158312568 0.00669013530379 . . . . 9.06435288831e-10 1.18987665252e-10 . . . 'S2f, S2, ts' 0.869207483053 0.00614786772813 0.944720712348 0.00437109248077 . . . . . . . . . 26712 2 23 . 1 1 236 236 GLY N N 15 0.796635661702 0.0103397142032 . . . . 6.94839215685e-10 1.47494748594e-10 . . . 'S2f, S2, ts' 0.844404439654 0.00943422029749 0.943429030322 0.00737516338323 . . . . . . . . . 26712 2 24 . 1 1 237 237 GLU N N 15 0.883782754033 0.00594310218665 . . . . 4.8707077146e-10 8.79458068497e-11 . . . 'S2f, S2, ts' 0.91622307772 0.0052085153496 0.964593422197 0.00344504720828 . . . . . . . . . 26712 2 25 . 1 1 242 242 ASP N N 15 0.891231348502 0.00799427901619 7.37327722819e-11 9.84068809292e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 26 . 1 1 243 243 THR N N 15 0.806479489225 0.00827751606241 3.34517939798e-11 2.54579462169e-12 . . . . 2.6288900473e-38 7.19924016764e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 27 . 1 1 244 244 GLU N N 15 0.79614545937 0.00833783910828 9.3410136365e-12 2.30550644996e-12 . . . . 1.34732323884e-37 1.20298480279e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 28 . 1 1 245 245 LEU N N 15 0.833555994238 0.00443100626025 1.38220504444e-11 2.33380855827e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 29 . 1 1 246 246 VAL N N 15 0.797561817645 0.00757402594658 2.61115581498e-11 2.13033928587e-12 . . . . 3.82146295553e-38 8.53880260942e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 30 . 1 1 247 247 GLU N N 15 0.811968688986 0.00711493541632 1.40809360224e-11 2.51731705836e-12 . . . . 2.70842265283e-38 6.54361822229e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 31 . 1 1 249 249 ARG N N 15 0.808625530093 0.00992367616875 6.01663280711e-12 2.76095706768e-12 . . . . 2.07541386467e-37 1.49730327216e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 32 . 1 1 251 251 ALA N N 15 0.787060359134 0.00940420360645 4.93559854773e-12 2.63784347151e-12 . . . . 1.54146283301e-37 1.06985248551e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 33 . 1 1 252 252 GLY N N 15 0.903427581326 0.0174521522697 2.4015277383e-11 1.01350487923e-11 . . . . 5.00873916486e-38 1.63667429886e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 34 . 1 1 253 253 ASP N N 15 0.811926868396 0.0133073421978 1.88984319527e-11 4.82401120198e-12 . . . . 2.14564269614e-37 1.34512181251e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 35 . 1 1 254 254 ARG N N 15 0.702465871823 0.0154509596577 . . . . 1.6446924409e-09 1.07034468785e-09 . . . 'S2f, S2, ts' 0.809455053705 0.0158716108231 0.86782566692 0.0159040304268 . . . . . . . . . 26712 2 36 . 1 1 255 255 THR N N 15 0.784748499973 0.0137678475124 . . . . 8.17846606877e-10 1.93330906845e-10 . . . 'S2f, S2, ts' 0.847700417033 0.0125373925176 0.925738013342 0.00922276984304 . . . . . . . . . 26712 2 37 . 1 1 256 256 PHE N N 15 0.845780500827 0.00790820227552 . . . . . . 9.54848309794e-38 1.05328442482e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 38 . 1 1 257 257 GLN N N 15 0.764932341828 0.00665213600634 . . . . . . 1.14319208876e-37 9.08045070217e-39 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 39 . 1 1 259 259 TRP N N 15 0.726456168348 0.00718169490784 . . . . . . 1.61025627075e-37 1.15089313626e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 40 . 1 1 260 260 ALA N N 15 0.896468500982 0.00640513677424 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 2 41 . 1 1 261 261 ALA N N 15 0.795977280357 0.00921370034139 . . . . . . 1.3829324873e-37 1.51465577261e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 42 . 1 1 263 263 VAL N N 15 0.59686861929 0.00502724215657 . . . . 1.36385460367e-09 1.40365829144e-10 . . . 'S2f, S2, ts' 0.654365759094 0.00459134918442 0.912133024987 0.004240295591 . . . . . . . . . 26712 2 43 . 1 1 267 267 GLY N N 15 0.791156170333 0.00707690688805 7.51469392921e-12 2.35909261025e-12 . . . . 3.01774221591e-38 5.84436879174e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 44 . 1 1 269 269 GLU N N 15 0.847962367292 0.00698777072672 1.48067288717e-11 3.69524768151e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 45 . 1 1 270 270 GLN N N 15 0.845431274407 0.00546910249224 1.44281202007e-11 3.46511395852e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 46 . 1 1 272 272 TYR N N 15 0.82429797361 0.00818419655432 2.06649616982e-11 2.79172526564e-12 . . . . 6.16097782839e-38 9.66202939088e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 47 . 1 1 273 273 THR N N 15 0.804113107395 0.00662076063401 . . . . 6.49473624504e-10 1.36412030707e-10 . . . 'S2f, S2, ts' 0.831478958317 0.00590481035893 0.967087740888 0.00373770042909 . . . . . . . . . 26712 2 48 . 1 1 275 275 HIS N N 15 0.878953110308 0.00667032125874 1.01285364485e-11 4.06429767501e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 49 . 1 1 276 276 VAL N N 15 0.807823141505 0.00578555070678 7.27623634413e-12 2.25808539843e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 50 . 1 1 277 277 GLN N N 15 0.850373450133 0.00493431926777 5.27516036407e-12 2.81796911301e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 51 . 1 1 278 278 HIS N N 15 0.79003715822 0.00656251136791 1.14488247633e-11 1.82193804294e-12 . . . . 2.93304395471e-38 6.83801847729e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 52 . 1 1 279 279 GLU N N 15 0.739371813812 0.00666397258489 . . . . 1.42593091544e-09 7.92823765791e-10 . . . 'S2f, S2, ts' 0.777549020743 0.00619756582646 0.950900578727 0.00505358019536 . . . . . . . . . 26712 2 53 . 1 1 280 280 GLY N N 15 0.79217718989 0.0115900715933 8.55395041334e-12 3.20777713799e-12 . . . . 1.45992890764e-37 1.48059024006e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 54 . 1 1 287 287 LEU N N 15 0.838939162935 0.00627263872901 1.62343180163e-11 3.06682263649e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 55 . 1 1 288 288 ARG N N 15 0.807221854309 0.0046265102527 . . . . 5.01192969995e-10 7.41715884543e-11 . . . 'S2f, S2, ts' 0.839470510999 0.00426642260896 0.961584527071 0.0029739210103 . . . . . . . . . 26712 2 56 . 1 1 289 289 TRP N N 15 0.779177303745 0.00418537853224 . . . . 6.25720242865e-10 5.36434542352e-11 . . . 'S2f, S2, ts' 0.828621314938 0.00407100436842 0.940329785993 0.00307909774548 . . . . . . . . . 26712 2 57 . 1 1 290 290 GLU N N 15 0.651625291256 0.00265894910874 . . . . 5.2334092323e-10 1.22257625039e-11 . . . 'S2f, S2, ts' 0.79101984755 0.00262701822158 0.82377868681 0.00234231418458 . . . . . . . . . 