data_26713 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26713 _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 TIS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-05 _Entry.Accession_date 2015-12-05 _Entry.Last_release_date 2015-12-22 _Entry.Original_release_date 2015-12-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Relaxation and model-free data from beta-2-microglobulin and the heavy chain of the MHC class I complex HLA-B*27:09 in complex with the nonamer peptide TIS (RRLPIFSRL). ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Martin Ballaschk . . . . 26713 2 Andreas Ziegler . . . . 26713 3 Barbara Uchanska-Ziegler . . . . 26713 4 Anne Diehl . . . . 26713 5 Peter Schmieder . . . . 26713 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 6 26713 order_parameters 3 26713 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'General relaxation values' 980 26713 'chemical shift anisotropy values' 245 26713 'heteronuclear NOE values' 490 26713 'order parameters' 245 26713 tensors 245 26713 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 . 26713 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19116 'Chemical shifts for the beta-2 Microglobulin subunit of HLA-B*27:09/TIS' 26713 BMRB 25715 'Chemical shifts for the heavy chain of of HLA-B*27:09/TIS' 26713 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' 26713 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' 26713 BMRB 26712 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:09 in complex with the peptide pVIPR' 26713 BMRB 26714 'Relaxation and model-free data from human beta-2-microglobulin' 26713 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 26713 _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. . . 26713 1 2 Edward d'Auvergne . J. . . 26713 1 3 Murray Coles C H . . 26713 1 4 Tony Velkov V H . . 26713 1 5 Yanni Chen C H . . 26713 1 6 William Charman . N. . . 26713 1 7 Richard Prankerd P H . . 26713 1 8 Paul Gooley . R. . . 26713 1 9 Martin J. . Scanlon . . 26713 1 stop_ save_ save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 26713 _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. . . 26713 2 2 Paul Gooley P. R. . . 26713 2 stop_ save_ save_entry_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_3 _Citation.Entry_ID 26713 _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. . . 26713 3 2 Paul Gooley P. R. . . 26713 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26713 _Assembly.ID 1 _Assembly.Name B2705/TIS _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'heavy chain' 1 $1w0w-hkca_mol1 A . yes native no no . 'antigen binding' . 26713 1 2 b2m 2 $1w0w-hkca_mol2 B . yes native no no . structural . 26713 1 3 TIS 3 $1w0w-hkca_mol3 C . no native no no . antigen . 26713 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 . . . . . . . . . . 26713 1 2 disulfide single . 1 . 1 CYS 218 218 SG . 1 . 1 CYS 274 274 SG . . . . . . . . . . 26713 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . . . . . . . . 26713 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_1w0w-hkca_mol1 _Entity.Sf_category entity _Entity.Sf_framecode 1w0w-hkca_mol1 _Entity.Entry_ID 26713 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 1w0w-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 DGRLLRGYHQHAYDGKDYIA LNEDLSSWTAADTAAQITQR KWEAARVAEQLRAYLEGECV EWLRRYLENGKETLQRADPP KTHVTHHPISDHEATLRCWA LGFYPAEITLTWQRDGEDQT QDTELVETRPAGDRTFQKWA AVVVPSGEEQRYTCHVQHEG LPKPLTLRWEPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -14, M -13, A -12, H ...... 275, E 276, P 277, S ; _Entity.Polymer_author_seq_details ; Residues 1-15 (-14-0) represent a non-native affinity tag. This is the extracellular domain of a membrane protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 292 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'HLA-B*27:09, extracellular domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -14 MET . 26713 1 2 -13 ALA . 26713 1 3 -12 HIS . 26713 1 4 -11 HIS . 26713 1 5 -10 HIS . 26713 1 6 -9 HIS . 26713 1 7 -8 HIS . 26713 1 8 -7 HIS . 26713 1 9 -6 VAL . 26713 1 10 -5 ASP . 26713 1 11 -4 ASP . 26713 1 12 -3 ASP . 26713 1 13 -2 ASP . 26713 1 14 -1 LYS . 26713 1 15 0 ILE . 26713 1 16 1 GLY . 26713 1 17 2 SER . 26713 1 18 3 HIS . 26713 1 19 4 SER . 26713 1 20 5 MET . 26713 1 21 6 ARG . 26713 1 22 7 TYR . 26713 1 23 8 PHE . 26713 1 24 9 HIS . 26713 1 25 10 THR . 26713 1 26 11 SER . 26713 1 27 12 VAL . 26713 1 28 13 SER . 26713 1 29 14 ARG . 26713 1 30 15 PRO . 26713 1 31 16 GLY . 26713 1 32 17 ARG . 26713 1 33 18 GLY . 26713 1 34 19 GLU . 26713 1 35 20 PRO . 26713 1 36 21 ARG . 26713 1 37 22 PHE . 26713 1 38 23 ILE . 26713 1 39 24 THR . 26713 1 40 25 VAL . 26713 1 41 26 GLY . 26713 1 42 27 TYR . 26713 1 43 28 VAL . 26713 1 44 29 ASP . 26713 1 45 30 ASP . 26713 1 46 31 THR . 26713 1 47 32 LEU . 26713 1 48 33 PHE . 26713 1 49 34 VAL . 26713 1 50 35 ARG . 26713 1 51 36 PHE . 26713 1 52 37 ASP . 26713 1 53 38 SER . 26713 1 54 39 ASP . 26713 1 55 40 ALA . 26713 1 56 41 ALA . 26713 1 57 42 SER . 26713 1 58 43 PRO . 26713 1 59 44 ARG . 26713 1 60 45 GLU . 26713 1 61 46 GLU . 26713 1 62 47 PRO . 26713 1 63 48 ARG . 26713 1 64 49 ALA . 26713 1 65 50 PRO . 26713 1 66 51 TRP . 26713 1 67 52 ILE . 26713 1 68 53 GLU . 26713 1 69 54 GLN . 26713 1 70 55 GLU . 26713 1 71 56 GLY . 26713 1 72 57 PRO . 26713 1 73 58 GLU . 26713 1 74 59 TYR . 26713 1 75 60 TRP . 26713 1 76 61 ASP . 26713 1 77 62 ARG . 26713 1 78 63 GLU . 26713 1 79 64 THR . 26713 1 80 65 GLN . 26713 1 81 66 ILE . 26713 1 82 67 CYS . 26713 1 83 68 LYS . 26713 1 84 69 ALA . 26713 1 85 70 LYS . 26713 1 86 71 ALA . 26713 1 87 72 GLN . 26713 1 88 73 THR . 26713 1 89 74 ASP . 26713 1 90 75 ARG . 26713 1 91 76 GLU . 26713 1 92 77 ASP . 26713 1 93 78 LEU . 26713 1 94 79 ARG . 26713 1 95 80 THR . 26713 1 96 81 LEU . 26713 1 97 82 LEU . 26713 1 98 83 ARG . 26713 1 99 84 TYR . 26713 1 100 85 TYR . 26713 1 101 86 ASN . 26713 1 102 87 GLN . 26713 1 103 88 SER . 26713 1 104 89 GLU . 26713 1 105 90 ALA . 26713 1 106 91 GLY . 26713 1 107 92 SER . 26713 1 108 93 HIS . 26713 1 109 94 THR . 26713 1 110 95 LEU . 26713 1 111 96 GLN . 26713 1 112 97 ASN . 26713 1 113 98 MET . 26713 1 114 99 TYR . 26713 1 115 100 GLY . 26713 1 116 101 CYS . 26713 1 117 102 ASP . 26713 1 118 103 VAL . 26713 1 119 104 GLY . 26713 1 120 105 PRO . 26713 1 121 106 ASP . 26713 1 122 107 GLY . 26713 1 123 108 ARG . 26713 1 124 109 LEU . 26713 1 125 110 LEU . 26713 1 126 111 ARG . 26713 1 127 112 GLY . 26713 1 128 113 TYR . 26713 1 129 114 HIS . 26713 1 130 115 GLN . 26713 1 131 116 HIS . 26713 1 132 117 ALA . 26713 1 133 118 TYR . 26713 1 134 119 ASP . 26713 1 135 120 GLY . 26713 1 136 121 LYS . 26713 1 137 122 ASP . 26713 1 138 123 TYR . 26713 1 139 124 ILE . 26713 1 140 125 ALA . 26713 1 141 126 LEU . 26713 1 142 127 ASN . 26713 1 143 128 GLU . 26713 1 144 129 ASP . 26713 1 145 130 LEU . 26713 1 146 131 SER . 26713 1 147 132 SER . 26713 1 148 133 TRP . 26713 1 149 134 THR . 26713 1 150 135 ALA . 26713 1 151 136 ALA . 26713 1 152 137 ASP . 26713 1 153 138 THR . 26713 1 154 139 ALA . 26713 1 155 140 ALA . 26713 1 156 141 GLN . 26713 1 157 142 ILE . 26713 1 158 143 THR . 26713 1 159 144 GLN . 26713 1 160 145 ARG . 26713 1 161 146 LYS . 26713 1 162 147 TRP . 26713 1 163 148 GLU . 26713 1 164 149 ALA . 26713 1 165 150 ALA . 26713 1 166 151 ARG . 26713 1 167 152 VAL . 26713 1 168 153 ALA . 26713 1 169 154 GLU . 26713 1 170 155 GLN . 26713 1 171 156 LEU . 26713 1 172 157 ARG . 26713 1 173 158 ALA . 26713 1 174 159 TYR . 26713 1 175 160 LEU . 26713 1 176 161 GLU . 26713 1 177 162 GLY . 26713 1 178 163 GLU . 26713 1 179 164 CYS . 26713 1 180 165 VAL . 26713 1 181 166 GLU . 26713 1 182 167 TRP . 26713 1 183 168 LEU . 26713 1 184 169 ARG . 26713 1 185 170 ARG . 26713 1 186 171 TYR . 26713 1 187 172 LEU . 26713 1 188 173 GLU . 26713 1 189 174 ASN . 26713 1 190 175 GLY . 26713 1 191 176 LYS . 26713 1 192 177 GLU . 26713 1 193 178 THR . 26713 1 194 179 LEU . 26713 1 195 180 GLN . 26713 1 196 181 ARG . 26713 1 197 182 ALA . 26713 1 198 183 ASP . 26713 1 199 184 PRO . 26713 1 200 185 PRO . 26713 1 201 186 LYS . 26713 1 202 187 THR . 26713 1 203 188 HIS . 26713 1 204 189 VAL . 26713 1 205 190 THR . 26713 1 206 191 HIS . 26713 1 207 192 HIS . 26713 1 208 193 PRO . 26713 1 209 194 ILE . 26713 1 210 195 SER . 26713 1 211 196 ASP . 26713 1 212 197 HIS . 26713 1 213 198 GLU . 26713 1 214 199 ALA . 26713 1 215 200 THR . 26713 1 216 201 LEU . 26713 1 217 202 ARG . 26713 1 218 203 CYS . 26713 1 219 204 TRP . 26713 1 220 205 ALA . 26713 1 221 206 LEU . 26713 1 222 207 GLY . 26713 1 223 208 PHE . 26713 1 224 209 TYR . 26713 1 225 210 PRO . 26713 1 226 211 ALA . 26713 1 227 212 GLU . 26713 1 228 213 ILE . 26713 1 229 214 THR . 26713 1 230 215 LEU . 26713 1 231 216 THR . 26713 1 232 217 TRP . 26713 1 233 218 GLN . 26713 1 234 219 ARG . 26713 1 235 220 ASP . 26713 1 236 221 GLY . 26713 1 237 222 GLU . 26713 1 238 223 ASP . 26713 1 239 224 GLN . 26713 1 240 225 THR . 26713 1 241 226 GLN . 26713 1 242 227 ASP . 26713 1 243 228 THR . 26713 1 244 229 GLU . 26713 1 245 230 LEU . 26713 1 246 231 VAL . 26713 1 247 232 GLU . 26713 1 248 233 THR . 26713 1 249 234 ARG . 26713 1 250 235 PRO . 26713 1 251 236 ALA . 26713 1 252 237 GLY . 26713 1 253 238 ASP . 26713 1 254 239 ARG . 26713 1 255 240 THR . 26713 1 256 241 PHE . 26713 1 257 242 GLN . 26713 1 258 243 LYS . 26713 1 259 244 TRP . 26713 1 260 245 ALA . 26713 1 261 246 ALA . 26713 1 262 247 VAL . 26713 1 263 248 VAL . 26713 1 264 249 VAL . 26713 1 265 250 PRO . 26713 1 266 251 SER . 26713 1 267 252 GLY . 26713 1 268 253 GLU . 26713 1 269 254 GLU . 26713 1 270 255 GLN . 26713 1 271 256 ARG . 26713 1 272 257 TYR . 26713 1 273 258 THR . 26713 1 274 259 CYS . 26713 1 275 260 HIS . 26713 1 276 261 VAL . 26713 1 277 262 GLN . 26713 1 278 263 HIS . 26713 1 279 264 GLU . 26713 1 280 265 GLY . 26713 1 281 266 LEU . 26713 1 282 267 PRO . 26713 1 283 268 LYS . 26713 1 284 269 PRO . 26713 1 285 270 LEU . 26713 1 286 271 THR . 26713 1 287 272 LEU . 26713 1 288 273 ARG . 26713 1 289 274 TRP . 26713 1 290 275 GLU . 26713 1 291 276 PRO . 26713 1 292 277 SER . 26713 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 26713 1 . ALA 2 2 26713 1 . HIS 3 3 26713 1 . HIS 4 4 26713 1 . HIS 5 5 26713 1 . HIS 6 6 26713 1 . HIS 7 7 26713 1 . HIS 8 8 26713 1 . VAL 9 9 26713 1 . ASP 10 10 26713 1 . ASP 11 11 26713 1 . ASP 12 12 26713 1 . ASP 13 13 26713 1 . LYS 14 14 26713 1 . ILE 15 15 26713 1 . GLY 16 16 26713 1 . SER 17 17 26713 1 . HIS 18 18 26713 1 . SER 19 19 26713 1 . MET 20 20 26713 1 . ARG 21 21 26713 1 . TYR 22 22 26713 1 . PHE 23 23 26713 1 . HIS 24 24 26713 1 . THR 25 25 26713 1 . SER 26 26 26713 1 . VAL 27 27 26713 1 . SER 28 28 26713 1 . ARG 29 29 26713 1 . PRO 30 30 26713 1 . GLY 31 31 26713 1 . ARG 32 32 26713 1 . GLY 33 33 26713 1 . GLU 34 34 26713 1 . PRO 35 35 26713 1 . ARG 36 36 26713 1 . PHE 37 37 26713 1 . ILE 38 38 26713 1 . THR 39 39 26713 1 . VAL 40 40 26713 1 . GLY 41 41 26713 1 . TYR 42 42 26713 1 . VAL 43 43 26713 1 . ASP 44 44 26713 1 . ASP 45 45 26713 1 . THR 46 46 26713 1 . LEU 47 47 26713 1 . PHE 48 48 26713 1 . VAL 49 49 26713 1 . ARG 50 50 26713 1 . PHE 51 51 26713 1 . ASP 52 52 26713 1 . SER 53 53 26713 1 . ASP 54 54 26713 1 . ALA 55 55 26713 1 . ALA 56 56 26713 1 . SER 57 57 26713 1 . PRO 58 58 26713 1 . ARG 59 59 26713 1 . GLU 60 60 26713 1 . GLU 61 61 26713 1 . PRO 62 62 26713 1 . ARG 63 63 26713 1 . ALA 64 64 26713 1 . PRO 65 65 26713 1 . TRP 66 66 26713 1 . ILE 67 67 26713 1 . GLU 68 68 26713 1 . GLN 69 69 26713 1 . GLU 70 70 26713 1 . GLY 71 71 26713 1 . PRO 72 72 26713 1 . GLU 73 73 26713 1 . TYR 74 74 26713 1 . TRP 75 75 26713 1 . ASP 76 76 26713 1 . ARG 77 77 26713 1 . GLU 78 78 26713 1 . THR 79 79 26713 1 . GLN 80 80 26713 1 . ILE 81 81 26713 1 . CYS 82 82 26713 1 . LYS 83 83 26713 1 . ALA 84 84 26713 1 . LYS 85 85 26713 1 . ALA 86 86 26713 1 . GLN 87 87 26713 1 . THR 88 88 26713 1 . ASP 89 89 26713 1 . ARG 90 90 26713 1 . GLU 91 91 26713 1 . ASP 92 92 26713 1 . LEU 93 93 26713 1 . ARG 94 94 26713 1 . THR 95 95 26713 1 . LEU 96 96 26713 1 . LEU 97 97 26713 1 . ARG 98 98 26713 1 . TYR 99 99 26713 1 . TYR 100 100 26713 1 . ASN 101 101 26713 1 . GLN 102 102 26713 1 . SER 103 103 26713 1 . GLU 104 104 26713 1 . ALA 105 105 26713 1 . GLY 106 106 26713 1 . SER 107 107 26713 1 . HIS 108 108 26713 1 . THR 109 109 26713 1 . LEU 110 110 26713 1 . GLN 111 111 26713 1 . ASN 112 112 26713 1 . MET 113 113 26713 1 . TYR 114 114 26713 1 . GLY 115 115 26713 1 . CYS 116 116 26713 1 . ASP 117 117 26713 1 . VAL 118 118 26713 1 . GLY 119 119 26713 1 . PRO 120 120 26713 1 . ASP 121 121 26713 1 . GLY 122 122 26713 1 . ARG 123 123 26713 1 . LEU 124 124 26713 1 . LEU 125 125 26713 1 . ARG 126 126 26713 1 . GLY 127 127 26713 1 . TYR 128 128 26713 1 . HIS 129 129 26713 1 . GLN 130 130 26713 1 . HIS 131 131 26713 1 . ALA 132 132 26713 1 . TYR 133 133 26713 1 . ASP 134 134 26713 1 . GLY 135 135 26713 1 . LYS 136 136 26713 1 . ASP 137 137 26713 1 . TYR 138 138 26713 1 . ILE 139 139 26713 1 . ALA 140 140 26713 1 . LEU 141 141 26713 1 . ASN 142 142 26713 1 . GLU 143 143 26713 1 . ASP 144 144 26713 1 . LEU 145 145 26713 1 . SER 146 146 26713 1 . SER 147 147 26713 1 . TRP 148 148 26713 1 . THR 149 149 26713 1 . ALA 150 150 26713 1 . ALA 151 151 26713 1 . ASP 152 152 26713 1 . THR 153 153 26713 1 . ALA 154 154 26713 1 . ALA 155 155 26713 1 . GLN 156 156 26713 1 . ILE 157 157 26713 1 . THR 158 158 26713 1 . GLN 159 159 26713 1 . ARG 160 160 26713 1 . LYS 161 161 26713 1 . TRP 162 162 26713 1 . GLU 163 163 26713 1 . ALA 164 164 26713 1 . ALA 165 165 26713 1 . ARG 166 166 26713 1 . VAL 167 167 26713 1 . ALA 168 168 26713 1 . GLU 169 169 26713 1 . GLN 170 170 26713 1 . LEU 171 171 26713 1 . ARG 172 172 26713 1 . ALA 173 173 26713 1 . TYR 174 174 26713 1 . LEU 175 175 26713 1 . GLU 176 176 26713 1 . GLY 177 177 26713 1 . GLU 178 178 26713 1 . CYS 179 179 26713 1 . VAL 180 180 26713 1 . GLU 181 181 26713 1 . TRP 182 182 26713 1 . LEU 183 183 26713 1 . ARG 184 184 26713 1 . ARG 185 185 26713 1 . TYR 186 186 26713 1 . LEU 187 187 26713 1 . GLU 188 188 26713 1 . ASN 189 189 26713 1 . GLY 190 190 26713 1 . LYS 191 191 26713 1 . GLU 192 192 26713 1 . THR 193 193 26713 1 . LEU 194 194 26713 1 . GLN 195 195 26713 1 . ARG 196 196 26713 1 . ALA 197 197 26713 1 . ASP 198 198 26713 1 . PRO 199 199 26713 1 . PRO 200 200 26713 1 . LYS 201 201 26713 1 . THR 202 202 26713 1 . HIS 203 203 26713 1 . VAL 204 204 26713 1 . THR 205 205 26713 1 . HIS 206 206 26713 1 . HIS 207 207 26713 1 . PRO 208 208 26713 1 . ILE 209 209 26713 1 . SER 210 210 26713 1 . ASP 211 211 26713 1 . HIS 212 212 26713 1 . GLU 213 213 26713 1 . ALA 214 214 26713 1 . THR 215 215 26713 1 . LEU 216 216 26713 1 . ARG 217 217 26713 1 . CYS 218 218 26713 1 . TRP 219 219 26713 1 . ALA 220 220 26713 1 . LEU 221 221 26713 1 . GLY 222 222 26713 1 . PHE 223 223 26713 1 . TYR 224 224 26713 1 . PRO 225 225 26713 1 . ALA 226 226 26713 1 . GLU 227 227 26713 1 . ILE 228 228 26713 1 . THR 229 229 26713 1 . LEU 230 230 26713 1 . THR 231 231 26713 1 . TRP 232 232 26713 1 . GLN 233 233 26713 1 . ARG 234 234 26713 1 . ASP 235 235 26713 1 . GLY 236 236 26713 1 . GLU 237 237 26713 1 . ASP 238 238 26713 1 . GLN 239 239 26713 1 . THR 240 240 26713 1 . GLN 241 241 26713 1 . ASP 242 242 26713 1 . THR 243 243 26713 1 . GLU 244 244 26713 1 . LEU 245 245 26713 1 . VAL 246 246 26713 1 . GLU 247 247 26713 1 . THR 248 248 26713 1 . ARG 249 249 26713 1 . PRO 250 250 26713 1 . ALA 251 251 26713 1 . GLY 252 252 26713 1 . ASP 253 253 26713 1 . ARG 254 254 26713 1 . THR 255 255 26713 1 . PHE 256 256 26713 1 . GLN 257 257 26713 1 . LYS 258 258 26713 1 . TRP 259 259 26713 1 . ALA 260 260 26713 1 . ALA 261 261 26713 1 . VAL 262 262 26713 1 . VAL 263 263 26713 1 . VAL 264 264 26713 1 . PRO 265 265 26713 1 . SER 266 266 26713 1 . GLY 267 267 26713 1 . GLU 268 268 26713 1 . GLU 269 269 26713 1 . GLN 270 270 26713 1 . ARG 271 271 26713 1 . TYR 272 272 26713 1 . THR 273 273 26713 1 . CYS 274 274 26713 1 . HIS 275 275 26713 1 . VAL 276 276 26713 1 . GLN 277 277 26713 1 . HIS 278 278 26713 1 . GLU 279 279 26713 1 . GLY 280 280 26713 1 . LEU 281 281 26713 1 . PRO 282 282 26713 1 . LYS 283 283 26713 1 . PRO 284 284 26713 1 . LEU 285 285 26713 1 . THR 286 286 26713 1 . LEU 287 287 26713 1 . ARG 288 288 26713 1 . TRP 289 289 26713 1 . GLU 290 290 26713 1 . PRO 291 291 26713 1 . SER 292 292 26713 1 stop_ save_ save_1w0w-hkca_mol2 _Entity.Sf_category entity _Entity.Sf_framecode 1w0w-hkca_mol2 _Entity.Entry_ID 26713 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 1w0w-hkca_mol2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 0, M 1, I 2, Q ...... 97, R 98, D 99, M ; _Entity.Polymer_author_seq_details ; The first residue (0, M) is the start codon from the bacterial expression system and hence not present in the native protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'human beta-2 microglobulin' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 26713 2 2 1 ILE . 26713 2 3 2 GLN . 26713 2 4 3 ARG . 26713 2 5 4 THR . 26713 2 6 5 PRO . 26713 2 7 6 LYS . 26713 2 8 7 ILE . 26713 2 9 8 GLN . 26713 2 10 9 VAL . 26713 2 11 10 TYR . 26713 2 12 11 SER . 26713 2 13 12 ARG . 26713 2 14 13 HIS . 26713 2 15 14 PRO . 26713 2 16 15 ALA . 26713 2 17 16 GLU . 26713 2 18 17 ASN . 26713 2 19 18 GLY . 26713 2 20 19 LYS . 26713 2 21 20 SER . 26713 2 22 21 ASN . 26713 2 23 22 PHE . 26713 2 24 23 LEU . 26713 2 25 24 ASN . 26713 2 26 25 CYS . 26713 2 27 26 TYR . 26713 2 28 27 VAL . 26713 2 29 28 SER . 26713 2 30 29 GLY . 26713 2 31 30 PHE . 26713 2 32 31 HIS . 26713 2 33 32 PRO . 26713 2 34 33 SER . 26713 2 35 34 ASP . 26713 2 36 35 ILE . 26713 2 37 36 GLU . 26713 2 38 37 VAL . 26713 2 39 38 ASP . 26713 2 40 39 LEU . 26713 2 41 40 LEU . 26713 2 42 41 LYS . 26713 2 43 42 ASN . 26713 2 44 43 GLY . 26713 2 45 44 GLU . 26713 2 46 45 ARG . 26713 2 47 46 ILE . 26713 2 48 47 GLU . 26713 2 49 48 LYS . 26713 2 50 49 VAL . 26713 2 51 50 GLU . 26713 2 52 51 HIS . 26713 2 53 52 SER . 26713 2 54 53 ASP . 26713 2 55 54 LEU . 26713 2 56 55 SER . 26713 2 57 56 PHE . 26713 2 58 57 SER . 26713 2 59 58 LYS . 26713 2 60 59 ASP . 26713 2 61 60 TRP . 26713 2 62 61 SER . 26713 2 63 62 PHE . 26713 2 64 63 TYR . 26713 2 65 64 LEU . 26713 2 66 65 LEU . 26713 2 67 66 TYR . 26713 2 68 67 TYR . 26713 2 69 68 THR . 26713 2 70 69 GLU . 26713 2 71 70 PHE . 26713 2 72 71 THR . 26713 2 73 72 PRO . 26713 2 74 73 THR . 26713 2 75 74 GLU . 26713 2 76 75 LYS . 26713 2 77 76 ASP . 26713 2 78 77 GLU . 26713 2 79 78 TYR . 26713 2 80 79 ALA . 26713 2 81 80 CYS . 26713 2 82 81 ARG . 26713 2 83 82 VAL . 26713 2 84 83 ASN . 26713 2 85 84 HIS . 26713 2 86 85 VAL . 26713 2 87 86 THR . 26713 2 88 87 LEU . 26713 2 89 88 SER . 26713 2 90 89 GLN . 26713 2 91 90 PRO . 26713 2 92 91 LYS . 26713 2 93 92 ILE . 26713 2 94 93 VAL . 26713 2 95 94 LYS . 26713 2 96 95 TRP . 26713 2 97 96 ASP . 26713 2 98 97 ARG . 26713 2 99 98 ASP . 26713 2 100 99 MET . 26713 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 26713 2 . ILE 2 2 26713 2 . GLN 3 3 26713 2 . ARG 4 4 26713 2 . THR 5 5 26713 2 . PRO 6 6 26713 2 . LYS 7 7 26713 2 . ILE 8 8 26713 2 . GLN 9 9 26713 2 . VAL 10 10 26713 2 . TYR 11 11 26713 2 . SER 12 12 26713 2 . ARG 13 13 26713 2 . HIS 14 14 26713 2 . PRO 15 15 26713 2 . ALA 16 16 26713 2 . GLU 17 17 26713 2 . ASN 18 18 26713 2 . GLY 19 19 26713 2 . LYS 20 20 26713 2 . SER 21 21 26713 2 . ASN 22 22 26713 2 . PHE 23 23 26713 2 . LEU 24 24 26713 2 . ASN 25 25 26713 2 . CYS 26 26 26713 2 . TYR 27 27 26713 2 . VAL 28 28 26713 2 . SER 29 29 26713 2 . GLY 30 30 26713 2 . PHE 31 31 26713 2 . HIS 32 32 26713 2 . PRO 33 33 26713 2 . SER 34 34 26713 2 . ASP 35 35 26713 2 . ILE 36 36 26713 2 . GLU 37 37 26713 2 . VAL 38 38 26713 2 . ASP 39 39 26713 2 . LEU 40 40 26713 2 . LEU 41 41 26713 2 . LYS 42 42 26713 2 . ASN 43 43 26713 2 . GLY 44 44 26713 2 . GLU 45 45 26713 2 . ARG 46 46 26713 2 . ILE 47 47 26713 2 . GLU 48 48 26713 2 . LYS 49 49 26713 2 . VAL 50 50 26713 2 . GLU 51 51 26713 2 . HIS 52 52 26713 2 . SER 53 53 26713 2 . ASP 54 54 26713 2 . LEU 55 55 26713 2 . SER 56 56 26713 2 . PHE 57 57 26713 2 . SER 58 58 26713 2 . LYS 59 59 26713 2 . ASP 60 60 26713 2 . TRP 61 61 26713 2 . SER 62 62 26713 2 . PHE 63 63 26713 2 . TYR 64 64 26713 2 . LEU 65 65 26713 2 . LEU 66 66 26713 2 . TYR 67 67 26713 2 . TYR 68 68 26713 2 . THR 69 69 26713 2 . GLU 70 70 26713 2 . PHE 71 71 26713 2 . THR 72 72 26713 2 . PRO 73 73 26713 2 . THR 74 74 26713 2 . GLU 75 75 26713 2 . LYS 76 76 26713 2 . ASP 77 77 26713 2 . GLU 78 78 26713 2 . TYR 79 79 26713 2 . ALA 80 80 26713 2 . CYS 81 81 26713 2 . ARG 82 82 26713 2 . VAL 83 83 26713 2 . ASN 84 84 26713 2 . HIS 85 85 26713 2 . VAL 86 86 26713 2 . THR 87 87 26713 2 . LEU 88 88 26713 2 . SER 89 89 26713 2 . GLN 90 90 26713 2 . PRO 91 91 26713 2 . LYS 92 92 26713 2 . ILE 93 93 26713 2 . VAL 94 94 26713 2 . LYS 95 95 26713 2 . TRP 96 96 26713 2 . ASP 97 97 26713 2 . ARG 98 98 26713 2 . ASP 99 99 26713 2 . MET 100 100 26713 2 stop_ save_ save_1w0w-hkca_mol3 _Entity.Sf_category entity _Entity.Sf_framecode 1w0w-hkca_mol3 _Entity.Entry_ID 26713 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 1w0w-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 ; RRLPIFSRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This antigen is derived from epidermal growth factor response factor 1.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment TIS _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . 26713 3 2 . ARG . 26713 3 3 . LEU . 26713 3 4 . PRO . 26713 3 5 . ILE . 26713 3 6 . PHE . 26713 3 7 . SER . 26713 3 8 . ARG . 26713 3 9 . LEU . 26713 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 26713 3 . ARG 2 2 26713 3 . LEU 3 3 26713 3 . PRO 4 4 26713 3 . ILE 5 5 26713 3 . PHE 6 6 26713 3 . SER 7 7 26713 3 . ARG 8 8 26713 3 . LEU 9 9 26713 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 26713 _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 $1w0w-hkca_mol1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26713 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 26713 _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 $1w0w-hkca_mol1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) Rosetta2 . . . . 'pET 46 Ek/LIC' . . . 26713 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26713 _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 1w0w-hkca_mol1 '[U-15N; U-2H]' . . 1 $1w0w-hkca_mol1 . . 0.330 . . mM . . . . 26713 1 2 1w0w-hkca_mol2 'natural abundance' . . 2 $1w0w-hkca_mol2 . . 0.330 . . mM . . . . 26713 1 3 1w0w-hkca_mol3 'natural abundance' . . 3 $1w0w-hkca_mol3 . . 0.330 . . mM . . . . 26713 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26713 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26713 1 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26713 1 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26713 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26713 _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 1w0w-hkca_mol1 [U-2H] . . 1 $1w0w-hkca_mol1 . . 0.330 . . mM . . . . 26713 2 2 1w0w-hkca_mol2 [U-15N] . . 2 $1w0w-hkca_mol2 . . 0.330 . . mM . . . . 26713 2 3 1w0w-hkca_mol3 'natural abundance' . . 3 $1w0w-hkca_mol3 . . 0.330 . . mM . . . . 26713 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26713 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26713 2 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26713 2 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26713 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 26713 _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 26713 1 pH 7.5 . pH 26713 1 pressure 1 . atm 26713 1 temperature 310 . K 26713 1 stop_ save_ ############################ # Computer software used # ############################ save_relax _Software.Sf_category software _Software.Sf_framecode relax _Software.Entry_ID 26713 _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 26713 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 26713 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 26713 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 600 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number 600 _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26713 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 750 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number 750 _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26713 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance 600 600 600 . . 26713 1 2 spectrometer_2 Bruker Avance 750 750 750 . . 26713 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 26713 _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 . . . . . . . . . . . . . . . . 26713 1 2 '600.18 MHz R2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26713 1 3 '600.18 MHz steady-state NOE' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26713 1 4 '750.46 MHz R1' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26713 1 5 '750.46 MHz R2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26713 1 6 '750.46 MHz steady-state NOE' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26713 1 7 '600.18 MHz R1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26713 1 8 '600.18 MHz R2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26713 1 9 '600.18 MHz steady-state NOE' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26713 1 10 '750.46 MHz R1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26713 1 11 '750.46 MHz R2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26713 1 12 '750.46 MHz steady-state NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26713 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 26713 _Chem_shift_anisotropy.ID 1 _Chem_shift_anisotropy.Sample_condition_list_ID 1 _Chem_shift_anisotropy.Sample_condition_list_label $sample_conditions_1 _Chem_shift_anisotropy.Spectrometer_frequency_1H . _Chem_shift_anisotropy.Val_units ppm _Chem_shift_anisotropy.Details . _Chem_shift_anisotropy.Text_data_format . _Chem_shift_anisotropy.Text_data . loop_ _CS_anisotropy_experiment.Experiment_ID _CS_anisotropy_experiment.Experiment_name _CS_anisotropy_experiment.Sample_ID _CS_anisotropy_experiment.Sample_label _CS_anisotropy_experiment.Sample_state _CS_anisotropy_experiment.Entry_ID _CS_anisotropy_experiment.Chem_shift_anisotropy_ID 10 '750.46 MHz R1' 2 $sample_2 . 26713 1 11 '750.46 MHz R2' 2 $sample_2 . 26713 1 12 '750.46 MHz steady-state NOE' 2 $sample_2 . 26713 1 7 '600.18 MHz R1' 2 $sample_2 . 26713 1 8 '600.18 MHz R2' 2 $sample_2 . 26713 1 9 '600.18 MHz steady-state NOE' 2 $sample_2 . 26713 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 . . 26713 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 . . . . . . . . . . . . . 26713 1 2 . 2 2 8 8 ILE N N 15 -172.0 . . . . . . . . . . . . . 26713 1 3 . 2 2 9 9 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 1 4 . 2 2 12 12 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 1 5 . 2 2 13 13 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 1 6 . 2 2 14 14 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 7 . 2 2 17 17 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 8 . 2 2 19 19 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 1 9 . 2 2 20 20 LYS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 10 . 2 2 23 23 PHE N N 15 -172.0 . . . . . . . . . . . . . 26713 1 11 . 2 2 25 25 ASN N N 15 -172.0 . . . . . . . . . . . . . 26713 1 12 . 2 2 26 26 CYS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 13 . 2 2 27 27 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 1 14 . 2 2 29 29 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 1 15 . 2 2 30 30 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 1 16 . 2 2 31 31 PHE N N 15 -172.0 . . . . . . . . . . . . . 26713 1 17 . 2 2 34 34 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 1 18 . 2 2 35 35 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 1 19 . 2 2 37 37 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 20 . 2 2 38 38 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 1 21 . 2 2 40 40 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 22 . 2 2 41 41 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 23 . 2 2 43 43 ASN N N 15 -172.0 . . . . . . . . . . . . . 26713 1 24 . 2 2 44 44 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 1 25 . 2 2 45 45 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 26 . 2 2 46 46 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 1 27 . 2 2 47 47 ILE N N 15 -172.0 . . . . . . . . . . . . . 26713 1 28 . 2 2 48 48 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 29 . 2 2 49 49 LYS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 30 . 2 2 51 51 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 31 . 2 2 52 52 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 32 . 2 2 53 53 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 1 33 . 2 2 54 54 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 1 34 . 2 2 55 55 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 35 . 2 2 56 56 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 1 36 . 2 2 57 57 PHE N N 15 -172.0 . . . . . . . . . . . . . 26713 1 37 . 2 2 58 58 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 1 38 . 2 2 60 60 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 1 39 . 2 2 61 61 TRP N N 15 -172.0 . . . . . . . . . . . . . 26713 1 40 . 2 2 61 61 TRP NE1 N 15 -172.0 . . . . . . . . . . . . . 26713 1 41 . 2 2 62 62 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 1 42 . 2 2 63 63 PHE N N 15 -172.0 . . . . . . . . . . . . . 26713 1 43 . 2 2 64 64 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 1 44 . 2 2 65 65 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 45 . 2 2 66 66 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 46 . 2 2 67 67 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 1 47 . 2 2 68 68 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 1 48 . 2 2 69 69 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 1 49 . 2 2 70 70 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 50 . 2 2 71 71 PHE N N 15 -172.0 . . . . . . . . . . . . . 26713 1 51 . 2 2 72 72 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 1 52 . 2 2 74 74 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 1 53 . 2 2 75 75 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 54 . 2 2 76 76 LYS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 55 . 2 2 77 77 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 1 56 . 2 2 79 79 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 1 57 . 2 2 81 81 CYS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 58 . 2 2 82 82 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 1 59 . 2 2 83 83 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 1 60 . 2 2 84 84 ASN N N 15 -172.0 . . . . . . . . . . . . . 26713 1 61 . 2 2 85 85 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 62 . 2 2 86 86 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 1 63 . 2 2 87 87 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 1 64 . 2 2 88 88 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 1 65 . 2 2 90 90 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 1 66 . 2 2 92 92 LYS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 67 . 2 2 93 93 ILE N N 15 -172.0 . . . . . . . . . . . . . 26713 1 68 . 2 2 94 94 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 1 69 . 2 2 95 95 LYS N N 15 -172.0 . . . . . . . . . . . . . 26713 1 70 . 2 2 96 96 TRP N N 15 -172.0 . . . . . . . . . . . . . 26713 1 71 . 2 2 96 96 TRP NE1 N 15 -172.0 . . . . . . . . . . . . . 26713 1 72 . 2 2 97 97 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 1 73 . 2 2 98 98 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 1 74 . 2 2 99 99 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 1 75 . 2 2 100 100 MET N N 15 -172.0 . . . . . . . . . . . . . 26713 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 26713 _Chem_shift_anisotropy.ID 2 _Chem_shift_anisotropy.Sample_condition_list_ID 1 _Chem_shift_anisotropy.Sample_condition_list_label $sample_conditions_1 _Chem_shift_anisotropy.Spectrometer_frequency_1H . _Chem_shift_anisotropy.Val_units ppm _Chem_shift_anisotropy.Details . _Chem_shift_anisotropy.Text_data_format . _Chem_shift_anisotropy.Text_data . loop_ _CS_anisotropy_experiment.Experiment_ID _CS_anisotropy_experiment.Experiment_name _CS_anisotropy_experiment.Sample_ID _CS_anisotropy_experiment.Sample_label _CS_anisotropy_experiment.Sample_state _CS_anisotropy_experiment.Entry_ID _CS_anisotropy_experiment.Chem_shift_anisotropy_ID 10 '750.46 MHz R1' 2 $sample_2 . 26713 2 11 '750.46 MHz R2' 2 $sample_2 . 26713 2 12 '750.46 MHz steady-state NOE' 2 $sample_2 . 26713 2 7 '600.18 MHz R1' 2 $sample_2 . 26713 2 8 '600.18 MHz R2' 2 $sample_2 . 26713 2 9 '600.18 MHz steady-state NOE' 2 $sample_2 . 26713 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 . . 26713 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 . . . . . . . . . . . . . 26713 2 2 . 1 1 203 203 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 2 3 . 1 1 206 206 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 2 4 . 1 1 207 207 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 2 5 . 1 1 209 209 ILE N N 15 -172.0 . . . . . . . . . . . . . 26713 2 6 . 1 1 210 210 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 2 7 . 1 1 212 212 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 2 8 . 1 1 213 213 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 9 . 1 1 214 214 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 2 10 . 1 1 215 215 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 2 11 . 1 1 216 216 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 12 . 1 1 218 218 CYS N N 15 -172.0 . . . . . . . . . . . . . 26713 2 13 . 1 1 219 219 TRP N N 15 -172.0 . . . . . . . . . . . . . 26713 2 14 . 1 1 220 220 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 2 15 . 1 1 222 222 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 2 16 . 1 1 223 223 PHE N N 15 -172.0 . . . . . . . . . . . . . 26713 2 17 . 1 1 228 228 ILE N N 15 -172.0 . . . . . . . . . . . . . 26713 2 18 . 1 1 229 229 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 2 19 . 1 1 231 231 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 2 20 . 1 1 232 232 TRP N N 15 -172.0 . . . . . . . . . . . . . 26713 2 21 . 1 1 233 233 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 2 22 . 1 1 234 234 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 2 23 . 1 1 235 235 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 2 24 . 1 1 236 236 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 2 25 . 1 1 237 237 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 26 . 1 1 242 242 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 2 27 . 1 1 243 243 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 2 28 . 1 1 244 244 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 29 . 1 1 245 245 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 30 . 1 1 246 246 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 2 31 . 1 1 247 247 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 32 . 1 1 249 249 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 2 33 . 1 1 251 251 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 2 34 . 1 1 252 252 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 2 35 . 1 1 253 253 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 2 36 . 1 1 254 254 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 2 37 . 1 1 255 255 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 2 38 . 1 1 257 257 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 2 39 . 1 1 259 259 TRP N N 15 -172.0 . . . . . . . . . . . . . 26713 2 40 . 1 1 261 261 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 2 41 . 1 1 263 263 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 2 42 . 1 1 267 267 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 2 43 . 1 1 269 269 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 44 . 1 1 270 270 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 2 45 . 1 1 271 271 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 2 46 . 1 1 272 272 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 2 47 . 1 1 273 273 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 2 48 . 1 1 274 274 CYS N N 15 -172.0 . . . . . . . . . . . . . 26713 2 49 . 1 1 275 275 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 2 50 . 1 1 276 276 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 2 51 . 1 1 277 277 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 2 52 . 1 1 278 278 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 2 53 . 1 1 279 279 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 54 . 1 1 280 280 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 2 55 . 1 1 281 281 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 56 . 1 1 285 285 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 57 . 1 1 287 287 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 2 58 . 1 1 288 288 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 2 59 . 1 1 289 289 TRP N N 15 -172.0 . . . . . . . . . . . . . 26713 2 60 . 1 1 290 290 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 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 26713 _Chem_shift_anisotropy.ID 3 _Chem_shift_anisotropy.Sample_condition_list_ID 1 _Chem_shift_anisotropy.Sample_condition_list_label $sample_conditions_1 _Chem_shift_anisotropy.Spectrometer_frequency_1H . _Chem_shift_anisotropy.Val_units ppm _Chem_shift_anisotropy.Details . _Chem_shift_anisotropy.Text_data_format . _Chem_shift_anisotropy.Text_data . loop_ _CS_anisotropy_experiment.Experiment_ID _CS_anisotropy_experiment.Experiment_name _CS_anisotropy_experiment.Sample_ID _CS_anisotropy_experiment.Sample_label _CS_anisotropy_experiment.Sample_state _CS_anisotropy_experiment.Entry_ID _CS_anisotropy_experiment.Chem_shift_anisotropy_ID 10 '750.46 MHz R1' 2 $sample_2 . 26713 3 11 '750.46 MHz R2' 2 $sample_2 . 26713 3 12 '750.46 MHz steady-state NOE' 2 $sample_2 . 26713 3 7 '600.18 MHz R1' 2 $sample_2 . 26713 3 8 '600.18 MHz R2' 2 $sample_2 . 26713 3 9 '600.18 MHz steady-state NOE' 2 $sample_2 . 26713 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 . . 26713 3 stop_ loop_ _CS_anisotropy.ID _CS_anisotropy.Assembly_atom_ID _CS_anisotropy.Entity_assembly_ID _CS_anisotropy.Entity_ID _CS_anisotropy.Comp_index_ID _CS_anisotropy.Seq_ID _CS_anisotropy.Comp_ID _CS_anisotropy.Atom_ID _CS_anisotropy.Atom_type _CS_anisotropy.Atom_isotope_number _CS_anisotropy.Val _CS_anisotropy.Val_err _CS_anisotropy.Principal_value_sigma_11_val _CS_anisotropy.Principal_value_sigma_22_val _CS_anisotropy.Principal_value_sigma_33_val _CS_anisotropy.Principal_Euler_angle_alpha_val _CS_anisotropy.Principal_Euler_angle_beta_val _CS_anisotropy.Principal_Euler_angle_gamma_val _CS_anisotropy.Bond_length _CS_anisotropy.Resonance_ID _CS_anisotropy.Auth_entity_assembly_ID _CS_anisotropy.Auth_seq_ID _CS_anisotropy.Auth_comp_ID _CS_anisotropy.Auth_atom_ID _CS_anisotropy.Entry_ID _CS_anisotropy.Chem_shift_anisotropy_ID 1 . 1 1 17 17 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 3 2 . 1 1 19 19 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 3 3 . 1 1 20 20 MET N N 15 -172.0 . . . . . . . . . . . . . 26713 3 4 . 1 1 21 21 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 3 5 . 