26712 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 26712 _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 600 _Order_parameter_list.Rex_val_units s-1 _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 . 26712 3 2 '600.18 MHz R2' . . . 26712 3 3 '600.18 MHz steady-state NOE' . . . 26712 3 4 '750.46 MHz R1' . . . 26712 3 5 '750.46 MHz R2' . . . 26712 3 6 '750.46 MHz steady-state NOE' . . . 26712 3 7 '600.18 MHz R1' 1 $sample_1 . 26712 3 8 '600.18 MHz R2' . . . 26712 3 9 '600.18 MHz steady-state NOE' . . . 26712 3 10 '750.46 MHz R1' . . . 26712 3 11 '750.46 MHz R2' . . . 26712 3 12 '750.46 MHz steady-state NOE' . . . 26712 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 . . 26712 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 19 19 SER N N 15 0.8520117194 0.00703362073522 1.09592151448e-11 3.07056790885e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 2 . 1 1 21 21 ARG N N 15 0.906414963309 0.0187093154991 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 3 . 1 1 22 22 TYR N N 15 0.90482454806 0.0131503881503 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 4 . 1 1 27 27 VAL N N 15 0.859535501485 0.0130724959775 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 5 . 1 1 28 28 SER N N 15 0.942418846049 0.00922264312616 2.49516653165e-11 1.24487383081e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 6 . 1 1 31 31 GLY N N 15 0.334383423146 0.00800593707311 . . . . 9.84365918183e-10 5.95810416055e-11 . . . 'S2f, S2, ts' 0.533174297143 0.0220919527273 0.627155931818 0.02882123635 . . . . . . . . . 26712 3 7 . 1 1 33 33 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 3 8 . 1 1 34 34 GLU N N 15 0.632378051483 0.00585892350797 . . . . 1.56582547005e-09 3.16224069717e-10 . . . 'S2f, S2, ts' 0.737815953257 0.00772888298401 0.85709457581 0.00664483441985 . . . . . . . . . 26712 3 9 . 1 1 36 36 ARG N N 15 0.799203234737 0.0127675359238 . . . . 2.61544020917e-09 2.76602742616e-09 . . . 'S2f, S2, ts' 0.835051775116 0.00959538350553 0.957070278217 0.0125251519756 . . . . . . . . . 26712 3 10 . 1 1 37 37 PHE N N 15 0.840818364122 0.0143009207805 . . . . 1.2327151275e-09 2.32492441792e-09 . . . 'S2f, S2, ts' 0.867179305185 0.0122069349237 0.969601510431 0.00854854281399 . . . . . . . . . 26712 3 11 . 1 1 38 38 ILE N N 15 0.897684746586 0.00825653920498 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 12 . 1 1 39 39 THR N N 15 0.915561169604 0.0125108968873 . . . . . . 5.31038189649e-38 1.5234361847e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 13 . 1 1 41 41 GLY N N 15 0.86993654791 0.011067495021 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 14 . 1 1 44 44 ASP N N 15 0.87416057332 0.00623457311128 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 15 . 1 1 45 45 ASP N N 15 0.800234539181 0.0138123469187 . . . . 1.60619850121e-09 2.43889192713e-09 . . . 'S2f, S2, ts' 0.822178283838 0.011007736395 0.973310235614 0.00916152964447 . . . . . . . . . 26712 3 16 . 1 1 46 46 THR N N 15 0.863276549281 0.0130715897714 . . . . 2.50378864548e-09 2.56031814484e-09 . . . 'S2f, S2, ts' 0.87894531356 0.010318944061 0.982173220521 0.00666415701684 . . . . . . . . . 26712 3 17 . 1 1 47 47 LEU N N 15 0.845076890135 0.00704294543828 6.77413466379e-12 2.90500825382e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 18 . 1 1 49 49 VAL N N 15 0.96003301823 0.0229162293551 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 19 . 1 1 50 50 ARG N N 15 0.505306676033 0.0310390882652 . . 4.60659363221e-12 2.28327868025e-12 4.97846145457e-09 4.88699559706e-09 . . . 'S2f, tf, S2, ts' 0.600128533345 0.016330253736 0.841997419337 0.0645983223684 . . . . . . . . . 26712 3 20 . 1 1 51 51 PHE N N 15 0.844475590849 0.0133113103283 . . . . . . 7.17976812103e-38 1.55886362002e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 21 . 1 1 52 52 ASP N N 15 0.595782146939 0.00725990190702 . . . . 1.53761499526e-09 4.24727894295e-10 . . . 'S2f, S2, ts' 0.647022005069 0.00697807017356 0.920806622142 0.00574715780457 . . . . . . . . . 26712 3 22 . 1 1 53 53 SER N N 15 0.838844090695 0.0132664158542 1.03311910512e-11 4.13700241161e-12 . . . . 7.05766733371e-38 1.37122708042e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 3 23 . 1 1 54 54 ASP N N 15 0.865562499794 0.00933278084305 . . . . 7.57040065702e-10 1.46679646365e-10 . . . 'S2f, S2, ts' 0.9015307467 0.0086036451026 0.96010313898 0.00465517194944 . . . . . . . . . 26712 3 24 . 1 1 55 55 ALA N N 15 0.630190610427 0.00330093999785 . . 2.70997903699e-11 7.65450782456e-12 6.8266161487e-10 6.11520095892e-11 . . . 'S2f, tf, S2, ts' 0.761202354424 0.0134898317417 0.827888414578 0.014520260734 . . . . . . . . . 26712 3 25 . 1 1 56 56 ALA N N 15 0.122303774563 0.0636801193555 . . 1.2859079318e-11 2.60656719869e-12 2.96338917878e-09 2.01036937996e-09 3.40382578937e-37 4.84628197838e-38 . 'S2f, tf, S2, ts, Rex' 0.266096290188 0.0500344735265 0.459622246055 0.169833226798 . . . . . . . . . 26712 3 26 . 1 1 57 57 SER N N 15 0.550185169744 0.00751415010427 . . . . 8.43539703565e-10 5.20619761684e-11 . . . 'S2f, S2, ts' 0.681344559788 0.0101863521313 0.807499174743 0.0107944310153 . . . . . . . . . 26712 3 27 . 1 1 64 64 ALA N N 15 0.850398587577 0.0146480697637 . . . . . . 5.53677336992e-38 2.56582684237e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 28 . 1 1 66 66 TRP N N 15 0.919934341946 0.0104870529731 2.43828868082e-11 9.40907227284e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 29 . 1 1 67 67 ILE N N 15 0.939117066738 0.0162449083759 5.45078298233e-11 3.60556250418e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 30 . 1 1 68 68 GLU N N 15 0.92856301893 0.0186104755549 3.32359904446e-11 1.28644069874e-11 . . . . 4.8130868363e-38 2.39390783376e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 3 31 . 1 1 69 69 GLN N N 15 0.746414787288 0.00930199694009 . . . . 6.68912068587e-10 4.48570787494e-11 . . . 'S2f, S2, ts' 0.85952212448 0.0091731381661 0.86840671814 0.00613052728428 . . . . . . . . . 26712 3 32 . 1 1 70 70 GLU N N 15 0.905949915795 0.00887038874752 1.6271896932e-11 5.16981947387e-12 . . . . 5.26350000461e-38 1.1510285479e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 3 33 . 1 1 74 74 TYR N N 15 0.835609313574 0.0111513563948 . . . . 1.0049248839e-09 4.17517791443e-10 . . . 'S2f, S2, ts' 0.878765537545 0.0101022646644 0.950889944898 0.00535869734033 . . . . . . . . . 26712 3 34 . 1 1 75 75 TRP N N 15 0.915006206068 0.012261830378 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 35 . 