1 1 22 22 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 6 . 1 1 23 23 PHE N N 15 -172.0 . . . . . . . . . . . . . 26713 3 7 . 1 1 26 26 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 3 8 . 1 1 27 27 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 3 9 . 1 1 28 28 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 3 10 . 1 1 31 31 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 11 . 1 1 33 33 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 12 . 1 1 34 34 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 13 . 1 1 36 36 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 3 14 . 1 1 37 37 PHE N N 15 -172.0 . . . . . . . . . . . . . 26713 3 15 . 1 1 38 38 ILE N N 15 -172.0 . . . . . . . . . . . . . 26713 3 16 . 1 1 41 41 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 17 . 1 1 42 42 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 18 . 1 1 44 44 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 19 . 1 1 45 45 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 20 . 1 1 46 46 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 21 . 1 1 47 47 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 22 . 1 1 49 49 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 3 23 . 1 1 50 50 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 3 24 . 1 1 52 52 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 25 . 1 1 53 53 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 3 26 . 1 1 54 54 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 27 . 1 1 55 55 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 28 . 1 1 56 56 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 29 . 1 1 57 57 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 3 30 . 1 1 63 63 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 3 31 . 1 1 64 64 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 32 . 1 1 66 66 TRP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 33 . 1 1 67 67 ILE N N 15 -172.0 . . . . . . . . . . . . . 26713 3 34 . 1 1 71 71 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 35 . 1 1 73 73 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 36 . 1 1 74 74 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 37 . 1 1 78 78 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 38 . 1 1 80 80 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 3 39 . 1 1 83 83 LYS N N 15 -172.0 . . . . . . . . . . . . . 26713 3 40 . 1 1 86 86 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 41 . 1 1 89 89 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 42 . 1 1 90 90 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 3 43 . 1 1 91 91 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 44 . 1 1 93 93 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 45 . 1 1 94 94 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 3 46 . 1 1 99 99 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 47 . 1 1 100 100 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 48 . 1 1 102 102 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 3 49 . 1 1 106 106 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 50 . 1 1 107 107 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 3 51 . 1 1 108 108 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 3 52 . 1 1 109 109 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 53 . 1 1 110 110 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 54 . 1 1 111 111 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 3 55 . 1 1 112 112 ASN N N 15 -172.0 . . . . . . . . . . . . . 26713 3 56 . 1 1 113 113 MET N N 15 -172.0 . . . . . . . . . . . . . 26713 3 57 . 1 1 114 114 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 58 . 1 1 115 115 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 59 . 1 1 116 116 CYS N N 15 -172.0 . . . . . . . . . . . . . 26713 3 60 . 1 1 117 117 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 61 . 1 1 118 118 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 3 62 . 1 1 119 119 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 63 . 1 1 121 121 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 64 . 1 1 122 122 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 65 . 1 1 125 125 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 66 . 1 1 127 127 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 67 . 1 1 130 130 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 3 68 . 1 1 131 131 HIS N N 15 -172.0 . . . . . . . . . . . . . 26713 3 69 . 1 1 133 133 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 70 . 1 1 134 134 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 71 . 1 1 135 135 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 72 . 1 1 138 138 TYR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 73 . 1 1 139 139 ILE N N 15 -172.0 . . . . . . . . . . . . . 26713 3 74 . 1 1 140 140 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 75 . 1 1 141 141 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 76 . 1 1 142 142 ASN N N 15 -172.0 . . . . . . . . . . . . . 26713 3 77 . 1 1 143 143 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 78 . 1 1 144 144 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 79 . 1 1 145 145 LEU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 80 . 1 1 146 146 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 3 81 . 1 1 147 147 SER N N 15 -172.0 . . . . . . . . . . . . . 26713 3 82 . 1 1 148 148 TRP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 83 . 1 1 149 149 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 84 . 1 1 150 150 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 85 . 1 1 151 151 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 86 . 1 1 152 152 ASP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 87 . 1 1 153 153 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 88 . 1 1 154 154 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 89 . 1 1 156 156 GLN N N 15 -172.0 . . . . . . . . . . . . . 26713 3 90 . 1 1 157 157 ILE N N 15 -172.0 . . . . . . . . . . . . . 26713 3 91 . 1 1 158 158 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 92 . 1 1 160 160 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 3 93 . 1 1 161 161 LYS N N 15 -172.0 . . . . . . . . . . . . . 26713 3 94 . 1 1 162 162 TRP N N 15 -172.0 . . . . . . . . . . . . . 26713 3 95 . 1 1 163 163 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 96 . 1 1 165 165 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 97 . 1 1 166 166 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 3 98 . 1 1 167 167 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 3 99 . 1 1 172 172 ARG N N 15 -172.0 . . . . . . . . . . . . . 26713 3 100 . 1 1 173 173 ALA N N 15 -172.0 . . . . . . . . . . . . . 26713 3 101 . 1 1 176 176 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 102 . 1 1 177 177 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 103 . 1 1 178 178 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 104 . 1 1 179 179 CYS N N 15 -172.0 . . . . . . . . . . . . . 26713 3 105 . 1 1 180 180 VAL N N 15 -172.0 . . . . . . . . . . . . . 26713 3 106 . 1 1 181 181 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 107 . 1 1 190 190 GLY N N 15 -172.0 . . . . . . . . . . . . . 26713 3 108 . 1 1 191 191 LYS N N 15 -172.0 . . . . . . . . . . . . . 26713 3 109 . 1 1 192 192 GLU N N 15 -172.0 . . . . . . . . . . . . . 26713 3 110 . 1 1 193 193 THR N N 15 -172.0 . . . . . . . . . . . . . 26713 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_hetNOE_b2m _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_b2m _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.18 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 9 '600.18 MHz steady-state NOE' 1 $sample_1 . 26713 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 . . 26713 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 0.417891849392 0.0861818420886 . . . . . . . . . . 26713 1 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.199121137248 0.0871049585429 . . . . . . . . . . 26713 1 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.967533199331 0.120081299848 . . . . . . . . . . 26713 1 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.758576458374 0.0885928012164 . . . . . . . . . . 26713 1 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.906792951046 0.104877975996 . . . . . . . . . . 26713 1 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.791800830793 0.0673424544149 . . . . . . . . . . 26713 1 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.524720125224 0.0643336854395 . . . . . . . . . . 26713 1 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.665187658712 0.116622709007 . . . . . . . . . . 26713 1 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.780856226557 0.0418603942948 . . . . . . . . . . 26713 1 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.756140602471 0.0776401120014 . . . . . . . . . . 26713 1 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 1.03506915149 0.137002488115 . . . . . . . . . . 26713 1 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 1.06145160501 0.103591473456 . . . . . . . . . . 26713 1 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.835731890112 0.127554932158 . . . . . . . . . . 26713 1 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.936279802113 0.108449679355 . . . . . . . . . . 26713 1 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.744289561833 0.0943868649762 . . . . . . . . . . 26713 1 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.693294006501 0.0656381543158 . . . . . . . . . . 26713 1 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.90717950197 0.186137957878 . . . . . . . . . . 26713 1 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.773555228184 0.0437949234683 . . . . . . . . . . 26713 1 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.836057221902 0.0961745123317 . . . . . . . . . . 26713 1 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.745287069135 0.0722627043806 . . . . . . . . . . 26713 1 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.801869033563 0.0917892254978 . . . . . . . . . . 26713 1 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.814859397257 0.0921051913799 . . . . . . . . . . 26713 1 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.693721574516 0.0563792763692 . . . . . . . . . . 26713 1 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.738938232742 0.0714083569561 . . . . . . . . . . 26713 1 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.719066210165 0.0370504963528 . . . . . . . . . . 26713 1 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.697880707288 0.07864654506 . . . . . . . . . . 26713 1 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.87184842067 0.0924642751373 . . . . . . . . . . 26713 1 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.653139039196 0.0654259413896 . . . . . . . . . . 26713 1 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.362597560458 0.0501211996479 . . . . . . . . . . 26713 1 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.506910031138 0.0636826088716 . . . . . . . . . . 26713 1 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.75847176434 0.048467753013 . . . . . . . . . . 26713 1 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.891567877913 0.124172425354 . . . . . . . . . . 26713 1 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.805645201674 0.141009297376 . . . . . . . . . . 26713 1 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 1.01887156234 0.115137635787 . . . . . . . . . . 26713 1 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.863554393322 0.103905098558 . . . . . . . . . . 26713 1 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.665358437339 0.0574869317508 . . . . . . . . . . 26713 1 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.77065411059 0.0944506504185 . . . . . . . . . . 26713 1 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.863430927365 0.0933031985525 . . . . . . . . . . 26713 1 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.6959140299 0.0818233989567 . . . . . . . . . . 26713 1 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.816532453504 0.0769786553136 . . . . . . . . . . 26713 1 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.867993862952 0.0773272113742 . . . . . . . . . . 26713 1 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.584052681134 0.0965654437793 . . . . . . . . . . 26713 1 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.891659701199 0.0909843736303 . . . . . . . . . . 26713 1 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.757298124483 0.0970425479962 . . . . . . . . . . 26713 1 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.852683612252 0.121988714049 . . . . . . . . . . 26713 1 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.78359192852 0.110056830948 . . . . . . . . . . 26713 1 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.773240527962 0.0824146470887 . . . . . . . . . . 26713 1 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.899159705625 0.0981379888443 . . . . . . . . . . 26713 1 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.748491639926 0.0552357564217 . . . . . . . . . . 26713 1 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.774311866427 0.0891430397718 . . . . . . . . . . 26713 1 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.74747574441 0.0942283891529 . . . . . . . . . . 26713 1 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.754999852026 0.0643258525382 . . . . . . . . . . 26713 1 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 1.00095878259 0.424692793035 . . . . . . . . . . 26713 1 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.588017923452 0.0711075980417 . . . . . . . . . . 26713 1 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.766860582119 0.0424776178961 . . . . . . . . . . 26713 1 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.820983616537 0.0751272165027 . . . . . . . . . . 26713 1 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.856078326557 0.0743529490936 . . . . . . . . . . 26713 1 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.869772254419 0.0780074535486 . . . . . . . . . . 26713 1 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.803835961222 0.0912361109932 . . . . . . . . . . 26713 1 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.768456279779 0.076797965026 . . . . . . . . . . 26713 1 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.827308198801 0.0534495886199 . . . . . . . . . . 26713 1 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.985556872558 0.0965183348169 . . . . . . . . . . 26713 1 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.950224692811 0.111755009673 . . . . . . . . . . 26713 1 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.813954958038 0.0516664809906 . . . . . . . . . . 26713 1 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.711057325035 0.0292495290389 . . . . . . . . . . 26713 1 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.907561448916 0.0847994107899 . . . . . . . . . . 26713 1 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.734302310415 0.0445661644136 . . . . . . . . . . 26713 1 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.87796743508 0.078366011088 . . . . . . . . . . 26713 1 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.64351994491 0.0521552082665 . . . . . . . . . . 26713 1 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.938320604703 0.128350072156 . . . . . . . . . . 26713 1 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.653332813363 0.0660646974022 . . . . . . . . . . 26713 1 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.734743296374 0.078148590187 . . . . . . . . . . 26713 1 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.923659893029 0.170089330143 . . . . . . . . . . 26713 1 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.786679265825 0.0613592932025 . . . . . . . . . . 26713 1 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.669450797283 0.0500426882059 . . . . . . . . . . 26713 1 stop_ save_ save_750.46_MHz_hetNOE_b2m _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_b2m _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26713 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 . . 26713 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 0.481411187683 0.0538286239491 . . . . . . . . . . 26713 2 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.718093647326 0.0667716948984 . . . . . . . . . . 26713 2 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.836223779135 0.0638608038975 . . . . . . . . . . 26713 2 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.712129103 0.0596921622121 . . . . . . . . . . 26713 2 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.730213416677 0.0569737576743 . . . . . . . . . . 26713 2 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.822432658081 0.045489544647 . . . . . . . . . . 26713 2 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.775515307449 0.0577979099416 . . . . . . . . . . 26713 2 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.75825307111 0.0707374296164 . . . . . . . . . . 26713 2 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.778670775893 0.0296316160442 . . . . . . . . . . 26713 2 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.677727497878 0.0558265809744 . . . . . . . . . . 26713 2 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.845286280558 0.0641052128572 . . . . . . . . . . 26713 2 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.771771553932 0.052368906007 . . . . . . . . . . 26713 2 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.761406956974 0.0766087557308 . . . . . . . . . . 26713 2 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.803522969974 0.0623672008587 . . . . . . . . . . 26713 2 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.888372973703 0.0611875333122 . . . . . . . . . . 26713 2 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.75897102421 0.0396612357675 . . . . . . . . . . 26713 2 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.907609704179 0.116778526849 . . . . . . . . . . 26713 2 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.684230250503 0.0264071321622 . . . . . . . . . . 26713 2 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.76898858904 0.0565210748802 . . . . . . . . . . 26713 2 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.844149823635 0.0480343779637 . . . . . . . . . . 26713 2 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.861944042791 0.0643418970866 . . . . . . . . . . 26713 2 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.811873398024 0.054320195955 . . . . . . . . . . 26713 2 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.866366283515 0.0470930262506 . . . . . . . . . . 26713 2 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.67607261257 0.0468737964033 . . . . . . . . . . 26713 2 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.757406494642 0.0253466954357 . . . . . . . . . . 26713 2 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.849121034494 0.065737462998 . . . . . . . . . . 26713 2 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.63156114215 0.0515623945416 . . . . . . . . . . 26713 2 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.60513489822 0.0410273816493 . . . . . . . . . . 26713 2 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.521131892785 0.0350859409588 . . . . . . . . . . 26713 2 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.545887296103 0.0429549697312 . . . . . . . . . . 26713 2 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.71647782895 0.0318247113925 . . . . . . . . . . 26713 2 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.802668826664 0.0780059662757 . . . . . . . . . . 26713 2 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.712992177979 0.0952507226748 . . . . . . . . . . 26713 2 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.785737240545 0.0733252022959 . . . . . . . . . . 26713 2 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.87183816497 0.059947126158 . . . . . . . . . . 26713 2 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.81622977112 0.0443847645172 . . . . . . . . . . 26713 2 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.742716172965 0.0625377018432 . . . . . . . . . . 26713 2 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.688455202512 0.0494834701241 . . . . . . . . . . 26713 2 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.793388805321 0.0508569082862 . . . . . . . . . . 26713 2 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.803745328828 0.0579599988496 . . . . . . . . . . 26713 2 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.827761039893 0.0494714088188 . . . . . . . . . . 26713 2 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.979933165622 0.0789099261062 . . . . . . . . . . 26713 2 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.924299313382 0.0623683047543 . . . . . . . . . . 26713 2 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.807826710282 0.0566487936542 . . . . . . . . . . 26713 2 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.810839740869 0.0703145360781 . . . . . . . . . . 26713 2 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.823511101627 0.0736750868071 . . . . . . . . . . 26713 2 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.832165318307 0.0507326520271 . . . . . . . . . . 26713 2 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.910611922932 0.0621225984657 . . . . . . . . . . 26713 2 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.649095906496 0.0381711313127 . . . . . . . . . . 26713 2 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.708704274223 0.0491813579998 . . . . . . . . . . 26713 2 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.75831873206 0.0540374124254 . . . . . . . . . . 26713 2 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.734046703672 0.0399574907183 . . . . . . . . . . 26713 2 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.804427465532 0.23583555459 . . . . . . . . . . 26713 2 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.537830179132 0.0409009115663 . . . . . . . . . . 26713 2 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.809106907184 0.0292178672708 . . . . . . . . . . 26713 2 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.727274076137 0.0472403889158 . . . . . . . . . . 26713 2 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.751376883138 0.0415146645471 . . . . . . . . . . 26713 2 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.800228476622 0.0492974538952 . . . . . . . . . . 26713 2 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.779053826396 0.0583604498072 . . . . . . . . . . 26713 2 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.833790310914 0.0522835409278 . . . . . . . . . . 26713 2 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.815705704871 0.0314107445399 . . . . . . . . . . 26713 2 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.834811153935 0.0528439837577 . . . . . . . . . . 26713 2 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.777042710518 0.0553209625763 . . . . . . . . . . 26713 2 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.758048016052 0.0327697539328 . . . . . . . . . . 26713 2 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.6562119657 0.018470328267 . . . . . . . . . . 26713 2 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.567701298166 0.0426495370468 . . . . . . . . . . 26713 2 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.654078420035 0.0294753912101 . . . . . . . . . . 26713 2 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.793600469147 0.055087411338 . . . . . . . . . . 26713 2 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.807653006198 0.0445257906446 . . . . . . . . . . 26713 2 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.731073539109 0.0595484540162 . . . . . . . . . . 26713 2 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.765130288935 0.0552075448511 . . . . . . . . . . 26713 2 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.671229388357 0.0471240284068 . . . . . . . . . . 26713 2 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.886642715967 0.0948230876809 . . . . . . . . . . 26713 2 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.693736488515 0.0346094224091 . . . . . . . . . . 26713 2 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.695962510138 0.0353563157185 . . . . . . . . . . 26713 2 stop_ save_ save_600.18_MHz_hetNOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_top _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.18 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '600.18 MHz steady-state NOE' 1 $sample_1 . 26713 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 . . 26713 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.451183166161 0.0503581806598 . . . . . . . . . . 26713 3 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.829787788123 0.0594195547095 . . . . . . . . . . 26713 3 3 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.774804538831 0.0824193181779 . . . . . . . . . . 26713 3 4 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.938260844384 0.110129282137 . . . . . . . . . . 26713 3 5 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.922054052708 0.0881447750496 . . . . . . . . . . 26713 3 6 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.865447799866 0.0648704377181 . . . . . . . . . . 26713 3 7 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 0.841184191255 0.0772910176846 . . . . . . . . . . 26713 3 8 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.836724782769 0.064308060746 . . . . . . . . . . 26713 3 9 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.815148281587 0.0820502436776 . . . . . . . . . . 26713 3 10 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.508332814627 0.129763812515 . . . . . . . . . . 26713 3 11 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.931884601334 0.0919832616648 . . . . . . . . . . 26713 3 12 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.619495692685 0.0640035071163 . . . . . . . . . . 26713 3 13 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.792461224452 0.057442848301 . . . . . . . . . . 26713 3 14 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.726412185234 0.0520008700356 . . . . . . . . . . 26713 3 15 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.867137011329 0.0758201919981 . . . . . . . . . . 26713 3 16 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.900798409428 0.0653133426542 . . . . . . . . . . 26713 3 17 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.804843034943 0.0421327625982 . . . . . . . . . . 26713 3 18 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.867792401489 0.0513274131235 . . . . . . . . . . 26713 3 19 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.832604761308 0.086790769273 . . . . . . . . . . 26713 3 20 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.823925916634 0.0705689025624 . . . . . . . . . . 26713 3 21 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.757231487259 0.0384620761418 . . . . . . . . . . 26713 3 22 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.774352370255 0.0749019267055 . . . . . . . . . . 26713 3 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.567692848284 0.0367915623434 . . . . . . . . . . 26713 3 24 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.838675091395 0.0434586169523 . . . . . . . . . . 26713 3 25 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.866264013071 0.0584007847439 . . . . . . . . . . 26713 3 26 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.769805725278 0.0657779126185 . . . . . . . . . . 26713 3 27 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.157224803251 0.0232489158557 . . . . . . . . . . 26713 3 28 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 -0.449214049005 0.034147555629 . . . . . . . . . . 26713 3 29 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.346682620202 0.0704009696107 . . . . . . . . . . 26713 3 30 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.864591579124 0.104749503276 . . . . . . . . . . 26713 3 31 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.83241240567 0.0801401665851 . . . . . . . . . . 26713 3 32 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.776369557666 0.0725033331863 . . . . . . . . . . 26713 3 33 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.800508714663 0.0779777822889 . . . . . . . . . . 26713 3 34 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.759679306497 0.0414398601686 . . . . . . . . . . 26713 3 35 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.77793743835 0.0606167190343 . . . . . . . . . . 26713 3 36 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.895786985913 0.0611290274434 . . . . . . . . . . 26713 3 37 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.835182827759 0.0172406621548 . . . . . . . . . . 26713 3 38 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.894679940119 0.07802225392 . . . . . . . . . . 26713 3 39 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.762789704081 0.0907106633313 . . . . . . . . . . 26713 3 40 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.812353151464 0.0807699558111 . . . . . . . . . . 26713 3 41 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.784226192729 0.089765909 . . . . . . . . . . 26713 3 42 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.848558952291 0.0806141920738 . . . . . . . . . . 26713 3 43 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.799180611183 0.0905518486737 . . . . . . . . . . 26713 3 44 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.327774599816 0.0307834284753 . . . . . . . . . . 26713 3 45 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.795922952623 0.0824375727839 . . . . . . . . . . 26713 3 46 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.779340966878 0.0529254264232 . . . . . . . . . . 26713 3 47 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.821442264953 0.0618805006295 . . . . . . . . . . 26713 3 48 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.776320141988 0.0483163709093 . . . . . . . . . . 26713 3 49 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 -0.00744734094652 0.15970307119 . . . . . . . . . . 26713 3 50 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.68300484393 0.0639639235263 . . . . . . . . . . 26713 3 51 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.615849340155 0.0548425713143 . . . . . . . . . . 26713 3 52 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.831680106173 0.0739593348421 . . . . . . . . . . 26713 3 53 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.828185112334 0.0784742834964 . . . . . . . . . . 26713 3 54 . 1 1 111 111 GLN N N 15 . 1 1 111 111 GLN H H 1 0.850068718782 0.0766662520585 . . . . . . . . . . 26713 3 55 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.818195026245 0.0888880369676 . . . . . . . . . . 26713 3 56 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 0.890126203109 0.118146446236 . . . . . . . . . . 26713 3 57 . 1 1 114 114 TYR N N 15 . 1 1 114 114 TYR H H 1 0.861138777158 0.0626467755415 . . . . . . . . . . 26713 3 58 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.788033806346 0.0727605832004 . . . . . . . . . . 26713 3 59 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.854004997495 0.105183229267 . . . . . . . . . . 26713 3 60 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.817530794688 0.0758808632803 . . . . . . . . . . 26713 3 61 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.870633520706 0.0582553857417 . . . . . . . . . . 26713 3 62 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.776630954879 0.0556087474551 . . . . . . . . . . 26713 3 63 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.637985542863 0.0543138399359 . . . . . . . . . . 26713 3 64 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.716746401322 0.0538455928449 . . . . . . . . . . 26713 3 65 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.776618424133 0.0959171220081 . . . . . . . . . . 26713 3 66 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.759780288154 0.0830829470573 . . . . . . . . . . 26713 3 67 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.736372303103 0.130648828075 . . . . . . . . . . 26713 3 68 . 1 1 131 131 HIS N N 15 . 1 1 131 131 HIS H H 1 0.75646570007 0.121731977415 . . . . . . . . . . 26713 3 69 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.649579106456 0.0591297303992 . . . . . . . . . . 26713 3 70 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.933829286008 0.0846303732804 . . . . . . . . . . 26713 3 71 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.881507060024 0.171213651187 . . . . . . . . . . 26713 3 72 . 1 1 138 138 TYR N N 15 . 1 1 138 138 TYR H H 1 0.651777545073 0.0828572478042 . . . . . . . . . . 26713 3 73 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.818927545197 0.0994131296684 . . . . . . . . . . 26713 3 74 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.889826561956 0.100157521762 . . . . . . . . . . 26713 3 75 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.888115572646 0.106122115599 . . . . . . . . . . 26713 3 76 . 1 1 142 142 ASN N N 15 . 1 1 142 142 ASN H H 1 0.77667107509 0.0524291835763 . . . . . . . . . . 26713 3 77 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.834084890116 0.0743440889173 . . . . . . . . . . 26713 3 78 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.795657506532 0.0536495258003 . . . . . . . . . . 26713 3 79 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.860902094989 0.0598670399976 . . . . . . . . . . 26713 3 80 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.808007348073 0.0764364713421 . . . . . . . . . . 26713 3 81 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.350232914736 0.10658686752 . . . . . . . . . . 26713 3 82 . 1 1 148 148 TRP N N 15 . 1 1 148 148 TRP H H 1 0.769093134308 0.0350283946133 . . . . . . . . . . 26713 3 83 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.821708137292 0.0434262084199 . . . . . . . . . . 26713 3 84 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.882372179968 0.0808464882751 . . . . . . . . . . 26713 3 85 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.444637039858 0.0375898445126 . . . . . . . . . . 26713 3 86 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.660192317424 0.0446507490923 . . . . . . . . . . 26713 3 87 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.760405685398 0.100185969549 . . . . . . . . . . 26713 3 88 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.724285875534 0.0578028627608 . . . . . . . . . . 26713 3 89 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.822033999447 0.056600785763 . . . . . . . . . . 26713 3 90 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.804978815459 0.0711785287082 . . . . . . . . . . 26713 3 91 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.755716417159 0.0756853681164 . . . . . . . . . . 26713 3 92 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.731735045234 0.0847505872446 . . . . . . . . . . 26713 3 93 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.828188432243 0.068494452428 . . . . . . . . . . 26713 3 94 . 1 1 162 162 TRP N N 15 . 1 1 162 162 TRP H H 1 1.06942465392 0.123516986073 . . . . . . . . . . 26713 3 95 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.942588383402 0.0780455662235 . . . . . . . . . . 26713 3 96 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.808590183741 0.0520747477919 . . . . . . . . . . 26713 3 97 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.772652815856 0.0487274141325 . . . . . . . . . . 26713 3 98 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.8092768018 0.0471615959538 . . . . . . . . . . 26713 3 99 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.720828151777 0.0731896739314 . . . . . . . . . . 26713 3 100 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.764895689555 0.03307958771 . . . . . . . . . . 26713 3 101 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.723939119862 0.0723490383327 . . . . . . . . . . 26713 3 102 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.773538989783 0.0580154242337 . . . . . . . . . . 26713 3 103 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.656483377488 0.0733647360889 . . . . . . . . . . 26713 3 104 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.757372741975 0.0849743950888 . . . . . . . . . . 26713 3 105 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.659154321403 0.072769098856 . . . . . . . . . . 26713 3 106 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.827389229302 0.0739117824763 . . . . . . . . . . 26713 3 107 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.80514585908 0.0704991261022 . . . . . . . . . . 26713 3 108 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.715866035338 0.0549178755147 . . . . . . . . . . 26713 3 109 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.700619785995 0.0607633783514 . . . . . . . . . . 26713 3 110 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.741342863602 0.0798676618636 . . . . . . . . . . 26713 3 stop_ save_ save_750.46_MHz_hetNOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_top _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '750.46 MHz steady-state NOE' 1 $sample_1 . 26713 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 . . 26713 4 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.561726904361 0.0736208775692 . . . . . . . . . . 26713 4 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.817174009809 0.0609195961844 . . . . . . . . . . 26713 4 3 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 1.15798824793 0.14001196122 . . . . . . . . . . 26713 4 4 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.908156093242 0.142993005372 . . . . . . . . . . 26713 4 5 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.780669359158 0.108056225704 . . . . . . . . . . 26713 4 6 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.936283098282 0.0621994185612 . . . . . . . . . . 26713 4 7 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 0.942607705346 0.120107920871 . . . . . . . . . . 26713 4 8 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.832370910057 0.0607420074165 . . . . . . . . . . 26713 4 9 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.64381148612 0.0720995037584 . . . . . . . . . . 26713 4 10 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.128700122325 0.105341662639 . . . . . . . . . . 26713 4 11 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 1.03372135997 0.138427854479 . . . . . . . . . . 26713 4 12 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.686410179978 0.0591230685983 . . . . . . . . . . 26713 4 13 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.839210042384 0.0676965794516 . . . . . . . . . . 26713 4 14 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.797305673748 0.0574074235884 . . . . . . . . . . 