1 1 77 77 ARG N N 15 0.865780643758 0.0159051305856 . . . . 9.72962981877e-10 8.25689489874e-10 . . . 'S2f, S2, ts' 0.897222028404 0.0146550837107 0.964956963096 0.00730195473275 . . . . . . . . . 26712 3 36 . 1 1 79 79 THR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 3 37 . 1 1 82 82 CYS N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 3 38 . 1 1 83 83 LYS N N 15 0.897549772188 0.0206347617041 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 39 . 1 1 84 84 ALA N N 15 0.658667062594 0.0189180218822 . . . . 1.21484930506e-09 2.80438949551e-10 . . . 'S2f, S2, ts' 0.73603553099 0.0175671937849 0.894884872892 0.0118403043169 . . . . . . . . . 26712 3 40 . 1 1 85 85 LYS N N 15 0.647837208213 0.00450536727016 . . 1.83286145633e-11 3.70970900352e-12 2.28276425144e-09 4.23051585054e-10 . . . 'S2f, tf, S2, ts' 0.739370064229 0.00624421110943 0.876201566111 0.0050335828528 . . . . . . . . . 26712 3 41 . 1 1 86 86 ALA N N 15 0.896078446233 0.0307048141469 . . . . . . 1.50890522574e-37 3.84977327354e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 42 . 1 1 87 87 GLN N N 15 0.911346812854 0.0175587094878 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 43 . 1 1 88 88 THR N N 15 0.740231824157 0.0277537203074 . . . . 1.50105623865e-09 1.58134427366e-09 . . . 'S2f, S2, ts' 0.799866804722 0.0234314340219 0.925443861136 0.0190327346098 . . . . . . . . . 26712 3 44 . 1 1 90 90 ARG N N 15 0.253928711281 0.00468140014577 . . . . 1.47209133666e-09 1.15457089908e-10 . . . 'S2f, S2, ts' 0.390766271555 0.00609815232781 0.649822489211 0.00935711819533 . . . . . . . . . 26712 3 45 . 1 1 91 91 GLU N N 15 0.833726524413 0.0260907594154 . . . . 1.34918912974e-09 2.62679011717e-09 . . . 'S2f, S2, ts' 0.8618808415 0.0208173287004 0.967333863649 0.0142463118709 . . . . . . . . . 26712 3 46 . 1 1 92 92 ASP N N 15 0.899737846626 0.0186244284555 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 47 . 1 1 93 93 LEU N N 15 0.933804326572 0.0173858523609 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 48 . 1 1 94 94 ARG N N 15 0.848779072412 0.0220888719195 . . . . 6.941878808e-10 1.91857447975e-09 . . . 'S2f, S2, ts' 0.872019742824 0.0378106090658 0.973348458446 0.0277884065953 . . . . . . . . . 26712 3 49 . 1 1 97 97 LEU N N 15 0.902219314152 0.00948121795172 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 50 . 1 1 98 98 ARG N N 15 0.880265528657 0.00766025137604 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 51 . 1 1 99 99 TYR N N 15 0.912563862707 0.0126769074308 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 52 . 1 1 100 100 TYR N N 15 0.798778442386 0.01562368906 . . . . 8.16731521706e-10 7.70411648239e-10 . . . 'S2f, S2, ts' 0.819076297832 0.0264884058013 0.97521860231 0.0193572571283 . . . . . . . . . 26712 3 53 . 1 1 102 102 GLN N N 15 0.827033729249 0.0121740228232 . . . . 4.03605956894e-09 4.37916962226e-09 . . . 'S2f, S2, ts' 0.852507592905 0.00807041943091 0.970118901155 0.0134222935704 . . . . . . . . . 26712 3 54 . 1 1 106 106 GLY N N 15 0.499998703962 0.012045527397 . . . . 6.19169052857e-10 4.42737294497e-11 . . . 'S2f, S2, ts' 0.708008528756 0.0210310003335 0.706204351579 0.0195895482779 . . . . . . . . . 26712 3 55 . 1 1 107 107 SER N N 15 0.673453672862 0.0103166402238 . . . . 7.08880816359e-10 1.03677369051e-10 . . . 'S2f, S2, ts' 0.735749860368 0.0110853917756 0.91532966452 0.00864643717967 . . . . . . . . . 26712 3 56 . 1 1 108 108 HIS N N 15 0.61147060165 0.00711386130529 . . . . 1.4573273269e-09 2.59245346139e-10 . . . 'S2f, S2, ts' 0.69507991636 0.00781831545078 0.879712659304 0.006369257043 . . . . . . . . . 26712 3 57 . 1 1 109 109 THR N N 15 0.802929399688 0.00721914218026 1.50040867889e-11 3.42587682502e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 58 . 1 1 110 110 LEU N N 15 0.906045158144 0.0170694568823 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 59 . 1 1 113 113 MET N N 15 0.909039446538 0.0395764412685 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 60 . 1 1 115 115 GLY N N 15 0.917172538567 0.0243485257576 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 61 . 1 1 116 116 CYS N N 15 0.801474235829 0.0230804194632 . . . . 1.40604002451e-09 2.58841184956e-09 . . . 'S2f, S2, ts' 0.82638329356 0.0223960807699 0.96985774286 0.0152792345947 . . . . . . . . . 26712 3 62 . 1 1 117 117 ASP N N 15 0.866650618219 0.0122067457739 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 63 . 1 1 118 118 VAL N N 15 0.868619334471 0.0177579103938 . . . . 5.82421372175e-10 7.35422939656e-10 . . . 'S2f, S2, ts' 0.886279979565 0.0343567781461 0.980073288915 0.0254952999319 . . . . . . . . . 26712 3 64 . 1 1 119 119 GLY N N 15 0.75873483708 0.0121424755664 . . . . 1.269795634e-09 1.17153151324e-09 . . . 'S2f, S2, ts' 0.79348340893 0.0106137767436 0.956207563309 0.00657083249895 . . . . . . . . . 26712 3 65 . 1 1 121 121 ASP N N 15 0.539418778165 0.00469940192366 . . . . 1.20924507814e-09 1.01805476172e-10 . . . 'S2f, S2, ts' 0.633943296707 0.00554139680869 0.850894363844 0.00577685260819 . . . . . . . . . 26712 3 66 . 1 1 122 122 GLY N N 15 0.67993023051 0.0612700325874 . . . . 1.4361616141e-09 2.95943506269e-10 9.39991847911e-38 4.91738418761e-38 . 'S2f, S2, ts, Rex' 0.755721888836 0.050966431712 0.899709589791 0.0224649886659 . . . . . . . . . 26712 3 67 . 1 1 123 123 ARG N N 15 0.817368849861 0.00674191809444 . . . . 8.91390929251e-10 7.46935552721e-11 . . . 'S2f, S2, ts' 0.88008230835 0.0060788563028 0.928741371239 0.00349590260184 . . . . . . . . . 26712 3 68 . 1 1 125 125 LEU N N 15 0.804500789913 0.0232095397253 . . . . 1.20135206848e-09 8.5635514229e-10 . . . 'S2f, S2, ts' 0.843583831142 0.0198305461234 0.953670234318 0.00864464040526 . . . . . . . . . 26712 3 69 . 1 1 126 126 ARG N N 15 0.78235900559 0.0255082198776 . . . . 9.30411865892e-10 9.85667313551e-10 . . . 'S2f, S2, ts' 0.814341497656 0.0261238221549 0.960725945861 0.0171453766654 . . . . . . . . . 26712 3 70 . 1 1 127 127 GLY N N 15 0.759375851 0.027617682532 . . . . 7.97856138181e-10 3.54499131951e-10 . . . 'S2f, S2, ts' 0.810278659386 0.0257801616324 0.937178638737 0.0151200596178 . . . . . . . . . 26712 3 71 . 1 1 128 128 TYR N N 15 0.852696313941 0.0119444409999 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 72 . 1 1 129 129 HIS N N 15 0.87049848921 0.0271576512644 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 73 . 1 1 130 130 GLN N N 15 . . . . . . . . 2.52510363144e-37 1.027903483e-37 . Rex . . . . . . . . . . . . . 26712 3 74 . 1 1 132 132 ALA N N 15 0.917043506839 0.0249589316645 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 75 . 1 1 134 134 ASP N N 15 0.774045996185 0.0878458541533 . . . . 1.16689086642e-09 1.99268543132e-09 1.18600816997e-37 6.65962145729e-38 . 'S2f, S2, ts, Rex' 0.810303149441 0.0793183876574 0.955254828664 0.0409501531171 . . . . . . . . . 26712 3 76 . 1 1 135 135 GLY N N 15 0.822497470289 0.04417163357 1.17342285139e-11 7.54087253985e-12 . . . . 1.45909636598e-37 5.28317967275e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 3 77 . 1 1 139 139 ILE N N 15 0.878930290792 0.0298682375023 1.86809822361e-11 1.17288952493e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 78 . 1 1 140 140 ALA N N 15 0.841955436548 0.0484082093263 . . . . . . 1.82440727041e-37 7.98167506308e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 79 . 1 1 141 141 LEU N N 15 0.900619221065 0.0158825520887 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 80 . 1 1 143 143 GLU N N 15 0.87064680083 0.00979384657003 2.24847149951e-11 6.29228190417e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 81 . 1 1 144 144 ASP N N 15 0.84314883431 0.00736843911228 . . . . 1.35789215352e-09 4.50416170333e-10 . . . 'S2f, S2, ts' 0.888695076147 0.0071426075899 0.948749303266 0.00419691161121 . . . . . . . . . 26712 3 82 . 1 1 145 145 LEU N N 15 0.944149635305 0.016826376121 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 83 . 1 1 146 146 SER N N 15 0.395235580128 0.184119549248 . . . . 2.71177609207e-09 2.99139326052e-09 3.20912911042e-37 1.36393443442e-37 . 'S2f, S2, ts, Rex' 0.489775819252 0.138562442125 0.806972424102 0.226304151756 . . . . . . . . . 26712 3 84 . 1 1 147 147 SER N N 15 0.69282481792 0.0189827954488 . . . . 7.4181927185e-10 1.73779912787e-10 . . . 'S2f, S2, ts' 0.740665625384 0.0175729806573 0.935408359961 0.0104530559024 . . . . . . . . . 26712 3 85 . 1 1 149 149 THR N N 15 0.792316526953 0.0107219988964 . . . . 1.16924792486e-09 2.17654033355e-09 . . . 'S2f, S2, ts' 0.809257820922 0.009278856081 0.979065640724 0.00587901754199 . . . . . . . . . 26712 3 86 . 1 1 150 150 ALA N N 15 0.773469942926 0.0131787641814 . . . . 1.949144369e-09 1.97366912295e-09 . . . 'S2f, S2, ts' 0.819157899017 0.0109667410719 0.944225702828 0.0107336808908 . . . . . . . . . 26712 3 87 . 1 1 151 151 ALA N N 15 0.472916887513 0.0465982934072 . . . . 7.25948188388e-09 4.98883672988e-09 . . . 'S2f, S2, ts' 0.637999080349 0.0234005038464 0.741250108472 0.0912939784258 . . . . . . . . . 26712 3 88 . 1 1 152 152 ASP N N 15 0.641304384063 0.0378225964377 . . . . 1.40156940864e-09 2.33709748422e-10 5.44489576289e-38 2.86450416682e-38 . 'S2f, S2, ts, Rex' 0.713342165089 0.0315881429376 0.899013706834 0.0142509766651 . . . . . . . . . 26712 3 89 . 1 1 153 153 THR N N 15 0.513245061838 0.166647834234 . . . . 1.80727012167e-09 2.62333618324e-09 1.91410042543e-37 1.21468578632e-37 . 'S2f, S2, ts, Rex' 0.607082701746 0.129928903378 0.845428572355 0.143892345831 . . . . . . . . . 26712 3 90 . 1 1 154 154 ALA N N 15 0.871563363591 0.0114657690651 . . . . 8.18854735201e-10 1.73662550092e-10 . . . 'S2f, S2, ts' 0.912092810933 0.0103711003762 0.955564338567 0.00544926498153 . . . . . . . . . 26712 3 91 . 1 1 155 155 ALA N N 15 0.827519460508 0.0186723733606 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 92 . 1 1 156 156 GLN N N 15 0.890379662917 0.0117344815902 2.13594710897e-11 7.14913037821e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 93 . 1 1 157 157 ILE N N 15 0.461486064432 0.158810647644 . . . . 2.47825938836e-09 3.26088603453e-09 3.5068460364e-37 1.25128676082e-37 . 'S2f, S2, ts, Rex' 0.547520683874 0.118434646751 0.842865078956 0.157495867133 . . . . . . . . . 26712 3 94 . 1 1 158 158 THR N N 15 0.892159980647 0.020052688722 1.67989433993e-11 1.02053826877e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 95 . 1 1 160 160 ARG N N 15 0.936207371965 0.0139174536363 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 96 . 1 1 161 161 LYS N N 15 0.832158171799 0.0193700444467 . . . . 1.2094716573e-09 1.62898869629e-09 . . . 'S2f, S2, ts' 0.860415434049 0.016552275092 0.967158582782 0.00744197317081 . . . . . . . . . 26712 3 97 . 1 1 163 163 GLU N N 15 0.822322143494 0.0276367515079 . . . . 1.86647831424e-09 3.23350761489e-09 . . . 'S2f, S2, ts' 0.857012235898 0.0213253051028 0.959522057036 0.0175180927695 . . . . . . . . . 26712 3 98 . 1 1 164 164 ALA N N 15 1.66453989739e-15 0.0579523236398 . . . . 2.29337393785e-09 4.14368721616e-10 3.95934538913e-37 5.4936969253e-38 . 'S2f, S2, ts, Rex' 0.176611136022 0.0479261533715 -6.85590092834e-13 0.190930438411 . . . . . . . . . 26712 3 99 . 1 1 165 165 ALA N N 15 0.840499860523 0.0178686153741 9.50286958533e-12 5.26259754434e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 100 . 1 1 167 167 VAL N N 15 0.931106644994 0.0277453199656 . . . . 9.61829605847e-10 2.00054684941e-09 . . . 'S2f, S2, ts' 0.957979868047 0.0246763393484 0.971948029442 0.00980989243517 . . . . . . . . . 26712 3 101 . 1 1 168 168 ALA N N 15 0.940765339629 0.0201238319818 2.97026770598e-11 4.57384261983e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 102 . 1 1 170 170 GLN N N 15 0.899355455137 0.0257856784648 . . . . 6.74772069807e-10 4.96414830452e-10 . . . 'S2f, S2, ts' 0.935686032906 0.0234533879065 0.961172255978 0.00963695292066 . . . . . . . . . 26712 3 103 . 1 1 172 172 ARG N N 15 0.936987247963 0.0294388866711 5.8923425889e-11 1.36991058852e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 104 . 1 1 173 173 ALA N N 15 0.912539435156 0.0179030633865 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 105 . 1 1 174 174 TYR N N 15 0.840149121266 0.0286469536589 . . . . 7.41125032884e-10 4.86400156598e-10 . . . 'S2f, S2, ts' 0.873210563393 0.0302595996261 0.962138064388 0.0150564645187 . . . . . . . . . 26712 3 106 . 1 1 175 175 LEU N N 15 0.905516603771 0.0373551823528 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 107 . 1 1 176 176 GLU N N 15 0.70960913387 0.0283497050193 . . . . 1.18587865435e-09 1.45885703968e-09 . . . 'S2f, S2, ts' 0.748411945197 0.0240181221387 0.948153137352 0.0135048450988 . . . . . . . . . 26712 3 108 . 1 1 177 177 GLY N N 15 0.757161834976 0.0120952365236 . . . . 1.1446216404e-09 1.79208721653e-10 . . . 'S2f, S2, ts' 0.803324004442 0.0107143566216 0.942536051166 0.0051060150195 . . . . . . . . . 26712 3 109 . 