26713 4 15 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.843374992986 0.0729700396623 . . . . . . . . . . 26713 4 16 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.899616398699 0.0652428015033 . . . . . . . . . . 26713 4 17 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.817054610115 0.0494835486529 . . . . . . . . . . 26713 4 18 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.793772623609 0.0510190396235 . . . . . . . . . . 26713 4 19 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.75595254139 0.0660737518209 . . . . . . . . . . 26713 4 20 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.721845595177 0.067220192755 . . . . . . . . . . 26713 4 21 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.72502320238 0.0450659656432 . . . . . . . . . . 26713 4 22 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.880219843421 0.114745074372 . . . . . . . . . . 26713 4 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.649468788081 0.0373860560942 . . . . . . . . . . 26713 4 24 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.832421490154 0.0477836828977 . . . . . . . . . . 26713 4 25 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.803575709266 0.0608321314319 . . . . . . . . . . 26713 4 26 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.888772876369 0.0784842628347 . . . . . . . . . . 26713 4 27 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.196680948458 0.0375401466927 . . . . . . . . . . 26713 4 28 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.324995407145 0.0587181812484 . . . . . . . . . . 26713 4 29 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.339453857666 0.0727350757089 . . . . . . . . . . 26713 4 30 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.557170729408 0.0752017447189 . . . . . . . . . . 26713 4 31 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.86870362135 0.084111860297 . . . . . . . . . . 26713 4 32 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.798487696414 0.07604461241 . . . . . . . . . . 26713 4 33 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.886031077446 0.106597326771 . . . . . . . . . . 26713 4 34 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.780270765594 0.046819745689 . . . . . . . . . . 26713 4 35 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.808110662102 0.0639002094325 . . . . . . . . . . 26713 4 36 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.727984810078 0.0525549245106 . . . . . . . . . . 26713 4 37 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.807040246054 0.0159324289835 . . . . . . . . . . 26713 4 38 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 1.41709763026 0.145213959164 . . . . . . . . . . 26713 4 39 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.804968712194 0.137393585508 . . . . . . . . . . 26713 4 40 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.826268154937 0.0849120234937 . . . . . . . . . . 26713 4 41 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.929452346744 0.121976041354 . . . . . . . . . . 26713 4 42 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.90403522283 0.077517228582 . . . . . . . . . . 26713 4 43 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.951163467436 0.111192991035 . . . . . . . . . . 26713 4 44 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.462709876175 0.0362962725186 . . . . . . . . . . 26713 4 45 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.741014402219 0.0921137453607 . . . . . . . . . . 26713 4 46 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.928656298909 0.0590935819147 . . . . . . . . . . 26713 4 47 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.801694426601 0.0607113497093 . . . . . . . . . . 26713 4 48 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.840001015101 0.0570570919734 . . . . . . . . . . 26713 4 49 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.210312991182 0.143230777737 . . . . . . . . . . 26713 4 50 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.724334795867 0.0951004389195 . . . . . . . . . . 26713 4 51 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.570540701344 0.053394047368 . . . . . . . . . . 26713 4 52 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.805783406383 0.0689489493558 . . . . . . . . . . 26713 4 53 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.82055272049 0.140396413165 . . . . . . . . . . 26713 4 54 . 1 1 111 111 GLN N N 15 . 1 1 111 111 GLN H H 1 0.762998791714 0.105122788761 . . . . . . . . . . 26713 4 55 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.686703045389 0.127304054478 . . . . . . . . . . 26713 4 56 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 1.11979463705 0.261404204934 . . . . . . . . . . 26713 4 57 . 1 1 114 114 TYR N N 15 . 1 1 114 114 TYR H H 1 0.867469312933 0.0739777594705 . . . . . . . . . . 26713 4 58 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.945521414985 0.138450474793 . . . . . . . . . . 26713 4 59 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.849819258113 0.111472393219 . . . . . . . . . . 26713 4 60 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.746910434807 0.0930951536594 . . . . . . . . . . 26713 4 61 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.789650830967 0.0527783881559 . . . . . . . . . . 26713 4 62 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.667248133987 0.0499961463901 . . . . . . . . . . 26713 4 63 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.750065168169 0.0573375016312 . . . . . . . . . . 26713 4 64 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.727083434595 0.0552409958377 . . . . . . . . . . 26713 4 65 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.709026513877 0.0757544536703 . . . . . . . . . . 26713 4 66 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.824442965761 0.107137417348 . . . . . . . . . . 26713 4 67 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.840606809237 0.196351348877 . . . . . . . . . . 26713 4 68 . 1 1 131 131 HIS N N 15 . 1 1 131 131 HIS H H 1 1.03303225818 0.372128070837 . . . . . . . . . . 26713 4 69 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.526433797904 0.0996758412682 . . . . . . . . . . 26713 4 70 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.862040538548 0.0958734192354 . . . . . . . . . . 26713 4 71 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.968605341507 0.242754406474 . . . . . . . . . . 26713 4 72 . 1 1 138 138 TYR N N 15 . 1 1 138 138 TYR H H 1 0.83868119726 0.0861254768796 . . . . . . . . . . 26713 4 73 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.762950172242 0.12167422937 . . . . . . . . . . 26713 4 74 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.701445727219 0.115076245263 . . . . . . . . . . 26713 4 75 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.800501771501 0.106476525145 . . . . . . . . . . 26713 4 76 . 1 1 142 142 ASN N N 15 . 1 1 142 142 ASN H H 1 0.744377432227 0.0610938571798 . . . . . . . . . . 26713 4 77 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.789804066046 0.0681587263633 . . . . . . . . . . 26713 4 78 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.795896780951 0.0495984758177 . . . . . . . . . . 26713 4 79 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.835460893674 0.0632543005672 . . . . . . . . . . 26713 4 80 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.688600836824 0.073815070461 . . . . . . . . . . 26713 4 81 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.238283344312 0.0989238695549 . . . . . . . . . . 26713 4 82 . 1 1 148 148 TRP N N 15 . 1 1 148 148 TRP H H 1 0.808238463735 0.0435366955186 . . . . . . . . . . 26713 4 83 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.711430128764 0.0422112704321 . . . . . . . . . . 26713 4 84 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.870223143754 0.0975370566947 . . . . . . . . . . 26713 4 85 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.702929823469 0.0670717302545 . . . . . . . . . . 26713 4 86 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.781917481016 0.050343118226 . . . . . . . . . . 26713 4 87 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.529475885113 0.0964495636686 . . . . . . . . . . 26713 4 88 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.721500971679 0.0507645101635 . . . . . . . . . . 26713 4 89 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.785270636303 0.0510494917321 . . . . . . . . . . 26713 4 90 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.717699859059 0.0553010177444 . . . . . . . . . . 26713 4 91 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.82380577423 0.0773237957588 . . . . . . . . . . 26713 4 92 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.789352515908 0.0733938615531 . . . . . . . . . . 26713 4 93 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.777981873477 0.0630228024544 . . . . . . . . . . 26713 4 94 . 1 1 162 162 TRP N N 15 . 1 1 162 162 TRP H H 1 0.688466775842 0.282784263843 . . . . . . . . . . 26713 4 95 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.808233647527 0.0714433232119 . . . . . . . . . . 26713 4 96 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.784717623858 0.0487919400392 . . . . . . . . . . 26713 4 97 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.830737970293 0.0535856147181 . . . . . . . . . . 26713 4 98 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.911226190509 0.0538228723308 . . . . . . . . . . 26713 4 99 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.827811381838 0.13694989206 . . . . . . . . . . 26713 4 100 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.662630880941 0.0341972312193 . . . . . . . . . . 26713 4 101 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.7625496808 0.090741844726 . . . . . . . . . . 26713 4 102 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.699272584287 0.0556165099026 . . . . . . . . . . 26713 4 103 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.908137092225 0.134475710286 . . . . . . . . . . 26713 4 104 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.753927612485 0.124356754542 . . . . . . . . . . 26713 4 105 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.749716171127 0.072981595564 . . . . . . . . . . 26713 4 106 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.842266848354 0.0771068919527 . . . . . . . . . . 26713 4 107 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.678070302005 0.0631460920429 . . . . . . . . . . 26713 4 108 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.77581273946 0.0599330789123 . . . . . . . . . . 26713 4 109 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.800553005253 0.0797287659532 . . . . . . . . . . 26713 4 110 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.60624526937 0.0948756461472 . . . . . . . . . . 26713 4 stop_ save_ save_600.18_MHz_hetNOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_bottom _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.18 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '600.18 MHz steady-state NOE' 1 $sample_1 . 26713 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 . . 26713 5 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.751029920388 0.040469416958 . . . . . . . . . . 26713 5 2 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.754752000421 0.0498583148871 . . . . . . . . . . 26713 5 3 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.788934054514 0.0220041000355 . . . . . . . . . . 26713 5 4 . 1 1 207 207 HIS N N 15 . 1 1 207 207 HIS H H 1 . . . . . . . . . . . . 26713 5 5 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.667920840657 0.0245013151044 . . . . . . . . . . 26713 5 6 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.672834489651 0.0228278427584 . . . . . . . . . . 26713 5 7 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.723316930209 0.0711955294842 . . . . . . . . . . 26713 5 8 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.756054174055 0.0217636431637 . . . . . . . . . . 26713 5 9 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.791095441782 0.0167119176061 . . . . . . . . . . 26713 5 10 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.739071889833 0.0215777215188 . . . . . . . . . . 26713 5 11 . 1 1 216 216 LEU N N 15 . 1 1 216 216 LEU H H 1 0.830520064124 0.0187015741593 . . . . . . . . . . 26713 5 12 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.801105489645 0.0362149043628 . . . . . . . . . . 26713 5 13 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.795759162906 0.0382819777447 . . . . . . . . . . 26713 5 14 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.897841612547 0.0454270498804 . . . . . . . . . . 26713 5 15 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.671800318715 0.033344726371 . . . . . . . . . . 26713 5 16 . 1 1 223 223 PHE N N 15 . 1 1 223 223 PHE H H 1 0.74480320161 0.0284587862238 . . . . . . . . . . 26713 5 17 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.786222910651 0.0378623945282 . . . . . . . . . . 26713 5 18 . 1 1 229 229 THR N N 15 . 1 1 229 229 THR H H 1 0.591109753104 0.0334322922903 . . . . . . . . . . 26713 5 19 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.743089813981 0.0397457919544 . . . . . . . . . . 26713 5 20 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.711815228396 0.0278104506745 . . . . . . . . . . 26713 5 21 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.777294690957 0.0203372824478 . . . . . . . . . . 26713 5 22 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.697663819141 0.0178382059396 . . . . . . . . . . 26713 5 23 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.740980707808 0.020343723727 . . . . . . . . . . 26713 5 24 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.743027897962 0.0284851076945 . . . . . . . . . . 26713 5 25 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.699341786488 0.0154181853396 . . . . . . . . . . 26713 5 26 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.536406468101 0.0443313079625 . . . . . . . . . . 26713 5 27 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.608575525503 0.0439200895453 . . . . . . . . . . 26713 5 28 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.706417618503 0.039354907917 . . . . . . . . . . 26713 5 29 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.718580795886 0.0358819625612 . . . . . . . . . . 26713 5 30 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.581114234788 0.0402387937443 . . . . . . . . . . 26713 5 31 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.760900336197 0.0372981997993 . . . . . . . . . . 26713 5 32 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.820985193103 0.0532378706481 . . . . . . . . . . 26713 5 33 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.811159201149 0.0564389484194 . . . . . . . . . . 26713 5 34 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.811411989283 0.0759683249535 . . . . . . . . . . 26713 5 35 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.651737315062 0.070759814974 . . . . . . . . . . 26713 5 36 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.607588216612 0.0745108560595 . . . . . . . . . . 26713 5 37 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.582134259423 0.0621908551111 . . . . . . . . . . 26713 5 38 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.766843902011 0.0363906556113 . . . . . . . . . . 26713 5 39 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.768618766248 0.0492265597401 . . . . . . . . . . 26713 5 40 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.837054540325 0.0477210901185 . . . . . . . . . . 26713 5 41 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.777734316687 0.0176588979449 . . . . . . . . . . 26713 5 42 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.751700532453 0.0173853084902 . . . . . . . . . . 26713 5 43 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.760780311123 0.0237247677886 . . . . . . . . . . 26713 5 44 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.721344218078 0.02025182495 . . . . . . . . . . 26713 5 45 . 1 1 271 271 ARG N N 15 . 1 1 271 271 ARG H H 1 0.761150005964 0.0211619175365 . . . . . . . . . . 26713 5 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.749397730572 0.0207477229072 . . . . . . . . . . 26713 5 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.78447894742 0.0189524734352 . . . . . . . . . . 26713 5 48 . 1 1 274 274 CYS N N 15 . 1 1 274 274 CYS H H 1 0.811458817848 0.0238212583436 . . . . . . . . . . 26713 5 49 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.811975644241 0.0198248916505 . . . . . . . . . . 26713 5 50 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.798541293787 0.0249418727706 . . . . . . . . . . 26713 5 51 . 1 1 277 277 GLN N N 15 . 1 1 277 277 GLN H H 1 0.790566416491 0.0179603530479 . . . . . . . . . . 26713 5 52 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.68901268309 0.0369110363169 . . . . . . . . . . 26713 5 53 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.742809229099 0.0406047304517 . . . . . . . . . . 26713 5 54 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.818266111886 0.0691896941775 . . . . . . . . . . 26713 5 55 . 1 1 281 281 LEU N N 15 . 1 1 281 281 LEU H H 1 0.75136734435 0.0198828788204 . . . . . . . . . . 26713 5 56 . 1 1 285 285 LEU N N 15 . 1 1 285 285 LEU H H 1 . . . . . . . . . . . . 26713 5 57 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.768085964765 0.0158172026822 . . . . . . . . . . 26713 5 58 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.71695016403 0.0135901806401 . . . . . . . . . . 26713 5 59 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.648345179863 0.0151323854 . . . . . . . . . . 26713 5 60 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.306772343768 0.0104335582107 . . . . . . . . . . 26713 5 stop_ save_ save_750.46_MHz_hetNOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_bottom _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 6 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '750.46 MHz steady-state NOE' 1 $sample_1 . 26713 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 . . 26713 6 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.827326556513 0.0539680783869 . . . . . . . . . . 26713 6 2 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.767412953112 0.0509023182677 . . . . . . . . . . 26713 6 3 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.749678986284 0.0215188404526 . . . . . . . . . . 26713 6 4 . 1 1 207 207 HIS N N 15 . 1 1 207 207 HIS H H 1 0.799363506923 0.0183526168271 . . . . . . . . . . 26713 6 5 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.757135699016 0.0276455147038 . . . . . . . . . . 26713 6 6 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.691180024025 0.020254859955 . . . . . . . . . . 26713 6 7 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.665403083181 0.0498121063492 . . . . . . . . . . 26713 6 8 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.748421087048 0.0195597269199 . . . . . . . . . . 26713 6 9 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.819880734062 0.016727199836 . . . . . . . . . . 26713 6 10 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.809460541703 0.0299491376847 . . . . . . . . . . 26713 6 11 . 1 1 216 216 LEU N N 15 . 1 1 216 216 LEU H H 1 0.823455956849 0.0199616836551 . . . . . . . . . . 26713 6 12 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.816246519638 0.0396184250056 . . . . . . . . . . 26713 6 13 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.779504526715 0.042608065469 . . . . . . . . . . 