1 1 178 178 GLU N N 15 0.769586698034 0.0156636356557 . . . . 7.83700717628e-10 1.74899449573e-10 . . . 'S2f, S2, ts' 0.815426335044 0.013968325142 0.943784453555 0.00750799392362 . . . . . . . . . 26712 3 110 . 1 1 179 179 CYS N N 15 0.886447870077 0.0254479736753 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 111 . 1 1 180 180 VAL N N 15 0.82116611205 0.0129890041494 6.09740168339e-12 3.82031028648e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 112 . 1 1 181 181 GLU N N 15 0.766259133189 0.0229744242767 . . . . 3.63796752443e-09 4.07426870228e-09 . . . 'S2f, S2, ts' 0.809689716101 0.0175211947791 0.946361449271 0.0229442999568 . . . . . . . . . 26712 3 113 . 1 1 185 185 ARG N N 15 0.943929401648 0.0137352696025 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 114 . 1 1 187 187 LEU N N 15 0.836358796859 0.0152993217022 . . . . . . 8.11504540285e-38 2.42278315051e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 115 . 1 1 188 188 GLU N N 15 0.899170393953 0.0177352609374 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 116 . 1 1 191 191 LYS N N 15 0.938688167889 0.00850856124689 4.2767902119e-11 1.04954703253e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 117 . 1 1 192 192 GLU N N 15 0.872080966833 0.0102590970007 . . . . 1.20507385203e-09 6.06092608918e-10 . . . 'S2f, S2, ts' 0.920903400229 0.00951050836427 0.946984196839 0.00564466555077 . . . . . . . . . 26712 3 118 . 1 1 193 193 THR N N 15 0.900308419571 0.0259469577865 . . . . 7.29656640137e-10 3.34962657005e-10 . . . 'S2f, S2, ts' 0.940689020277 0.0227048366212 0.957073379368 0.00921691126327 . . . . . . . . . 26712 3 119 . 1 1 195 195 GLN N N 15 0.817268522935 0.0148195771407 . . . . 6.69565557223e-10 2.55916096454e-10 . . . 'S2f, S2, ts' 0.851950087373 0.0131044676362 0.959291553634 0.00759322080649 . . . . . . . . . 26712 3 stop_ save_ save_Tensor_data_bn _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_bn _Tensor_list.Entry_ID 26712 _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: 1.02281685497.' loop_ _Tensor.ID _Tensor.Interatomic_distance_list_ID _Tensor.Interatomic_dist_set_ID _Tensor.Calc_type_ID _Tensor.Assembly_atom_ID _Tensor.Entity_assembly_ID _Tensor.Entity_ID _Tensor.Comp_index_ID _Tensor.Seq_ID _Tensor.Comp_ID _Tensor.Atom_ID _Tensor.Atom_type _Tensor.Atom_isotope_number _Tensor.Axial_sym_axis_polar_angle _Tensor.Axial_sym_axis_aximuthal_angle _Tensor.Isotropic_val _Tensor.Anisotropic_val _Tensor.Rhombic_val _Tensor.Euler_angle_alpha _Tensor.Euler_angle_beta _Tensor.Euler_angle_gamma _Tensor.Isotropic_comp_1_1_val _Tensor.Isotropic_comp_2_2_val _Tensor.Isotropic_comp_3_3_val _Tensor.Anti_sym_comp_1_2_val _Tensor.Anti_sym_comp_1_3_val _Tensor.Anti_sym_comp_2_3_val _Tensor.Sym_traceless_comp_1_1_val _Tensor.Sym_traceless_comp_1_2_val _Tensor.Sym_traceless_comp_1_3_val _Tensor.Sym_traceless_comp_2_2_val _Tensor.Sym_traceless_comp_2_3_val _Tensor.Reduceable_matrix_1_1_val _Tensor.Reduceable_matrix_1_2_val _Tensor.Reduceable_matrix_1_3_val _Tensor.Reduceable_matrix_2_1_val _Tensor.Reduceable_matrix_2_2_val _Tensor.Reduceable_matrix_2_3_val _Tensor.Reduceable_matrix_3_1_val _Tensor.Reduceable_matrix_3_2_val _Tensor.Reduceable_matrix_3_3_val _Tensor.Auth_entity_assembly_ID _Tensor.Auth_seq_ID _Tensor.Auth_comp_ID _Tensor.Auth_atom_ID _Tensor.Entry_ID _Tensor.Tensor_list_ID 1 . . . . 2 2 3 3 GLN N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 2 . . . . 2 2 8 8 ILE N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 3 . . . . 2 2 9 9 GLN N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 4 . . . . 2 2 12 12 SER N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 5 . . . . 2 2 13 13 ARG N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 6 . . . . 2 2 14 14 HIS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 7 . . . . 2 2 17 17 GLU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 8 . . . . 2 2 19 19 GLY N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 9 . . . . 2 2 20 20 LYS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 10 . . . . 2 2 23 23 PHE N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 11 . . . . 2 2 25 25 ASN N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 12 . . . . 2 2 26 26 CYS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 13 . . . . 2 2 27 27 TYR N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 14 . . . . 2 2 29 29 SER N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 15 . . . . 2 2 30 30 GLY N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 16 . . . . 2 2 31 31 PHE N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 17 . . . . 2 2 34 34 SER N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 18 . . . . 2 2 35 35 ASP N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 19 . . . . 2 2 37 37 GLU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 20 . . . . 2 2 38 38 VAL N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 21 . . . . 2 2 40 40 LEU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 22 . . . . 2 2 41 41 LEU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 23 . . . . 2 2 43 43 ASN N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 24 . . . . 2 2 44 44 GLY N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 25 . . . . 2 2 45 45 GLU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 26 . . . . 2 2 46 46 ARG N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 27 . . . . 2 2 47 47 ILE N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 28 . . . . 2 2 48 48 GLU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 29 . . . . 2 2 49 49 LYS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 30 . . . . 2 2 51 51 GLU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 31 . . . . 2 2 52 52 HIS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 32 . . . . 2 2 53 53 SER N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 33 . . . . 2 2 54 54 ASP N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 34 . . . . 2 2 55 55 LEU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 35 . . . . 2 2 56 56 SER N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 36 . . . . 2 2 57 57 PHE N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 37 . . . . 2 2 58 58 SER N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 38 . . . . 2 2 60 60 ASP N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 39 . . . . 2 2 61 61 TRP N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 40 . . . . 2 2 61 61 TRP NE1 N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 41 . . . . 2 2 62 62 SER N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 42 . . . . 2 2 63 63 PHE N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 43 . . . . 2 2 64 64 TYR N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 44 . . . . 2 2 65 65 LEU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 45 . . . . 2 2 66 66 LEU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 46 . . . . 2 2 67 67 TYR N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 47 . . . . 2 2 68 68 TYR N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 48 . . . . 2 2 69 69 THR N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 49 . . . . 2 2 70 70 GLU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 50 . . . . 2 2 71 71 PHE N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 51 . . . . 2 2 72 72 THR N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 52 . . . . 2 2 74 74 THR N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 53 . . . . 2 2 75 75 GLU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 54 . . . . 2 2 76 76 LYS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 55 . . . . 2 2 77 77 ASP N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 56 . . . . 2 2 79 79 TYR N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 57 . . . . 2 2 81 81 CYS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 58 . . . . 2 2 82 82 ARG N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 59 . . . . 2 2 83 83 VAL N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 60 . . . . 2 2 84 84 ASN N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 61 . . . . 2 2 85 85 HIS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 62 . . . . 2 2 86 86 VAL N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 63 . . . . 2 2 87 87 THR N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 64 . . . . 2 2 88 88 LEU N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 65 . . . . 2 2 90 90 GLN N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 66 . . . . 2 2 92 92 LYS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 67 . . . . 2 2 93 93 ILE N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 68 . . . . 2 2 94 94 VAL N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 69 . . . . 2 2 95 95 LYS N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 70 . . . . 2 2 96 96 TRP N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 71 . . . . 2 2 96 96 TRP NE1 N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 72 . . . . 2 2 97 97 ASP N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 73 . . . . 2 2 98 98 ARG N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 74 . . . . 2 2 99 99 ASP N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 75 . . . . 2 2 100 100 MET N N 15 2.39804295542 . 7282698.73633 2423424.92887 . . . . . . . . . . . . . . . 6776260.27214 493782.92488 629048.357119 493782.92488 7283934.79726 1030671.58966 629048.357119 1030671.58966 7787901.13959 . . . . 26712 1 stop_ save_ save_Tensor_data_bottom _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_bottom _Tensor_list.Entry_ID 26712 _Tensor_list.ID 2 _Tensor_list.Tensor_type diffusion _Tensor_list.Tensor_shape . _Tensor_list.Matrix_val_units s-1 _Tensor_list.Isotropic_val_type . _Tensor_list.Angle_units rad _Tensor_list.Isotropic_val_formula 'Diso = 1/(6.tm)' _Tensor_list.Anisotropic_val_formula 'Da = Dpar - Dper' _Tensor_list.Rhombic_val_formula 'Dr = (Dy - Dx)/2Da' _Tensor_list.Euler_angle_type zyz _Tensor_list.Details . loop_ _Tensor.ID _Tensor.Interatomic_distance_list_ID _Tensor.Interatomic_dist_set_ID _Tensor.Calc_type_ID _Tensor.Assembly_atom_ID _Tensor.Entity_assembly_ID _Tensor.Entity_ID _Tensor.Comp_index_ID _Tensor.Seq_ID _Tensor.Comp_ID _Tensor.Atom_ID _Tensor.Atom_type _Tensor.Atom_isotope_number _Tensor.Axial_sym_axis_polar_angle _Tensor.Axial_sym_axis_aximuthal_angle _Tensor.Isotropic_val _Tensor.Anisotropic_val _Tensor.Rhombic_val _Tensor.Euler_angle_alpha _Tensor.Euler_angle_beta _Tensor.Euler_angle_gamma _Tensor.Isotropic_comp_1_1_val _Tensor.Isotropic_comp_2_2_val _Tensor.Isotropic_comp_3_3_val _Tensor.Anti_sym_comp_1_2_val _Tensor.Anti_sym_comp_1_3_val _Tensor.Anti_sym_comp_2_3_val _Tensor.Sym_traceless_comp_1_1_val _Tensor.Sym_traceless_comp_1_2_val _Tensor.Sym_traceless_comp_1_3_val _Tensor.Sym_traceless_comp_2_2_val _Tensor.Sym_traceless_comp_2_3_val _Tensor.Reduceable_matrix_1_1_val _Tensor.Reduceable_matrix_1_2_val _Tensor.Reduceable_matrix_1_3_val _Tensor.Reduceable_matrix_2_1_val _Tensor.Reduceable_matrix_2_2_val _Tensor.Reduceable_matrix_2_3_val _Tensor.Reduceable_matrix_3_1_val _Tensor.Reduceable_matrix_3_2_val _Tensor.Reduceable_matrix_3_3_val _Tensor.Auth_entity_assembly_ID _Tensor.Auth_seq_ID _Tensor.Auth_comp_ID _Tensor.Auth_atom_ID _Tensor.Entry_ID _Tensor.Tensor_list_ID 1 . . . . 1 1 201 201 LYS N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 2 . . . . 1 1 203 203 HIS N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 3 . . . . 1 1 205 205 THR N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 4 . . . . 1 1 206 206 HIS N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 5 . . . . 1 1 209 209 ILE N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 6 . . . . 1 1 210 210 SER N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 7 . . . . 1 1 212 212 HIS N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 8 . . . . 1 1 213 213 GLU N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 9 . . . . 1 1 214 214 ALA N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 10 . . . . 1 1 215 215 THR N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 11 . . . . 1 1 218 218 CYS N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 12 . . . . 1 1 219 219 TRP N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 13 . . . . 1 1 220 220 ALA N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 14 . . . . 1 1 222 222 GLY N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 15 . . . . 1 1 223 223 PHE N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 16 . . . . 1 1 224 224 TYR N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 17 . . . . 1 1 228 228 ILE N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 18 . . . . 1 1 229 229 THR N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 19 . . . . 1 1 231 231 THR N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 20 . . . . 1 1 233 233 GLN N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 21 . . . . 