26713 6 14 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.785909099357 0.0447732713907 . . . . . . . . . . 26713 6 15 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.600788068648 0.0369387999817 . . . . . . . . . . 26713 6 16 . 1 1 223 223 PHE N N 15 . 1 1 223 223 PHE H H 1 0.63454766372 0.0287944012425 . . . . . . . . . . 26713 6 17 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.813109602356 0.0412022357713 . . . . . . . . . . 26713 6 18 . 1 1 229 229 THR N N 15 . 1 1 229 229 THR H H 1 0.60648516568 0.033729200782 . . . . . . . . . . 26713 6 19 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.753019040476 0.0442001990248 . . . . . . . . . . 26713 6 20 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.777211525378 0.0357260424245 . . . . . . . . . . 26713 6 21 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.769977012171 0.0211981605493 . . . . . . . . . . 26713 6 22 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.737790526558 0.0198641224594 . . . . . . . . . . 26713 6 23 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.742171579956 0.0207393404614 . . . . . . . . . . 26713 6 24 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.713821125978 0.0264126282352 . . . . . . . . . . 26713 6 25 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.709593812706 0.0158294358782 . . . . . . . . . . 26713 6 26 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.61530987148 0.0524446163756 . . . . . . . . . . 26713 6 27 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.560428763643 0.0360123171436 . . . . . . . . . . 26713 6 28 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.765089635512 0.0460960812918 . . . . . . . . . . 26713 6 29 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.754232856453 0.046017946333 . . . . . . . . . . 26713 6 30 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.60870694309 0.0444287414772 . . . . . . . . . . 26713 6 31 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.770779807823 0.039774815435 . . . . . . . . . . 26713 6 32 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.915576712336 0.0586310654175 . . . . . . . . . . 26713 6 33 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.804731424994 0.0572662587527 . . . . . . . . . . 26713 6 34 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.941295579333 0.101351275134 . . . . . . . . . . 26713 6 35 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.64773304654 0.0698018005505 . . . . . . . . . . 26713 6 36 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.768965060519 0.103096142625 . . . . . . . . . . 26713 6 37 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.736220417993 0.0873719564002 . . . . . . . . . . 26713 6 38 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.796516046738 0.0404173553417 . . . . . . . . . . 26713 6 39 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.907751765575 0.0552739358577 . . . . . . . . . . 26713 6 40 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.814995245914 0.057982132443 . . . . . . . . . . 26713 6 41 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.729006579156 0.0195838784059 . . . . . . . . . . 26713 6 42 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.749874529806 0.0175210337332 . . . . . . . . . . 26713 6 43 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.784714919097 0.0244145468466 . . . . . . . . . . 26713 6 44 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.738320407151 0.0204062965314 . . . . . . . . . . 26713 6 45 . 1 1 271 271 ARG N N 15 . 1 1 271 271 ARG H H 1 0.788694889007 0.0192715623011 . . . . . . . . . . 26713 6 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.808388314469 0.0243056125575 . . . . . . . . . . 26713 6 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.771045076931 0.0189383322514 . . . . . . . . . . 26713 6 48 . 1 1 274 274 CYS N N 15 . 1 1 274 274 CYS H H 1 0.811227473812 0.0251678182147 . . . . . . . . . . 26713 6 49 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.826066241255 0.0218455842335 . . . . . . . . . . 26713 6 50 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.834607162997 0.027533967433 . . . . . . . . . . 26713 6 51 . 1 1 277 277 GLN N N 15 . 1 1 277 277 GLN H H 1 0.806993544636 0.0190191725893 . . . . . . . . . . 26713 6 52 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.69203771227 0.0394266183256 . . . . . . . . . . 26713 6 53 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.734181186479 0.0455997424529 . . . . . . . . . . 26713 6 54 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.892426146268 0.0854578169242 . . . . . . . . . . 26713 6 55 . 1 1 281 281 LEU N N 15 . 1 1 281 281 LEU H H 1 0.790722319035 0.0212742511342 . . . . . . . . . . 26713 6 56 . 1 1 285 285 LEU N N 15 . 1 1 285 285 LEU H H 1 0.750024172119 0.0323794923414 . . . . . . . . . . 26713 6 57 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.813914044707 0.0161437412228 . . . . . . . . . . 26713 6 58 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.733405043353 0.0140230478718 . . . . . . . . . . 26713 6 59 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.657511781606 0.0160959662216 . . . . . . . . . . 26713 6 60 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.344996118765 0.0118289747379 . . . . . . . . . . 26713 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 26713 _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 . 26713 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 0.902117794635 0.0995880312135 . . . . . . . 26713 1 2 . . 2 2 8 8 ILE N N 15 0.472009947537 0.123424171576 . . . . . . . 26713 1 3 . . 2 2 9 9 GLN N N 15 0.651206309197 0.0813601140719 . . . . . . . 26713 1 4 . . 2 2 12 12 SER N N 15 0.59299584311 0.0700597848969 . . . . . . . 26713 1 5 . . 2 2 13 13 ARG N N 15 0.908285182348 0.149555770919 . . . . . . . 26713 1 6 . . 2 2 14 14 HIS N N 15 0.632969490539 0.0545162104894 . . . . . . . 26713 1 7 . . 2 2 17 17 GLU N N 15 0.734282905864 0.103717511656 . . . . . . . 26713 1 8 . . 2 2 19 19 GLY N N 15 0.739570518227 0.123361185245 . . . . . . . 26713 1 9 . . 2 2 20 20 LYS N N 15 0.719805930468 0.0341173727939 . . . . . . . 26713 1 10 . . 2 2 23 23 PHE N N 15 0.57824946648 0.0712077209707 . . . . . . . 26713 1 11 . . 2 2 25 25 ASN N N 15 0.750921955965 0.110160771541 . . . . . . . 26713 1 12 . . 2 2 26 26 CYS N N 15 0.655560323589 0.0698665400649 . . . . . . . 26713 1 13 . . 2 2 27 27 TYR N N 15 0.472875142848 0.0976320048877 . . . . . . . 26713 1 14 . . 2 2 29 29 SER N N 15 0.487195884115 0.0803179361691 . . . . . . . 26713 1 15 . . 2 2 30 30 GLY N N 15 0.661159075112 0.0886896440974 . . . . . . . 26713 1 16 . . 2 2 31 31 PHE N N 15 0.7329580487 0.07495429202 . . . . . . . 26713 1 17 . . 2 2 34 34 SER N N 15 0.659773721463 0.183353679202 . . . . . . . 26713 1 18 . . 2 2 35 35 ASP N N 15 0.712563690705 0.0375984315416 . . . . . . . 26713 1 19 . . 2 2 37 37 GLU N N 15 0.506884784291 0.0651916732856 . . . . . . . 26713 1 20 . . 2 2 38 38 VAL N N 15 0.5875356716 0.0431826011648 . . . . . . . 26713 1 21 . . 2 2 40 40 LEU N N 15 0.578529357113 0.0652607082639 . . . . . . . 26713 1 22 . . 2 2 41 41 LEU N N 15 0.755048349398 0.0909496039293 . . . . . . . 26713 1 23 . . 2 2 43 43 ASN N N 15 0.812250710847 0.0716435694935 . . . . . . . 26713 1 24 . . 2 2 44 44 GLY N N 15 0.689056946122 0.145536684532 . . . . . . . 26713 1 25 . . 2 2 45 45 GLU N N 15 0.629988566819 0.0285276922943 . . . . . . . 26713 1 26 . . 2 2 46 46 ARG N N 15 0.76416443438 0.167438404487 . . . . . . . 26713 1 27 . . 2 2 47 47 ILE N N 15 0.65949163609 0.0978445725756 . . . . . . . 26713 1 28 . . 2 2 48 48 GLU N N 15 0.580541563635 0.0996295327716 . . . . . . . 26713 1 29 . . 2 2 49 49 LYS N N 15 0.595230003464 0.0519075122475 . . . . . . . 26713 1 30 . . 2 2 51 51 GLU N N 15 0.609149407661 0.0520623660759 . . . . . . . 26713 1 31 . . 2 2 52 52 HIS N N 15 0.593142924161 0.0312743803863 . . . . . . . 26713 1 32 . . 2 2 53 53 SER N N 15 0.534826377873 0.0938041508434 . . . . . . . 26713 1 33 . . 2 2 54 54 ASP N N 15 0.584598514587 0.201538925546 . . . . . . . 26713 1 34 . . 2 2 55 55 LEU N N 15 0.729308894018 0.123094874995 . . . . . . . 26713 1 35 . . 2 2 56 56 SER N N 15 0.592703777705 0.0854552265335 . . . . . . . 26713 1 36 . . 2 2 57 57 PHE N N 15 0.639129776166 0.0532454349128 . . . . . . . 26713 1 37 . . 2 2 58 58 SER N N 15 0.793336646363 0.116032710054 . . . . . . . 26713 1 38 . . 2 2 60 60 ASP N N 15 0.556109215453 0.0984719113516 . . . . . . . 26713 1 39 . . 2 2 61 61 TRP N N 15 0.777218334473 0.0832800480837 . . . . . . . 26713 1 40 . . 2 2 61 61 TRP NE1 N 15 0.600600955873 0.0488845838646 . . . . . . . 26713 1 41 . . 2 2 62 62 SER N N 15 0.680534730359 0.0735728057895 . . . . . . . 26713 1 42 . . 2 2 63 63 PHE N N 15 0.838699591198 0.0985853480604 . . . . . . . 26713 1 43 . . 2 2 64 64 TYR N N 15 0.5301852779 0.0817585619162 . . . . . . . 26713 1 44 . . 2 2 65 65 LEU N N 15 0.64516092027 0.0773759643775 . . . . . . . 26713 1 45 . . 2 2 66 66 LEU N N 15 0.565286771576 0.106588952892 . . . . . . . 26713 1 46 . . 2 2 67 67 TYR N N 15 0.582794462696 0.104142612474 . . . . . . . 26713 1 47 . . 2 2 68 68 TYR N N 15 0.589708703521 0.0600673200128 . . . . . . . 26713 1 48 . . 2 2 69 69 THR N N 15 0.688605344224 0.0775400802039 . . . . . . . 26713 1 49 . . 2 2 70 70 GLU N N 15 0.638292621956 0.0426919846888 . . . . . . . 26713 1 50 . . 2 2 71 71 PHE N N 15 0.659315412633 0.0872912387754 . . . . . . . 26713 1 51 . . 2 2 72 72 THR N N 15 0.715645824586 0.0900619637561 . . . . . . . 26713 1 52 . . 2 2 74 74 THR N N 15 0.609300373148 0.0537549113817 . . . . . . . 26713 1 53 . . 2 2 75 75 GLU N N 15 0.864698363619 39.412612322 . . . . . . . 26713 1 54 . . 2 2 76 76 LYS N N 15 0.765890746734 0.0938506231165 . . . . . . . 26713 1 55 . . 2 2 77 77 ASP N N 15 0.730559252545 0.0487603126169 . . . . . . . 26713 1 56 . . 2 2 79 79 TYR N N 15 0.603004460592 0.0589372629361 . . . . . . . 26713 1 57 . . 2 2 81 81 CYS N N 15 0.719667864437 0.0593865053791 . . . . . . . 26713 1 58 . . 2 2 82 82 ARG N N 15 0.670757393355 0.0687309799661 . . . . . . . 26713 1 59 . . 2 2 83 83 VAL N N 15 0.644728120565 0.0787820669708 . . . . . . . 26713 1 60 . . 2 2 84 84 ASN N N 15 0.645287658584 0.0722063764049 . . . . . . . 26713 1 61 . . 2 2 85 85 HIS N N 15 0.681922206009 0.0405710718077 . . . . . . . 26713 1 62 . . 2 2 86 86 VAL N N 15 0.805990726933 0.132262623927 . . . . . . . 26713 1 63 . . 2 2 87 87 THR N N 15 0.715112520325 0.0940071168911 . . . . . . . 26713 1 64 . . 2 2 88 88 LEU N N 15 0.645284886177 0.0414783956445 . . . . . . . 26713 1 65 . . 2 2 90 90 GLN N N 15 0.793338453796 0.0271714695744 . . . . . . . 26713 1 66 . . 2 2 92 92 LYS N N 15 0.500529232596 0.0692049500299 . . . . . . . 26713 1 67 . . 2 2 93 93 ILE N N 15 0.718254920607 0.0403189795384 . . . . . . . 26713 1 68 . . 2 2 94 94 VAL N N 15 0.590241528291 0.0658628675598 . . . . . . . 26713 1 69 . . 2 2 95 95 LYS N N 15 0.723663825964 0.0550095157933 . . . . . . . 26713 1 70 . . 2 2 96 96 TRP N N 15 0.561390444433 0.0872380738733 . . . . . . . 26713 1 71 . . 2 2 96 96 TRP NE1 N 15 0.532409148284 0.0577075753862 . . . . . . . 26713 1 72 . . 2 2 97 97 ASP N N 15 0.735340898203 0.0818514819793 . . . . . . . 26713 1 73 . . 2 2 98 98 ARG N N 15 0.708732689275 0.165294694512 . . . . . . . 26713 1 74 . . 2 2 99 99 ASP N N 15 0.670630839172 0.047600003427 . . . . . . . 26713 1 75 . . 2 2 100 100 MET N N 15 0.701833456979 0.0354008333003 . . . . . . . 26713 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 26713 _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 . 26713 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 16.8987092402 1.27071342703 . . . . . . . 26713 2 2 . . 2 2 8 8 ILE N N 15 18.5130568551 2.43670182999 . . . . . . . 26713 2 3 . . 2 2 9 9 GLN N N 15 32.4681019204 4.0802435162 . . . . . . . 26713 2 4 . . 2 2 12 12 SER N N 15 25.7320347295 3.11114591305 . . . . . . . 26713 2 5 . . 2 2 13 13 ARG N N 15 30.1112550787 5.0660429299 . . . . . . . 26713 2 6 . . 2 2 14 14 HIS N N 15 23.4601127713 1.74229351757 . . . . . . . 26713 2 7 . . 2 2 17 17 GLU N N 15 29.1694840801 2.96583834286 . . . . . . . 26713 2 8 . . 2 2 19 19 GLY N N 15 24.8142220604 3.72321530869 . . . . . . . 26713 2 9 . . 2 2 20 20 LYS N N 15 28.4304100071 1.16054835124 . . . . . . . 26713 2 10 . . 2 2 23 23 PHE N N 15 27.5286811922 2.71459876251 . . . . . . . 26713 2 11 . . 2 2 25 25 ASN N N 15 32.6616808358 5.73376029825 . . . . . . . 26713 2 12 . . 2 2 26 26 CYS N N 15 26.6188685978 3.01593006102 . . . . . . . 26713 2 13 . . 2 2 27 27 TYR N N 15 29.2635784998 5.77590902475 . . . . . . . 26713 2 14 . . 2 2 29 29 SER N N 15 34.0949505197 4.24238728359 . . . . . . . 26713 2 15 . . 2 2 30 30 GLY N N 15 23.5094268746 2.62895921126 . . . . . . . 26713 2 16 . . 2 2 31 31 PHE N N 15 26.0235704299 2.48582167132 . . . . . . . 26713 2 17 . . 2 2 34 34 SER N N 15 41.5478074214 11.3961698539 . . . . . . . 26713 2 18 . . 2 2 35 35 ASP N N 15 25.525012996 1.1038375903 . . . . . . . 26713 2 19 . . 2 2 37 37 GLU N N 15 27.3311007465 2.75384045207 . . . . . . . 26713 2 20 . . 2 2 38 38 VAL N N 15 16.5703324152 1.06816758847 . . . . . . . 26713 2 21 . . 2 2 40 40 LEU N N 15 25.779479223 2.51874862986 . . . . . . . 26713 2 22 . . 2 2 41 41 LEU N N 15 27.627013421 3.30445753217 . . . . . . . 26713 2 23 . . 2 2 43 43 ASN N N 15 28.0021749774 2.08838253744 . . . . . . . 26713 2 24 . . 2 2 44 44 GLY N N 15 23.7759325161 4.34995284575 . . . . . . . 26713 2 25 . . 2 2 45 45 GLU N N 15 28.4550490461 1.09864159422 . . . . . . . 26713 2 26 . . 2 2 46 46 ARG N N 15 27.5606680052 4.23592757187 . . . . . . . 26713 2 27 . . 2 2 47 47 ILE N N 15 25.3552872762 3.49771082908 . . . . . . . 26713 2 28 . . 2 2 48 48 GLU N N 15 28.1334932134 2.81334932134 . . . . . . . 26713 2 29 . . 2 2 49 49 LYS N N 15 18.0268524971 1.01669777863 . . . . . . . 26713 2 30 . . 2 2 51 51 GLU N N 15 25.3768560934 1.83671618296 . . . . . . . 26713 2 31 . . 2 2 52 52 HIS N N 15 26.0805901545 1.20611078807 . . . . . . . 26713 2 32 . . 2 2 53 53 SER N N 15 32.5474814504 4.39380503494 . . . . . . . 26713 2 33 . . 2 2 54 54 ASP N N 15 27.7549081391 6.04454317026 . . . . . . . 26713 2 34 . . 2 2 55 55 LEU N N 15 23.6516923994 3.17393995376 . . . . . . . 26713 2 35 . . 2 2 56 56 SER N N 15 29.6845839864 3.49596570144 . . . . . . . 26713 2 36 . . 2 2 57 57 PHE N N 15 21.5205060081 1.36548493456 . . . . . . . 26713 2 37 . . 2 2 58 58 SER N N 15 25.3880585407 3.44640276041 . . . . . . . 26713 2 38 . . 2 2 60 60 ASP N N 15 27.3107859609 2.62958256644 . . . . . . . 26713 2 39 . . 2 2 61 61 TRP N N 15 30.695750735 2.69170039963 . . . . . . . 26713 2 40 . . 2 2 61 61 TRP NE1 N 15 21.2097872319 1.45161533112 . . . . . . . 26713 2 41 . . 2 2 62 62 SER N N 15 33.2370199533 2.95375540472 . . . . . . . 26713 2 42 . . 2 2 63 63 PHE N N 15 14.3273301632 1.73128388156 . . . . . . . 26713 2 43 . . 2 2 64 64 TYR N N 15 29.690102497 4.10692643311 . . . . . . . 26713 2 44 . . 2 2 65 65 LEU N N 15 30.2214773637 3.61203609147 . . . . . . . 26713 2 45 . . 2 2 66 66 LEU N N 15 28.1746270992 5.35881961315 . . . . . . . 26713 2 46 . . 2 2 67 67 TYR N N 15 31.8531190343 5.71703676432 . . . . . . . 26713 2 47 . . 2 2 68 68 TYR N N 15 33.1855957291 3.14839344297 . . . . . . . 26713 2 48 . . 2 2 69 69 THR N N 15 30.9268837589 3.31130216127 . . . . . . . 26713 2 49 . . 2 2 70 70 GLU N N 15 24.4197632227 1.38750127522 . . . . . . . 26713 2 50 . . 2 2 71 71 PHE N N 15 27.7888332372 3.06134551466 . . . . . . . 26713 2 51 . . 2 2 72 72 THR N N 15 26.9702083224 2.6645964614 . . . . . . . 26713 2 52 . . 2 2 74 74 THR N N 15 26.2603000775 1.70758712362 . . . . . . . 26713 2 53 . . 2 2 75 75 GLU N N 15 120.285935531 630.938486033 . . . . . . . 26713 2 54 . . 2 2 76 76 LYS N N 15 22.7574041689 1.84099232158 . . . . . . . 26713 2 55 . . 2 2 77 77 ASP N N 15 26.2602549252 1.23377760307 . . . . . . . 26713 2 56 . . 2 2 79 79 TYR N N 15 26.5410529638 2.34335253559 . . . . . . . 26713 2 57 . . 2 2 81 81 CYS N N 15 27.631871711 2.25308236944 . . . . . . . 26713 2 58 . . 2 2 82 82 ARG N N 15 28.8127571725 2.59541764555 . . . . . . . 26713 2 59 . . 2 2 83 83 VAL N N 15 27.9441975092 3.26512309746 . . . . . . . 26713 2 60 . . 2 2 84 84 ASN N N 15 29.9991916326 2.94539949532 . . . . . . . 26713 2 61 . . 2 2 85 85 HIS N N 15 25.9304465761 1.46529187277 . . . . . . . 26713 2 62 . . 2 2 86 86 VAL N N 15 33.8593122617 4.36900424612 . . . . . . . 26713 2 63 . . 2 2 87 87 THR N N 15 29.8551921081 3.58973176518 . . . . . . . 26713 2 64 . . 2 2 88 88 LEU N N 15 31.4279945129 1.7939007735 . . . . . . . 26713 2 65 . . 2 2 90 90 GLN N N 15 26.0656754894 0.71428567714 . . . . . . . 26713 2 66 . . 2 2 92 92 LYS N N 15 27.9728795397 3.33918866141 . . . . . . . 26713 2 67 . . 2 2 93 93 ILE N N 15 25.2430805408 1.21935532018 . . . . . . . 26713 2 68 . . 2 2 94 94 VAL N N 15 29.4425897602 2.79819628439 . . . . . . . 26713 2 69 . . 2 2 95 95 LYS N N 15 26.7479111529 2.07451305586 . . . . . . . 26713 2 70 . . 2 2 96 96 TRP N N 15 22.4909095668 3.02971609329 . . . . . . . 26713 2 71 . . 2 2 96 96 TRP NE1 N 15 19.5409072683 1.81523354266 . . . . . . . 26713 2 72 . . 2 2 97 97 ASP N N 15 31.5412545293 3.52404471556 . . . . . . . 26713 2 73 . . 2 2 98 98 ARG N N 15 28.8161671314 5.07346651028 . . . . . . . 26713 2 74 . . 2 2 99 99 ASP N N 15 25.0703555711 1.32155569798 . . . . . . . 26713 2 75 . . 2 2 100 100 MET N N 15 22.9489846396 1.02731939349 . . . . . . . 26713 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 26713 _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 . 26713 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 0.773255440151 0.0629729866835 . . . . . . . 26713 3 2 . . 2 2 8 8 ILE N N 15 0.578470875943 0.0945834618556 . . . . . . . 26713 3 3 . . 2 2 9 9 GLN N N 15 0.39080842614 0.0440232171428 . . . . . . . 26713 3 4 . . 2 2 12 12 SER N N 15 0.40876941872 0.0426371057276 . . . . . . . 26713 3 5 . . 2 2 13 13 ARG N N 15 0.469201729076 0.0641179318228 . . . . . . . 26713 3 6 . . 2 2 14 14 HIS N N 15 0.522886343481 0.0335655122517 . . . . . . . 26713 3 7 . . 2 2 17 17 GLU N N 15 0.476201370554 0.0548976200304 . . . . . . . 26713 3 8 . . 2 2 19 19 GLY N N 15 0.461690386304 0.062154231082 . . . . . . . 26713 3 9 . . 2 2 20 20 LYS N N 15 0.534150591501 0.0228863568663 . . . . . . . 26713 3 10 . . 2 2 23 23 PHE N N 15 0.448569561804 0.0503387993008 . . . . . . . 26713 3 11 . . 2 2 25 25 ASN N N 15 0.469526777577 0.0530181321798 . . . . . . . 26713 3 12 . . 2 2 26 26 CYS N N 15 0.383556565717 0.0415787580815 . . . . . . . 26713 3 13 . . 2 2 27 27 TYR N N 15 0.437072899023 0.0787389499378 . . . . . . . 26713 3 14 . . 2 2 29 29 SER N N 15 0.509224073979 0.050138617498 . . . . . . . 26713 3 15 . . 2 2 30 30 GLY N N 15 0.48465210919 0.0507172263429 . . . . . . . 26713 3 16 . . 2 2 31 31 PHE N N 15 0.511253655728 0.0323143315789 . . . . . . . 26713 3 17 . . 2 2 34 34 SER N N 15 0.469826746145 0.106033463523 . . . . . . . 26713 3 18 . . 2 2 35 35 ASP N N 15 0.476401667566 0.0164369417206 . . . . . . . 26713 3 19 . . 2 2 37 37 GLU N N 15 0.440856320972 0.043111627209 . . . . . . . 26713 3 20 . . 2 2 38 38 VAL N N 15 0.404013450831 0.0277866095186 . . . . . . . 26713 3 21 . . 2 2 40 40 LEU N N 15 0.374558389219 0.0394761025122 . . . . . . . 26713 3 22 . . 2 2 41 41 LEU N N 15 0.482427097744 0.0484588718154 . . . . . . . 26713 3 23 . . 2 2 43 43 ASN N N 15 0.612935377573 0.0571474064141 . . . . . . . 26713 3 24 . . 2 2 44 44 GLY N N 15 0.548108320154 0.0732341451796 . . . . . . . 26713 3 25 . . 2 2 45 45 GLU N N 15 0.50467260709 0.0207346854029 . . . . . . . 