1 1 234 234 ARG N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 22 . . . . 1 1 235 235 ASP N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 23 . . . . 1 1 236 236 GLY N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 24 . . . . 1 1 237 237 GLU N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 25 . . . . 1 1 242 242 ASP N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 26 . . . . 1 1 243 243 THR N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 27 . . . . 1 1 244 244 GLU N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 28 . . . . 1 1 245 245 LEU N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 29 . . . . 1 1 246 246 VAL N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 30 . . . . 1 1 247 247 GLU N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 31 . . . . 1 1 249 249 ARG N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 32 . . . . 1 1 251 251 ALA N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 33 . . . . 1 1 252 252 GLY N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 34 . . . . 1 1 253 253 ASP N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 35 . . . . 1 1 254 254 ARG N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 36 . . . . 1 1 255 255 THR N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 37 . . . . 1 1 256 256 PHE N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 38 . . . . 1 1 257 257 GLN N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 39 . . . . 1 1 259 259 TRP N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 40 . . . . 1 1 260 260 ALA N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 41 . . . . 1 1 261 261 ALA N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 42 . . . . 1 1 263 263 VAL N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 43 . . . . 1 1 267 267 GLY N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 44 . . . . 1 1 269 269 GLU N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 45 . . . . 1 1 270 270 GLN N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 46 . . . . 1 1 272 272 TYR N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 47 . . . . 1 1 273 273 THR N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 48 . . . . 1 1 275 275 HIS N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 49 . . . . 1 1 276 276 VAL N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 50 . . . . 1 1 277 277 GLN N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 51 . . . . 1 1 278 278 HIS N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 52 . . . . 1 1 279 279 GLU N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 53 . . . . 1 1 280 280 GLY N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 54 . . . . 1 1 287 287 LEU N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 55 . . . . 1 1 288 288 ARG N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 56 . . . . 1 1 289 289 TRP N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 57 . . . . 1 1 290 290 GLU N N 15 . . 8932672.00062 . 0.255440310783 2.90807913221 1.2768172236 0.0916236150537 . . . . . . . . . . . 10408933.3167 -250650.722247 -934174.423005 -250650.722247 8682358.75884 -209850.32054 -934174.423005 -209850.32054 7706723.92635 . . . . 26712 2 stop_ save_ save_Tensor_data_top _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_top _Tensor_list.Entry_ID 26712 _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: 0.825616856575.' 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 19 19 SER N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 2 . . . . 1 1 21 21 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 3 . . . . 1 1 22 22 TYR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 4 . . . . 1 1 27 27 VAL N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 5 . . . . 1 1 28 28 SER N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 6 . . . . 1 1 31 31 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 7 . . . . 1 1 33 33 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 8 . . . . 1 1 34 34 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 9 . . . . 1 1 36 36 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 10 . . . . 1 1 37 37 PHE N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 11 . . . . 1 1 38 38 ILE N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 12 . . . . 1 1 39 39 THR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 13 . . . . 1 1 41 41 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 14 . . . . 1 1 44 44 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 15 . . . . 1 1 45 45 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 16 . . . . 1 1 46 46 THR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 17 . . . . 1 1 47 47 LEU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 18 . . . . 1 1 49 49 VAL N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 19 . . . . 1 1 50 50 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 20 . . . . 1 1 51 51 PHE N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 21 . . . . 1 1 52 52 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 22 . . . . 1 1 53 53 SER N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 23 . . . . 1 1 54 54 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 24 . . . . 1 1 55 55 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 25 . . . . 1 1 56 56 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 26 . . . . 1 1 57 57 SER N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 27 . . . . 1 1 64 64 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 28 . . . . 1 1 66 66 TRP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 29 . . . . 1 1 67 67 ILE N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 30 . . . . 1 1 68 68 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 31 . . . . 1 1 69 69 GLN N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 32 . . . . 1 1 70 70 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 33 . . . . 1 1 74 74 TYR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 34 . . . . 1 1 75 75 TRP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 35 . . . . 1 1 77 77 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 36 . . . . 1 1 79 79 THR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 37 . . . . 1 1 82 82 CYS N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 38 . . . . 1 1 83 83 LYS N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 39 . . . . 1 1 84 84 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 40 . . . . 