26713 3 26 . . 2 2 46 46 ARG N N 15 0.513406104985 0.0924181203942 . . . . . . . 26713 3 27 . . 2 2 47 47 ILE N N 15 0.504590814828 0.0636975061646 . . . . . . . 26713 3 28 . . 2 2 48 48 GLU N N 15 0.519356942707 0.0614146203653 . . . . . . . 26713 3 29 . . 2 2 49 49 LYS N N 15 0.418187082273 0.0348676339983 . . . . . . . 26713 3 30 . . 2 2 51 51 GLU N N 15 0.406984219642 0.0327292584816 . . . . . . . 26713 3 31 . . 2 2 52 52 HIS N N 15 0.442166971453 0.0197095957269 . . . . . . . 26713 3 32 . . 2 2 53 53 SER N N 15 0.442587673204 0.0591223231323 . . . . . . . 26713 3 33 . . 2 2 54 54 ASP N N 15 0.511457364695 0.112780519916 . . . . . . . 26713 3 34 . . 2 2 55 55 LEU N N 15 0.621242910634 0.0770917122545 . . . . . . . 26713 3 35 . . 2 2 56 56 SER N N 15 0.444076225372 0.0461218777063 . . . . . . . 26713 3 36 . . 2 2 57 57 PHE N N 15 0.465471887065 0.0299995645867 . . . . . . . 26713 3 37 . . 2 2 58 58 SER N N 15 0.484283317895 0.0587955149443 . . . . . . . 26713 3 38 . . 2 2 60 60 ASP N N 15 0.463140908718 0.0484753553862 . . . . . . . 26713 3 39 . . 2 2 61 61 TRP N N 15 0.486415976311 0.0435156338045 . . . . . . . 26713 3 40 . . 2 2 61 61 TRP NE1 N 15 0.380870221229 0.0380870221229 . . . . . . . 26713 3 41 . . 2 2 62 62 SER N N 15 0.510728353805 0.0457129268777 . . . . . . . 26713 3 42 . . 2 2 63 63 PHE N N 15 0.522041438728 0.0637253152056 . . . . . . . 26713 3 43 . . 2 2 64 64 TYR N N 15 0.409529808988 0.0439962650408 . . . . . . . 26713 3 44 . . 2 2 65 65 LEU N N 15 0.506756061159 0.0465627316546 . . . . . . . 26713 3 45 . . 2 2 66 66 LEU N N 15 0.438662332598 0.0690761041919 . . . . . . . 26713 3 46 . . 2 2 67 67 TYR N N 15 0.379675700493 0.0633102863406 . . . . . . . 26713 3 47 . . 2 2 68 68 TYR N N 15 0.402240067713 0.0346587059211 . . . . . . . 26713 3 48 . . 2 2 69 69 THR N N 15 0.416232624881 0.0393739809838 . . . . . . . 26713 3 49 . . 2 2 70 70 GLU N N 15 0.492682834336 0.0268767373057 . . . . . . . 26713 3 50 . . 2 2 71 71 PHE N N 15 0.495174190619 0.0473237716658 . . . . . . . 26713 3 51 . . 2 2 72 72 THR N N 15 0.487541223162 0.049286544567 . . . . . . . 26713 3 52 . . 2 2 74 74 THR N N 15 0.473665901856 0.0323783596309 . . . . . . . 26713 3 53 . . 2 2 75 75 GLU N N 15 7.55394685422 63.3042352986 . . . . . . . 26713 3 54 . . 2 2 76 76 LYS N N 15 0.538379364634 0.0581630895632 . . . . . . . 26713 3 55 . . 2 2 77 77 ASP N N 15 0.546855122086 0.0226736194879 . . . . . . . 26713 3 56 . . 2 2 79 79 TYR N N 15 0.480403577261 0.0403316149299 . . . . . . . 26713 3 57 . . 2 2 81 81 CYS N N 15 0.482818762634 0.0375328606895 . . . . . . . 26713 3 58 . . 2 2 82 82 ARG N N 15 0.526688323403 0.0496970762083 . . . . . . . 26713 3 59 . . 2 2 83 83 VAL N N 15 0.444460068106 0.0489595418714 . . . . . . . 26713 3 60 . . 2 2 84 84 ASN N N 15 0.439899468844 0.0406113277323 . . . . . . . 26713 3 61 . . 2 2 85 85 HIS N N 15 0.445030402147 0.0260071707167 . . . . . . . 26713 3 62 . . 2 2 86 86 VAL N N 15 0.657242530616 0.0988974123247 . . . . . . . 26713 3 63 . . 2 2 87 87 THR N N 15 0.478158035534 0.0469526908013 . . . . . . . 26713 3 64 . . 2 2 88 88 LEU N N 15 0.485664207879 0.0278021315953 . . . . . . . 26713 3 65 . . 2 2 90 90 GLN N N 15 0.589808726258 0.0166855587767 . . . . . . . 26713 3 66 . . 2 2 92 92 LYS N N 15 0.423327371524 0.0417677237994 . . . . . . . 26713 3 67 . . 2 2 93 93 ILE N N 15 0.575539878418 0.0277023650472 . . . . . . . 26713 3 68 . . 2 2 94 94 VAL N N 15 0.45514024544 0.0494164314205 . . . . . . . 26713 3 69 . . 2 2 95 95 LYS N N 15 0.548913747315 0.0373692973988 . . . . . . . 26713 3 70 . . 2 2 96 96 TRP N N 15 0.452387843715 0.0514650385958 . . . . . . . 26713 3 71 . . 2 2 96 96 TRP NE1 N 15 0.394218997576 0.0468501800637 . . . . . . . 26713 3 72 . . 2 2 97 97 ASP N N 15 0.503365574157 0.0499738384889 . . . . . . . 26713 3 73 . . 2 2 98 98 ARG N N 15 0.350569102576 0.091260416276 . . . . . . . 26713 3 74 . . 2 2 99 99 ASP N N 15 0.575482458963 0.0270879525819 . . . . . . . 26713 3 75 . . 2 2 100 100 MET N N 15 0.491409469534 0.024247358047 . . . . . . . 26713 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 26713 _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 . 26713 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 19.8057930658 1.2706819262 . . . . . . . 26713 4 2 . . 2 2 8 8 ILE N N 15 23.9890083022 3.09177046289 . . . . . . . 26713 4 3 . . 2 2 9 9 GLN N N 15 31.0633008485 3.63711163457 . . . . . . . 26713 4 4 . . 2 2 12 12 SER N N 15 30.3850694905 3.21521347639 . . . . . . . 26713 4 5 . . 2 2 13 13 ARG N N 15 32.6202249789 3.93050129111 . . . . . . . 26713 4 6 . . 2 2 14 14 HIS N N 15 26.7600160571 1.76077025267 . . . . . . . 26713 4 7 . . 2 2 17 17 GLU N N 15 34.5603705876 3.65028619587 . . . . . . . 26713 4 8 . . 2 2 19 19 GLY N N 15 23.1236670553 3.08318694544 . . . . . . . 26713 4 9 . . 2 2 20 20 LYS N N 15 31.360530425 1.2003873265 . . . . . . . 26713 4 10 . . 2 2 23 23 PHE N N 15 28.7661572499 3.12746646065 . . . . . . . 26713 4 11 . . 2 2 25 25 ASN N N 15 27.8649256417 3.32528261128 . . . . . . . 26713 4 12 . . 2 2 26 26 CYS N N 15 32.0191379344 3.11781891082 . . . . . . . 26713 4 13 . . 2 2 27 27 TYR N N 15 21.3208740971 5.30895632683 . . . . . . . 26713 4 14 . . 2 2 29 29 SER N N 15 33.7955690841 3.64157703762 . . . . . . . 26713 4 15 . . 2 2 30 30 GLY N N 15 28.0854009481 2.63194448775 . . . . . . . 26713 4 16 . . 2 2 31 31 PHE N N 15 25.1539496896 1.85141607136 . . . . . . . 26713 4 17 . . 2 2 34 34 SER N N 15 33.4392909018 8.60690046038 . . . . . . . 26713 4 18 . . 2 2 35 35 ASP N N 15 28.5536381215 0.899342057427 . . . . . . . 26713 4 19 . . 2 2 37 37 GLU N N 15 35.6824794315 3.43846984307 . . . . . . . 26713 4 20 . . 2 2 38 38 VAL N N 15 12.2116437879 0.768853891061 . . . . . . . 26713 4 21 . . 2 2 40 40 LEU N N 15 24.95264431 2.32821094153 . . . . . . . 26713 4 22 . . 2 2 41 41 LEU N N 15 28.4017495976 2.9805522839 . . . . . . . 26713 4 23 . . 2 2 43 43 ASN N N 15 25.6722118243 2.81812009152 . . . . . . . 26713 4 24 . . 2 2 44 44 GLY N N 15 28.4319356961 3.77339692295 . . . . . . . 26713 4 25 . . 2 2 45 45 GLU N N 15 31.8773250904 1.24953938932 . . . . . . . 26713 4 26 . . 2 2 46 46 ARG N N 15 31.9954346908 4.27819351484 . . . . . . . 26713 4 27 . . 2 2 47 47 ILE N N 15 26.8173107227 3.36400558974 . . . . . . . 26713 4 28 . . 2 2 48 48 GLU N N 15 32.6253341757 3.41274552198 . . . . . . . 26713 4 29 . . 2 2 49 49 LYS N N 15 22.0156750605 1.12517290954 . . . . . . . 26713 4 30 . . 2 2 51 51 GLU N N 15 35.5264858743 2.74456743556 . . . . . . . 26713 4 31 . . 2 2 52 52 HIS N N 15 28.819419189 1.39491919876 . . . . . . . 26713 4 32 . . 2 2 53 53 SER N N 15 36.5685695779 4.7644864441 . . . . . . . 26713 4 33 . . 2 2 54 54 ASP N N 15 30.9339290666 6.20945333751 . . . . . . . 26713 4 34 . . 2 2 55 55 LEU N N 15 31.0816253585 3.53377186805 . . . . . . . 26713 4 35 . . 2 2 56 56 SER N N 15 28.4370758569 2.68168197904 . . . . . . . 26713 4 36 . . 2 2 57 57 PHE N N 15 27.6568167225 1.46127776636 . . . . . . . 26713 4 37 . . 2 2 58 58 SER N N 15 26.5913529967 2.94804411639 . . . . . . . 26713 4 38 . . 2 2 60 60 ASP N N 15 34.5259279801 2.80005201438 . . . . . . . 26713 4 39 . . 2 2 61 61 TRP N N 15 28.818285964 2.66908655506 . . . . . . . 26713 4 40 . . 2 2 61 61 TRP NE1 N 15 24.3519211995 2.02087250527 . . . . . . . 26713 4 41 . . 2 2 62 62 SER N N 15 38.6883671027 3.96320595734 . . . . . . . 26713 4 42 . . 2 2 63 63 PHE N N 15 16.9679731256 1.84504164907 . . . . . . . 26713 4 43 . . 2 2 64 64 TYR N N 15 37.6752919617 4.53260214921 . . . . . . . 26713 4 44 . . 2 2 65 65 LEU N N 15 28.268147976 3.20687722968 . . . . . . . 26713 4 45 . . 2 2 66 66 LEU N N 15 36.0147354983 4.57000482382 . . . . . . . 26713 4 46 . . 2 2 67 67 TYR N N 15 30.6680071305 5.33987887574 . . . . . . . 26713 4 47 . . 2 2 68 68 TYR N N 15 34.3296752532 3.10757477496 . . . . . . . 26713 4 48 . . 2 2 69 69 THR N N 15 32.4665179555 3.40857165464 . . . . . . . 26713 4 49 . . 2 2 70 70 GLU N N 15 33.0696874315 1.86852213201 . . . . . . . 26713 4 50 . . 2 2 71 71 PHE N N 15 28.2350203563 2.84142436708 . . . . . . . 26713 4 51 . . 2 2 72 72 THR N N 15 32.1819649053 2.78281821367 . . . . . . . 26713 4 52 . . 2 2 74 74 THR N N 15 32.0639124028 2.00308363653 . . . . . . . 26713 4 53 . . 2 2 75 75 GLU N N 15 9.02430672802 386.997220716 . . . . . . . 26713 4 54 . . 2 2 76 76 LYS N N 15 27.8845281348 2.0158333695 . . . . . . . 26713 4 55 . . 2 2 77 77 ASP N N 15 31.1499790948 1.09395574857 . . . . . . . 26713 4 56 . . 2 2 79 79 TYR N N 15 31.7430423139 2.7022704735 . . . . . . . 26713 4 57 . . 2 2 81 81 CYS N N 15 29.9679352478 2.37804045816 . . . . . . . 26713 4 58 . . 2 2 82 82 ARG N N 15 35.5887409805 3.77976145325 . . . . . . . 26713 4 59 . . 2 2 83 83 VAL N N 15 33.5402219607 4.18962954853 . . . . . . . 26713 4 60 . . 2 2 84 84 ASN N N 15 30.8907668595 2.7495882758 . . . . . . . 26713 4 61 . . 2 2 85 85 HIS N N 15 31.7924101272 1.65279374538 . . . . . . . 26713 4 62 . . 2 2 86 86 VAL N N 15 34.2087160662 4.80257189212 . . . . . . . 26713 4 63 . . 2 2 87 87 THR N N 15 29.6941435062 2.64098352374 . . . . . . . 26713 4 64 . . 2 2 88 88 LEU N N 15 36.9077634396 2.12344771503 . . . . . . . 26713 4 65 . . 2 2 90 90 GLN N N 15 28.0529962353 0.717160457756 . . . . . . . 26713 4 66 . . 2 2 92 92 LYS N N 15 29.7172357899 2.73838118294 . . . . . . . 26713 4 67 . . 2 2 93 93 ILE N N 15 28.5272931158 1.26759970166 . . . . . . . 26713 4 68 . . 2 2 94 94 VAL N N 15 35.2585666208 3.55264730131 . . . . . . . 26713 4 69 . . 2 2 95 95 LYS N N 15 31.4315431112 2.25565443378 . . . . . . . 26713 4 70 . . 2 2 96 96 TRP N N 15 32.7760114871 3.4324334621 . . . . . . . 26713 4 71 . . 2 2 96 96 TRP NE1 N 15 26.5088821329 2.65088821329 . . . . . . . 26713 4 72 . . 2 2 97 97 ASP N N 15 33.8275547322 3.5245869778 . . . . . . . 26713 4 73 . . 2 2 98 98 ARG N N 15 22.1673210968 3.96898869196 . . . . . . . 26713 4 74 . . 2 2 99 99 ASP N N 15 29.552407066 1.42561577392 . . . . . . . 26713 4 75 . . 2 2 100 100 MET N N 15 26.2511008427 1.11566880477 . . . . . . . 26713 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 26713 _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 . 26713 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 0.573073860466 0.0117149034255 . . . . . . . 26713 5 2 . . 1 1 203 203 HIS N N 15 0.58614502881 0.0117089806021 . . . . . . . 26713 5 3 . . 1 1 206 206 HIS N N 15 0.751267199959 0.00533167336149 . . . . . . . 26713 5 4 . . 1 1 207 207 HIS N N 15 0.710340907346 0.00489250800621 . . . . . . . 26713 5 5 . . 1 1 209 209 ILE N N 15 0.777537918639 0.00812798674668 . . . . . . . 26713 5 6 . . 1 1 210 210 SER N N 15 0.956121779255 0.00731352843714 . . . . . . . 26713 5 7 . . 1 1 212 212 HIS N N 15 0.803997342018 0.0281298528966 . . . . . . . 26713 5 8 . . 1 1 213 213 GLU N N 15 0.847881871844 0.00603098976704 . . . . . . . 26713 5 9 . . 1 1 214 214 ALA N N 15 0.792740892775 0.00534447568927 . . . . . . . 26713 5 10 . . 1 1 215 215 THR N N 15 0.674106330444 0.00685598832804 . . . . . . . 26713 5 11 . . 1 1 216 216 LEU N N 15 0.778251427391 0.00598168222019 . . . . . . . 26713 5 12 . . 1 1 218 218 CYS N N 15 0.645407792264 0.0126743077593 . . . . . . . 26713 5 13 . . 1 1 219 219 TRP N N 15 0.544040412631 0.0121698500461 . . . . . . . 26713 5 14 . . 1 1 220 220 ALA N N 15 0.580437605576 0.011470832117 . . . . . . . 26713 5 15 . . 1 1 222 222 GLY N N 15 0.597773607236 0.0101067222996 . . . . . . . 26713 5 16 . . 1 1 223 223 PHE N N 15 0.817097979209 0.0107661843688 . . . . . . . 26713 5 17 . . 1 1 228 228 ILE N N 15 0.614512116609 0.00841861356439 . . . . . . . 26713 5 18 . . 1 1 229 229 THR N N 15 0.819768064947 0.00918431143665 . . . . . . . 26713 5 19 . . 1 1 231 231 THR N N 15 0.621927502141 0.0108558871781 . . . . . . . 26713 5 20 . . 1 1 232 232 TRP N N 15 0.662616414855 0.00822988206547 . . . . . . . 26713 5 21 . . 1 1 233 233 GLN N N 15 0.772775009891 0.00618300983894 . . . . . . . 26713 5 22 . . 1 1 234 234 ARG N N 15 0.807733721151 0.00592497230308 . . . . . . . 26713 5 23 . . 1 1 235 235 ASP N N 15 0.840864490075 0.00814728107629 . . . . . . . 26713 5 24 . . 1 1 236 236 GLY N N 15 0.822236625298 0.0130657813847 . . . . . . . 26713 5 25 . . 1 1 237 237 GLU N N 15 0.87135877145 0.00480125910359 . . . . . . . 26713 5 26 . . 1 1 242 242 ASP N N 15 0.713525270606 0.0178735890414 . . . . . . . 26713 5 27 . . 1 1 243 243 THR N N 15 0.652869665097 0.0103150768442 . . . . . . . 26713 5 28 . . 1 1 244 244 GLU N N 15 0.60085016833 0.011091400955 . . . . . . . 26713 5 29 . . 1 1 245 245 LEU N N 15 0.6072278646 0.00802248957102 . . . . . . . 26713 5 30 . . 1 1 246 246 VAL N N 15 0.578609667131 0.00987564031796 . . . . . . . 26713 5 31 . . 1 1 247 247 GLU N N 15 0.66271486773 0.00828929718227 . . . . . . . 26713 5 32 . . 1 1 249 249 ARG N N 15 0.634893762601 0.0147987161134 . . . . . . . 26713 5 33 . . 1 1 251 251 ALA N N 15 0.622177571883 0.0135465540758 . . . . . . . 26713 5 34 . . 1 1 252 252 GLY N N 15 0.690221969318 0.0278946608983 . . . . . . . 26713 5 35 . . 1 1 253 253 ASP N N 15 0.648512746129 0.0252845663559 . . . . . . . 26713 5 36 . . 1 1 254 254 ARG N N 15 0.615668887064 0.0205224562046 . . . . . . . 26713 5 37 . . 1 1 255 255 THR N N 15 0.777013613707 0.0278218430047 . . . . . . . 26713 5 38 . . 1 1 257 257 GLN N N 15 0.565377680836 0.0103780306892 . . . . . . . 26713 5 39 . . 1 1 259 259 TRP N N 15 0.522858982422 0.0110940461869 . . . . . . . 26713 5 40 . . 1 1 261 261 ALA N N 15 0.572671269284 0.014422963952 . . . . . . . 26713 5 41 . . 1 1 263 263 VAL N N 15 0.732229289375 0.00537826685984 . . . . . . . 26713 5 42 . . 1 1 267 267 GLY N N 15 0.782880707112 0.00512826287033 . . . . . . . 26713 5 43 . . 1 1 269 269 GLU N N 15 0.788957261824 0.00715025446925 . . . . . . . 26713 5 44 . . 1 1 270 270 GLN N N 15 0.804963366675 0.00737909487893 . . . . . . . 26713 5 45 . . 1 1 271 271 ARG N N 15 0.851757006908 0.00665674177166 . . . . . . . 26713 5 46 . . 1 1 272 272 TYR N N 15 0.84620358241 0.00589110562634 . . . . . . . 26713 5 47 . . 1 1 273 273 THR N N 15 0.796791673806 0.0057530140772 . . . . . . . 26713 5 48 . . 1 1 274 274 CYS N N 15 0.762019402854 0.00761131294729 . . . . . . . 26713 5 49 . . 1 1 275 275 HIS N N 15 0.79809771674 0.0068832480039 . . . . . . . 26713 5 50 . . 1 1 276 276 VAL N N 15 0.755080376611 0.00782723456023 . . . . . . . 26713 5 51 . . 1 1 277 277 GLN N N 15 0.771601590449 0.00564753076768 . . . . . . . 26713 5 52 . . 1 1 278 278 HIS N N 15 0.610800614157 0.00898645767406 . . . . . . . 26713 5 53 . . 1 1 279 279 GLU N N 15 0.655639886532 0.0107817959805 . . . . . . . 26713 5 54 . . 1 1 280 280 GLY N N 15 0.618749226935 0.0185652957198 . . . . . . . 26713 5 55 . . 1 1 281 281 LEU N N 15 0.858412777425 0.00621580304356 . . . . . . . 26713 5 56 . . 1 1 285 285 LEU N N 15 0.872635881051 0.011295653848 . . . . . . . 26713 5 57 . . 1 1 287 287 LEU N N 15 0.882833485231 0.00571476745043 . . . . . . . 26713 5 58 . . 1 1 288 288 ARG N N 15 0.77463794811 0.00378295621955 . . . . . . . 26713 5 59 . . 1 1 289 289 TRP N N 15 0.813965662961 0.00471874033434 . . . . . . . 26713 5 60 . . 1 1 290 290 GLU N N 15 0.786483807315 0.00294502630594 . . . . . . . 26713 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 26713 _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 . 26713 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 26.7538446126 0.791779057618 . . . . . . . 26713 6 2 . . 1 1 203 203 HIS N N 15 25.0613795686 0.661169097812 . . . . . . . 26713 6 3 . . 1 1 206 206 HIS N N 15 20.5568313624 0.201336425074 . . . . . . . 26713 6 4 . . 1 1 207 207 HIS N N 15 . . . . . . . . . 26713 6 5 . . 1 1 209 209 ILE N N 15 20.9980735176 0.270189555079 . . . . . . . 26713 6 6 . . 1 1 210 210 SER N N 15 16.5124906622 0.163530097484 . . . . . . . 26713 6 7 . . 1 1 212 212 HIS N N 15 17.1025774637 0.828823785488 . . . . . . . 26713 6 8 . . 1 1 213 213 GLU N N 15 19.1662401836 0.185707297732 . . . . . . . 26713 6 9 . . 1 1 214 214 ALA N N 15 20.1380884588 0.192741940367 . . . . . . . 26713 6 10 . . 1 1 215 215 THR N N 15 24.7638427604 0.356136929737 . . . . . . . 26713 6 11 . . 1 1 216 216 LEU N N 15 20.4212430794 0.229735147831 . . . . . . . 26713 6 12 . . 1 1 218 218 CYS N N 15 25.1105296609 0.694731071821 . . . . . . . 26713 6 13 . . 1 1 219 219 TRP N N 15 28.8283651876 0.923670071893 . . . . . . . 26713 6 14 . . 1 1 220 220 ALA N N 15 27.1361205339 0.783988764029 . . . . . . . 26713 6 15 . . 1 1 222 222 GLY N N 15 21.9044588699 0.454083696611 . . . . . . . 26713 6 16 . . 1 1 223 223 PHE N N 15 22.8410952818 0.420839461355 . . . . . . . 26713 6 17 . . 1 1 228 228 ILE N N 15 25.8316073222 0.466128911605 . . . . . . . 26713 6 18 . . 1 1 229 229 THR N N 15 12.9790248817 0.20447520592 . . . . . . . 26713 6 19 . . 1 1 231 231 THR N N 15 25.4700910157 0.581925925608 . . . . . . . 26713 6 20 . . 1 1 232 232 TRP N N 15 26.5318201079 0.428612245429 . . . . . . . 26713 6 21 . . 1 1 233 233 GLN N N 15 19.5932060228 0.20369417736 . . . . . . . 26713 6 22 . . 1 1 234 234 ARG N N 15 20.7306567075 0.197108866989 . . . . . . . 26713 6 23 . . 1 1 235 235 ASP N N 15 20.4078416005 0.255907033793 . . . . . . . 26713 6 24 . . 1 1 236 236 GLY N N 15 21.869732584 0.445398901192 . . . . . . . 26713 6 25 . . 1 1 237 237 GLU N N 15 19.3167175377 0.1492609985 . . . . . . . 26713 6 26 . . 1 1 242 242 ASP N N 15 24.5822871783 0.725733351568 . . . . . . . 26713 6 27 . . 1 1 243 243 THR N N 15 22.116242575 0.475315172748 . . . . . . . 26713 6 28 . . 1 1 244 244 GLU N N 15 26.2992005084 0.689836575612 . . . . . . . 26713 6 29 . . 1 1 245 245 LEU N N 15 23.933878513 0.423921986688 . . . . . . . 26713 6 30 . . 1 1 246 246 VAL N N 15 24.3656868585 0.507393769016 . . . . . . . 26713 6 31 . . 1 1 247 247 GLU N N 15 22.1001115661 0.37378427741 . . . . . . . 26713 6 32 . . 1 1 249 249 ARG N N 15 31.339569561 1.04129425468 . . . . . . . 26713 6 33 . . 1 1 251 251 ALA N N 15 27.2434446829 0.785687122464 . . . . . . . 26713 6 34 . . 1 1 252 252 GLY N N 15 27.6075540324 1.50651775775 . . . . . . . 26713 6 35 . . 1 1 253 253 ASP N N 15 32.2391562621 1.7473889839 . . . . . . . 26713 6 36 . . 1 1 254 254 ARG N N 15 24.3086430964 1.17872690195 . . . . . . . 26713 6 37 . . 1 1 255 255 THR N N 15 21.068177415 1.2116124273 . . . . . . . 26713 6 38 . . 1 1 257 257 GLN N N 15 28.2949436643 0.700448126941 . . . . . . . 26713 6 39 . . 1 1 259 259 TRP N N 15 27.3579976616 0.765198000172 . . . . . . . 26713 6 40 . . 1 1 261 261 ALA N N 15 27.6152455533 0.962591850999 . . . . . . . 26713 6 41 . . 1 1 263 263 VAL N N 15 20.8216484176 0.194651339635 . . . . . . . 26713 6 42 . . 1 1 267 267 GLY N N 15 19.2338024093 0.176392243106 . . . . . . . 26713 6 43 . . 1 1 269 269 GLU N N 15 19.9431178714 0.246549581618 . . . . . . . 26713 6 44 . . 1 1 270 270 GLN N N 15 20.5514282297 0.251727698918 . . . . . . . 26713 6 45 . . 1 1 271 271 ARG N N 15 20.9983027253 0.210461615815 . . . . . . . 26713 6 46 . . 1 1 272 272 TYR N N 15 20.4280800438 0.204750319772 . . . . . . . 26713 6 47 . . 1 1 273 273 THR N N 15 19.7900551557 0.194279236281 . . . . . . . 26713 6 48 . . 1 1 274 274 CYS N N 15 23.1147643011 0.329025428961 . . . . . . . 26713 6 49 . . 1 1 275 275 HIS N N 15 20.9101544139 0.238576093531 . . . . . . . 26713 6 50 . . 1 1 276 276 VAL N N 15 22.1468941813 0.31453012162 . . . . . . . 26713 6 51 . . 1 1 277 277 GLN N N 15 20.9428131416 0.201537441075 . . . . . . . 26713 6 52 . . 1 1 278 278 HIS N N 15 23.9440986943 0.45936045822 . . . . . . . 26713 6 53 . . 1 1 279 279 GLU N N 15 21.2452617004 0.458848691295 . . . . . . . 26713 6 54 . . 1 1 280 280 GLY N N 15 25.5171336715 1.0243486724 . . . . . . . 26713 6 55 . . 