1 1 85 85 LYS N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 41 . . . . 1 1 86 86 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 42 . . . . 1 1 87 87 GLN N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 43 . . . . 1 1 88 88 THR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 44 . . . . 1 1 90 90 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 45 . . . . 1 1 91 91 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 46 . . . . 1 1 92 92 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 47 . . . . 1 1 93 93 LEU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 48 . . . . 1 1 94 94 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 49 . . . . 1 1 97 97 LEU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 50 . . . . 1 1 98 98 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 51 . . . . 1 1 99 99 TYR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 52 . . . . 1 1 100 100 TYR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 53 . . . . 1 1 102 102 GLN N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 54 . . . . 1 1 106 106 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 55 . . . . 1 1 107 107 SER N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 56 . . . . 1 1 108 108 HIS N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 57 . . . . 1 1 109 109 THR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 58 . . . . 1 1 110 110 LEU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 59 . . . . 1 1 113 113 MET N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 60 . . . . 1 1 115 115 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 61 . . . . 1 1 116 116 CYS N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 62 . . . . 1 1 117 117 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 63 . . . . 1 1 118 118 VAL N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 64 . . . . 1 1 119 119 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 65 . . . . 1 1 121 121 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 66 . . . . 1 1 122 122 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 67 . . . . 1 1 123 123 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 68 . . . . 1 1 125 125 LEU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 69 . . . . 1 1 126 126 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 70 . . . . 1 1 127 127 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 71 . . . . 1 1 128 128 TYR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 72 . . . . 1 1 129 129 HIS N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 73 . . . . 1 1 130 130 GLN N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 74 . . . . 1 1 132 132 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 75 . . . . 1 1 134 134 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 76 . . . . 1 1 135 135 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 77 . . . . 1 1 139 139 ILE N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 78 . . . . 1 1 140 140 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 79 . . . . 1 1 141 141 LEU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 80 . . . . 1 1 143 143 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 81 . . . . 1 1 144 144 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 82 . . . . 1 1 145 145 LEU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 83 . . . . 1 1 146 146 SER N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 84 . . . . 1 1 147 147 SER N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 85 . . . . 1 1 149 149 THR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 86 . . . . 1 1 150 150 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 87 . . . . 1 1 151 151 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 88 . . . . 1 1 152 152 ASP N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 89 . . . . 1 1 153 153 THR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 90 . . . . 1 1 154 154 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 91 . . . . 1 1 155 155 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 92 . . . . 1 1 156 156 GLN N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 93 . . . . 1 1 157 157 ILE N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 94 . . . . 1 1 158 158 THR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 95 . . . . 1 1 160 160 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 96 . . . . 1 1 161 161 LYS N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 97 . . . . 1 1 163 163 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 98 . . . . 1 1 164 164 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 99 . . . . 1 1 165 165 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 100 . . . . 1 1 167 167 VAL N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 101 . . . . 1 1 168 168 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 102 . . . . 1 1 170 170 GLN N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 103 . . . . 1 1 172 172 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 104 . . . . 1 1 173 173 ALA N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 105 . . . . 1 1 174 174 TYR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 106 . . . . 1 1 175 175 LEU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 107 . . . . 1 1 176 176 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 108 . . . . 1 1 177 177 GLY N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 109 . . . . 1 1 178 178 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 110 . . . . 1 1 179 179 CYS N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 111 . . . . 1 1 180 180 VAL N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 112 . . . . 1 1 181 181 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 113 . . . . 1 1 185 185 ARG N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 114 . . . . 1 1 187 187 LEU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 115 . . . . 1 1 188 188 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 116 . . . . 1 1 191 191 LYS N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 117 . . . . 1 1 192 192 GLU N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 118 . . . . 1 1 193 193 THR N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 119 . . . . 1 1 195 195 GLN N N 15 3.93774945372 . 7393324.60779 -1774901.85286 . . . . . . . . . . . . . . . 7568106.82 451806.903345 601644.474305 451806.903345 7495265.32027 -652095.461251 601644.474305 -652095.461251 7116601.68311 . . . . 26712 3 stop_ save_