1 1 281 281 LEU N N 15 18.055436821 0.175516443171 . . . . . . . 26713 6 56 . . 1 1 285 285 LEU N N 15 . . . . . . . . . 26713 6 57 . . 1 1 287 287 LEU N N 15 19.282859378 0.161576020174 . . . . . . . 26713 6 58 . . 1 1 288 288 ARG N N 15 18.8914743365 0.123423764541 . . . . . . . 26713 6 59 . . 1 1 289 289 TRP N N 15 18.7119903233 0.145189595748 . . . . . . . 26713 6 60 . . 1 1 290 290 GLU N N 15 16.6065421681 0.0795753113073 . . . . . . . 26713 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 26713 _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 . 26713 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 0.414054323641 0.0129003276065 . . . . . . . 26713 7 2 . . 1 1 203 203 HIS N N 15 0.468378930472 0.0139685310804 . . . . . . . 26713 7 3 . . 1 1 206 206 HIS N N 15 0.879206412718 1.2586521693 . . . . . . . 26713 7 4 . . 1 1 207 207 HIS N N 15 0.45164441251 0.00689515591123 . . . . . . . 26713 7 5 . . 1 1 209 209 ILE N N 15 0.512401821218 0.0134204423199 . . . . . . . 26713 7 6 . . 1 1 210 210 SER N N 15 0.79153363347 0.0161015072504 . . . . . . . 26713 7 7 . . 1 1 212 212 HIS N N 15 0.483830611772 0.0768300397231 . . . . . . . 26713 7 8 . . 1 1 213 213 GLU N N 15 0.591709853792 0.00942903988053 . . . . . . . 26713 7 9 . . 1 1 214 214 ALA N N 15 0.546236185474 0.0100956202029 . . . . . . . 26713 7 10 . . 1 1 215 215 THR N N 15 0.437651178971 0.0089857041074 . . . . . . . 26713 7 11 . . 1 1 216 216 LEU N N 15 0.514323310867 0.0108527263833 . . . . . . . 26713 7 12 . . 1 1 218 218 CYS N N 15 0.452470333235 0.0180632222892 . . . . . . . 26713 7 13 . . 1 1 219 219 TRP N N 15 0.418917778003 0.0118036645533 . . . . . . . 26713 7 14 . . 1 1 220 220 ALA N N 15 0.423334448814 0.0115484762941 . . . . . . . 26713 7 15 . . 1 1 222 222 GLY N N 15 0.433068512805 0.0129071993222 . . . . . . . 26713 7 16 . . 1 1 223 223 PHE N N 15 0.515998920906 0.011776125145 . . . . . . . 26713 7 17 . . 1 1 228 228 ILE N N 15 0.490611796042 0.00870570458097 . . . . . . . 26713 7 18 . . 1 1 229 229 THR N N 15 0.552854346968 0.00955671746413 . . . . . . . 26713 7 19 . . 1 1 231 231 THR N N 15 0.467922297332 0.0105842183517 . . . . . . . 26713 7 20 . . 1 1 232 232 TRP N N 15 0.481931155265 0.00983085007969 . . . . . . . 26713 7 21 . . 1 1 233 233 GLN N N 15 0.495494220739 0.011661346886 . . . . . . . 26713 7 22 . . 1 1 234 234 ARG N N 15 0.53155182427 0.0100491873056 . . . . . . . 26713 7 23 . . 1 1 235 235 ASP N N 15 0.567688615852 0.0170859513461 . . . . . . . 26713 7 24 . . 1 1 236 236 GLY N N 15 0.569863811437 0.0370535611381 . . . . . . . 26713 7 25 . . 1 1 237 237 GLU N N 15 0.639403007101 0.0106255897898 . . . . . . . 26713 7 26 . . 1 1 242 242 ASP N N 15 0.532551870114 0.030249105986 . . . . . . . 26713 7 27 . . 1 1 243 243 THR N N 15 0.526602101383 0.0116067582324 . . . . . . . 26713 7 28 . . 1 1 244 244 GLU N N 15 0.48787809608 0.0137560043673 . . . . . . . 26713 7 29 . . 1 1 245 245 LEU N N 15 0.501790479156 0.00934931841559 . . . . . . . 26713 7 30 . . 1 1 246 246 VAL N N 15 0.470324168135 0.0100778095711 . . . . . . . 26713 7 31 . . 1 1 247 247 GLU N N 15 0.508916443197 0.00995321955114 . . . . . . . 26713 7 32 . . 1 1 249 249 ARG N N 15 0.447664981088 0.0157314076073 . . . . . . . 26713 7 33 . . 1 1 251 251 ALA N N 15 0.504243611971 0.0156314916777 . . . . . . . 26713 7 34 . . 1 1 252 252 GLY N N 15 0.496967443986 0.0282513479859 . . . . . . . 26713 7 35 . . 1 1 253 253 ASP N N 15 0.523329499865 0.0191947348256 . . . . . . . 26713 7 36 . . 1 1 254 254 ARG N N 15 0.51040216977 0.0197686885624 . . . . . . . 26713 7 37 . . 1 1 255 255 THR N N 15 0.658255370428 0.0279756475985 . . . . . . . 26713 7 38 . . 1 1 257 257 GLN N N 15 0.415617912071 0.0106767711353 . . . . . . . 26713 7 39 . . 1 1 259 259 TRP N N 15 0.435556832837 0.0122887158575 . . . . . . . 26713 7 40 . . 1 1 261 261 ALA N N 15 0.391177128598 0.0220080962292 . . . . . . . 26713 7 41 . . 1 1 263 263 VAL N N 15 0.461363666624 0.00883292965624 . . . . . . . 26713 7 42 . . 1 1 267 267 GLY N N 15 0.589294720493 0.00944200399922 . . . . . . . 26713 7 43 . . 1 1 269 269 GLU N N 15 0.551015216494 0.0149386912533 . . . . . . . 26713 7 44 . . 1 1 270 270 GLN N N 15 0.535295610615 0.0158905811102 . . . . . . . 26713 7 45 . . 1 1 271 271 ARG N N 15 0.58332626755 0.0112735066839 . . . . . . . 26713 7 46 . . 1 1 272 272 TYR N N 15 0.545094055515 0.0107284977515 . . . . . . . 26713 7 47 . . 1 1 273 273 THR N N 15 0.548449432677 0.0104157084665 . . . . . . . 26713 7 48 . . 1 1 274 274 CYS N N 15 0.477287364171 0.0139144914458 . . . . . . . 26713 7 49 . . 1 1 275 275 HIS N N 15 0.522411430223 0.0123035029745 . . . . . . . 26713 7 50 . . 1 1 276 276 VAL N N 15 0.487459215702 0.0129155033159 . . . . . . . 26713 7 51 . . 1 1 277 277 GLN N N 15 0.520576782702 0.0104910955249 . . . . . . . 26713 7 52 . . 1 1 278 278 HIS N N 15 0.46798984941 0.00923083659513 . . . . . . . 26713 7 53 . . 1 1 279 279 GLU N N 15 0.528013990632 0.0133234047838 . . . . . . . 26713 7 54 . . 1 1 280 280 GLY N N 15 0.478707863549 0.024305549404 . . . . . . . 26713 7 55 . . 1 1 281 281 LEU N N 15 0.558837281562 0.0104076352073 . . . . . . . 26713 7 56 . . 1 1 285 285 LEU N N 15 0.45164441251 0.00691189971052 . . . . . . . 26713 7 57 . . 1 1 287 287 LEU N N 15 0.52454104216 0.0142570176631 . . . . . . . 26713 7 58 . . 1 1 288 288 ARG N N 15 0.55167119147 0.00623774768361 . . . . . . . 26713 7 59 . . 1 1 289 289 TRP N N 15 0.59903851944 0.00865483993645 . . . . . . . 26713 7 60 . . 1 1 290 290 GLU N N 15 0.649780524772 0.00552444714927 . . . . . . . 26713 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 26713 _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 . 26713 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 28.2598014392 1.34991911941 . . . . . . . 26713 8 2 . . 1 1 203 203 HIS N N 15 25.296886427 0.987624149062 . . . . . . . 26713 8 3 . . 1 1 206 206 HIS N N 15 22.7860749066 0.287032004148 . . . . . . . 26713 8 4 . . 1 1 207 207 HIS N N 15 . . . . . . . . . 26713 8 5 . . 1 1 209 209 ILE N N 15 22.9893472245 0.350284982206 . . . . . . . 26713 8 6 . . 1 1 210 210 SER N N 15 18.2380336108 0.183746540306 . . . . . . . 26713 8 7 . . 1 1 212 212 HIS N N 15 21.2819966972 0.822510192002 . . . . . . . 26713 8 8 . . 1 1 213 213 GLU N N 15 21.4045712978 0.193680929818 . . . . . . . 26713 8 9 . . 1 1 214 214 ALA N N 15 22.3897014601 0.283812131512 . . . . . . . 26713 8 10 . . 1 1 215 215 THR N N 15 28.9563099799 0.478636111163 . . . . . . . 26713 8 11 . . 1 1 216 216 LEU N N 15 24.6192156307 0.438420119446 . . . . . . . 26713 8 12 . . 1 1 218 218 CYS N N 15 28.8945738426 1.53579141485 . . . . . . . 26713 8 13 . . 1 1 219 219 TRP N N 15 32.7217641346 1.54119741579 . . . . . . . 26713 8 14 . . 1 1 220 220 ALA N N 15 27.9495161639 1.2549980122 . . . . . . . 26713 8 15 . . 1 1 222 222 GLY N N 15 25.5093562199 0.740622227529 . . . . . . . 26713 8 16 . . 1 1 223 223 PHE N N 15 22.5667043284 0.605369627635 . . . . . . . 26713 8 17 . . 1 1 228 228 ILE N N 15 29.0870508307 0.717867295869 . . . . . . . 26713 8 18 . . 1 1 229 229 THR N N 15 14.2834552122 0.317028444427 . . . . . . . 26713 8 19 . . 1 1 231 231 THR N N 15 27.8301914224 0.79462589122 . . . . . . . 26713 8 20 . . 1 1 232 232 TRP N N 15 31.3408439788 0.644607667802 . . . . . . . 26713 8 21 . . 1 1 233 233 GLN N N 15 22.1199932726 0.278072098516 . . . . . . . 26713 8 22 . . 1 1 234 234 ARG N N 15 21.9237054205 0.209291506718 . . . . . . . 26713 8 23 . . 1 1 235 235 ASP N N 15 23.3350777171 0.266233570797 . . . . . . . 26713 8 24 . . 1 1 236 236 GLY N N 15 22.6684059317 0.378985355734 . . . . . . . 26713 8 25 . . 1 1 237 237 GLU N N 15 22.8711213196 0.185702495724 . . . . . . . 26713 8 26 . . 1 1 242 242 ASP N N 15 27.091927531 0.843916864258 . . . . . . . 26713 8 27 . . 1 1 243 243 THR N N 15 25.3537212349 0.527629486469 . . . . . . . 26713 8 28 . . 1 1 244 244 GLU N N 15 32.6508792959 1.40389246592 . . . . . . . 26713 8 29 . . 1 1 245 245 LEU N N 15 27.6882194245 0.651489807423 . . . . . . . 26713 8 30 . . 1 1 246 246 VAL N N 15 26.7594821558 0.795440136403 . . . . . . . 26713 8 31 . . 1 1 247 247 GLU N N 15 27.621049197 0.592153797126 . . . . . . . 26713 8 32 . . 1 1 249 249 ARG N N 15 35.6500049633 1.83889969961 . . . . . . . 26713 8 33 . . 1 1 251 251 ALA N N 15 28.5892339727 1.11045223346 . . . . . . . 26713 8 34 . . 1 1 252 252 GLY N N 15 25.8945164903 1.54701186394 . . . . . . . 26713 8 35 . . 1 1 253 253 ASP N N 15 32.2135561484 1.474129859 . . . . . . . 26713 8 36 . . 1 1 254 254 ARG N N 15 26.3487197963 2.00855685105 . . . . . . . 26713 8 37 . . 1 1 255 255 THR N N 15 24.3309030393 1.43724627109 . . . . . . . 26713 8 38 . . 1 1 257 257 GLN N N 15 31.9537285145 1.12096851997 . . . . . . . 26713 8 39 . . 1 1 259 259 TRP N N 15 30.7836601523 1.21915845599 . . . . . . . 26713 8 40 . . 1 1 261 261 ALA N N 15 29.3795317913 2.06428927308 . . . . . . . 26713 8 41 . . 1 1 263 263 VAL N N 15 22.2712908058 0.333134203384 . . . . . . . 26713 8 42 . . 1 1 267 267 GLY N N 15 21.8649688652 0.218604644235 . . . . . . . 26713 8 43 . . 1 1 269 269 GLU N N 15 23.3823649419 0.35713199151 . . . . . . . 26713 8 44 . . 1 1 270 270 GLN N N 15 23.326274781 0.262435073674 . . . . . . . 26713 8 45 . . 1 1 271 271 ARG N N 15 22.8870297759 0.272895971256 . . . . . . . 26713 8 46 . . 1 1 272 272 TYR N N 15 25.5992669339 0.327198055699 . . . . . . . 26713 8 47 . . 1 1 273 273 THR N N 15 22.632713153 0.24958628214 . . . . . . . 26713 8 48 . . 1 1 274 274 CYS N N 15 26.1297613533 0.573855515197 . . . . . . . 26713 8 49 . . 1 1 275 275 HIS N N 15 24.2193839308 0.384388399429 . . . . . . . 26713 8 50 . . 1 1 276 276 VAL N N 15 23.8966099686 0.52019034309 . . . . . . . 26713 8 51 . . 1 1 277 277 GLN N N 15 22.9440975109 0.297123769915 . . . . . . . 26713 8 52 . . 1 1 278 278 HIS N N 15 27.3244334422 0.745135873062 . . . . . . . 26713 8 53 . . 1 1 279 279 GLU N N 15 24.271163279 0.64411267801 . . . . . . . 26713 8 54 . . 1 1 280 280 GLY N N 15 34.5300068923 2.53242915072 . . . . . . . 26713 8 55 . . 1 1 281 281 LEU N N 15 21.2168309017 0.290033119865 . . . . . . . 26713 8 56 . . 1 1 285 285 LEU N N 15 . . . . . . . . . 26713 8 57 . . 1 1 287 287 LEU N N 15 22.3633091111 0.305147888644 . . . . . . . 26713 8 58 . . 1 1 288 288 ARG N N 15 21.9993012277 0.174145982556 . . . . . . . 26713 8 59 . . 1 1 289 289 TRP N N 15 20.7792028545 0.156991069265 . . . . . . . 26713 8 60 . . 1 1 290 290 GLU N N 15 17.7784562008 0.106018305627 . . . . . . . 26713 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 26713 _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 . 26713 9 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 17 17 SER N N 15 0.744011426758 0.0133933089512 . . . . . . . 26713 9 2 . . 1 1 19 19 SER N N 15 0.593731531393 0.0124684988721 . . . . . . . 26713 9 3 . . 1 1 20 20 MET N N 15 0.59646416704 0.0220918039745 . . . . . . . 26713 9 4 . . 1 1 21 21 ARG N N 15 0.684558968606 0.0347203827788 . . . . . . . 26713 9 5 . . 1 1 22 22 TYR N N 15 0.551751800487 0.0186142098969 . . . . . . . 26713 9 6 . . 1 1 23 23 PHE N N 15 0.612643972568 0.0145906745884 . . . . . . . 26713 9 7 . . 1 1 26 26 SER N N 15 0.615487229727 0.0218027852671 . . . . . . . 26713 9 8 . . 1 1 27 27 VAL N N 15 0.622585725779 0.0137239330128 . . . . . . . 26713 9 9 . . 1 1 28 28 SER N N 15 0.652083418043 0.0175739173533 . . . . . . . 26713 9 10 . . 1 1 31 31 GLY N N 15 0.683350925745 0.123032998933 . . . . . . . 26713 9 11 . . 1 1 33 33 GLY N N 15 0.679441267914 0.0378721821189 . . . . . . . 26713 9 12 . . 1 1 34 34 GLU N N 15 0.832078928952 0.0220520746204 . . . . . . . 26713 9 13 . . 1 1 36 36 ARG N N 15 0.650528661409 0.0131299660839 . . . . . . . 26713 9 14 . . 1 1 37 37 PHE N N 15 0.661192256921 0.0132436665897 . . . . . . . 26713 9 15 . . 1 1 38 38 ILE N N 15 0.651789253639 0.0140952086464 . . . . . . . 26713 9 16 . . 1 1 41 41 GLY N N 15 0.637647068013 0.0183500370988 . . . . . . . 26713 9 17 . . 1 1 42 42 TYR N N 15 0.551456378465 0.012009271669 . . . . . . . 26713 9 18 . . 1 1 44 44 ASP N N 15 0.543586780642 0.0112234906213 . . . . . . . 26713 9 19 . . 1 1 45 45 ASP N N 15 0.573912766747 0.0158523943852 . . . . . . . 26713 9 20 . . 1 1 46 46 THR N N 15 0.601704647853 0.0181566919842 . . . . . . . 26713 9 21 . . 1 1 47 47 LEU N N 15 0.555774877139 0.00996738540293 . . . . . . . 26713 9 22 . . 1 1 49 49 VAL N N 15 0.596814950772 0.0495101260391 . . . . . . . 26713 9 23 . . 1 1 50 50 ARG N N 15 0.766558310883 0.0134147258889 . . . . . . . 26713 9 24 . . 1 1 52 52 ASP N N 15 0.615508860747 0.0103542227714 . . . . . . . 26713 9 25 . . 1 1 53 53 SER N N 15 0.607057177956 0.0141181670746 . . . . . . . 26713 9 26 . . 1 1 54 54 ASP N N 15 0.612416420174 0.0165272299319 . . . . . . . 26713 9 27 . . 1 1 55 55 ALA N N 15 0.666594701442 0.00833229695885 . . . . . . . 26713 9 28 . . 1 1 56 56 ALA N N 15 1.22033449958 0.0149286592366 . . . . . . . 26713 9 29 . . 1 1 57 57 SER N N 15 0.620804811522 0.049790218642 . . . . . . . 26713 9 30 . . 1 1 63 63 ARG N N 15 0.628720760908 0.0326688458319 . . . . . . . 26713 9 31 . . 1 1 64 64 ALA N N 15 0.493688951169 0.0201638411143 . . . . . . . 26713 9 32 . . 1 1 66 66 TRP N N 15 0.647773366261 0.0240228923423 . . . . . . . 26713 9 33 . . 1 1 67 67 ILE N N 15 0.59795038095 0.0287331794348 . . . . . . . 26713 9 34 . . 1 1 71 71 GLY N N 15 0.678844411051 0.0117890760537 . . . . . . . 26713 9 35 . . 1 1 73 73 GLU N N 15 0.629468753562 0.0236816686929 . . . . . . . 26713 9 36 . . 1 1 74 74 TYR N N 15 0.658190200165 0.0146626921008 . . . . . . . 26713 9 37 . . 1 1 78 78 GLU N N 15 0.751700358654 0.00575751884831 . . . . . . . 26713 9 38 . . 1 1 80 80 GLN N N 15 0.965077661475 0.0153660357205 . . . . . . . 26713 9 39 . . 1 1 83 83 LYS N N 15 0.62437351818 0.0319788085795 . . . . . . . 26713 9 40 . . 1 1 86 86 ALA N N 15 0.687817303875 0.0261374665274 . . . . . . . 26713 9 41 . . 1 1 89 89 ASP N N 15 0.696995423537 0.0327187795947 . . . . . . . 26713 9 42 . . 1 1 90 90 ARG N N 15 0.653906308208 0.0171739254428 . . . . . . . 26713 9 43 . . 1 1 91 91 GLU N N 15 0.625323516705 0.0256029736673 . . . . . . . 26713 9 44 . . 1 1 93 93 LEU N N 15 1.12917305106 0.0140172796099 . . . . . . . 26713 9 45 . . 1 1 94 94 ARG N N 15 0.693888470385 0.0271333372138 . . . . . . . 26713 9 46 . . 1 1 99 99 TYR N N 15 0.646692179117 0.014488944973 . . . . . . . 26713 9 47 . . 1 1 100 100 TYR N N 15 0.605745548057 0.0161386655514 . . . . . . . 26713 9 48 . . 1 1 102 102 GLN N N 15 0.608833666273 0.0120940126847 . . . . . . . 26713 9 49 . . 1 1 106 106 GLY N N 15 0.61298775622 0.0948049882302 . . . . . . . 26713 9 50 . . 1 1 107 107 SER N N 15 0.541680557638 0.0312932976474 . . . . . . . 26713 9 51 . . 1 1 108 108 HIS N N 15 0.662971625628 0.0151353295738 . . . . . . . 26713 9 52 . . 1 1 109 109 THR N N 15 0.631100280356 0.0139009025572 . . . . . . . 26713 9 53 . . 1 1 110 110 LEU N N 15 0.685898070032 0.0291811382096 . . . . . . . 26713 9 54 . . 1 1 111 111 GLN N N 15 0.658044016953 0.0249010279994 . . . . . . . 26713 9 55 . . 1 1 112 112 ASN N N 15 0.580524689535 0.0375677966162 . . . . . . . 26713 9 56 . . 1 1 113 113 MET N N 15 0.713291757141 0.0505972390511 . . . . . . . 26713 9 57 . . 1 1 114 114 TYR N N 15 0.663511247248 0.0152364939154 . . . . . . . 26713 9 58 . . 1 1 115 115 GLY N N 15 0.620326544808 0.031337013401 . . . . . . . 26713 9 59 . . 1 1 116 116 CYS N N 15 0.679431860257 0.0251525499764 . . . . . . . 26713 9 60 . . 1 1 117 117 ASP N N 15 0.592375108642 0.0177338503609 . . . . . . . 26713 9 61 . . 1 1 118 118 VAL N N 15 0.594967492481 0.0161064562337 . . . . . . . 26713 9 62 . . 1 1 119 119 GLY N N 15 0.587164382738 0.0116508540224 . . . . . . . 26713 9 63 . . 1 1 121 121 ASP N N 15 0.696356044387 0.015548297231 . . . . . . . 26713 9 64 . . 1 1 122 122 GLY N N 15 0.604074023192 0.013537276616 . . . . . . . 26713 9 65 . . 1 1 125 125 LEU N N 15 0.645623392435 0.0240768204367 . . . . . . . 26713 9 66 . . 1 1 127 127 GLY N N 15 0.644507545435 0.0213453943551 . . . . . . . 26713 9 67 . . 1 1 130 130 GLN N N 15 0.769161567259 0.0582722255734 . . . . . . . 26713 9 68 . . 1 1 131 131 HIS N N 15 0.646477452735 0.0439204767351 . . . . . . . 26713 9 69 . . 1 1 133 133 TYR N N 15 0.64162289587 0.0149353608387 . . . . . . . 26713 9 70 . . 1 1 134 134 ASP N N 15 0.647528994961 0.0237355861759 . . . . . . . 26713 9 71 . . 1 1 135 135 GLY N N 15 0.664730078869 0.0777283757966 . . . . . . . 26713 9 72 . . 1 1 138 138 TYR N N 15 0.642328401614 0.0267197060462 . . . . . . . 26713 9 73 . . 1 1 139 139 ILE N N 15 0.647057130824 0.0353640349743 . . . . . . . 26713 9 74 . . 1 1 140 140 ALA N N 15 0.6068605994 0.0335168752638 . . . . . . . 26713 9 75 . . 1 1 141 141 LEU N N 15 0.650768406324 0.0252429409552 . . . . . . . 26713 9 76 . . 1 1 142 142 ASN N N 15 0.553919753782 0.0125531083358 . . . . . . . 26713 9 77 . . 1 1 143 143 GLU N N 15 0.613911968915 0.0243455213367 . . . . . . . 26713 9 78 . . 1 1 144 144 ASP N N 15 0.670548472566 0.0132997582953 . . . . . . . 26713 9 79 . . 1 1 145 145 LEU N N 15 0.599269816612 0.0138804673846 . . . . . . . 26713 9 80 . . 1 1 146 146 SER N N 15 0.581275782891 0.0202134963428 . . . . . . . 26713 9 81 . . 1 1 147 147 SER N N 15 0.551104394009 0.032275103118 . . . . . . . 26713 9 82 . . 1 1 148 148 TRP N N 15 0.558616231777 0.00832456031719 . . . . . . . 26713 9 83 . . 1 1 149 149 THR N N 15 0.596566585164 0.00985758853415 . . . . . . . 26713 9 84 . . 1 1 150 150 ALA N N 15 0.584600521613 0.0171144581742 . . . . . . . 26713 9 85 . . 1 1 151 151 ALA N N 15 1.13362137867 0.011529462429 . . . . . . . 26713 9 86 . . 1 1 152 152 ASP N N 15 0.612256339361 0.0111329496905 . . . . . . . 26713 9 87 . . 1 1 153 153 THR N N 15 0.653540133383 0.0706063989757 . . . . . . . 26713 9 88 . . 1 1 154 154 ALA N N 15 0.626973757583 0.0132225291708 . . . . . . . 26713 9 89 . . 1 1 156 156 GLN N N 15 0.61039105735 0.0131150166258 . . . . . . . 26713 9 90 . . 1 1 157 157 ILE N N 15 0.574017788894 0.0160930414088 . . . . . . . 26713 9 91 . . 1 1 158 158 THR N N 15 0.553437875352 0.0178083440128 . . . . . . . 26713 9 92 . . 1 1 160 160 ARG N N 15 0.611763600482 0.0215805108641 . . . . . . . 26713 9 93 . . 1 1 161 161 LYS N N 15 0.585392009472 0.0168943867285 . . . . . . . 26713 9 94 . . 1 1 162 162 TRP N N 15 0.634194906398 0.0379732446065 . . . . . . . 26713 9 95 . . 1 1 163 163 GLU N N 15 0.653667469092 0.0185152864723 . . . . . . . 26713 9 96 . . 1 1 165 165 ALA N N 15 0.57627713148 0.011950453541 . . . . . . . 26713 9 97 . . 1 1 166 166 ARG N N 15 0.658498527746 0.0133544879881 . . . . . . . 26713 9 98 . . 1 1 167 167 VAL N N 15 0.814022268334 0.0132050996018 . . . . . . . 26713 9 99 . . 1 1 172 172 ARG N N 15 0.609960485682 0.0626893601282 . . . . . . . 26713 9 100 . . 1 1 173 173 ALA N N 15 0.680734315816 0.0342310185202 . . . . . . . 26713 9 101 . . 1 1 176 176 GLU N N 15 0.561089532872 0.0346910873272 . . . . . . . 26713 9 102 . . 1 1 177 177 GLY N N 15 0.615000310314 0.0206392615075 . . . . . . . 26713 9 103 . . 1 1 178 178 GLU N N 15 0.509794055853 0.0369852288498 . . . . . . . 26713 9 104 . . 1 1 179 179 CYS N N 15 0.580139112414 0.0462031518597 . . . . . . . 26713 9 105 . . 1 1 180 180 VAL N N 15 0.539053879763 0.0294835727958 . . . . . . . 26713 9 106 . . 1 1 181 181 GLU N N 15 0.703121345949 0.0269837296226 . . . . . . . 26713 9 107 . . 1 1 190 190 GLY N N 15 0.546375398513 0.0214539009589 . . . . . . . 26713 9 108 . . 1 1 191 191 LYS N N 15 0.657896163144 0.0149615675559 . . . . . . . 26713 9 109 . . 1 1 192 192 GLU N N 15 0.690050165405 0.0212712655167 . . . . . . . 26713 9 110 . . 1 1 193 193 THR N N 15 0.611336143824 0.0379329199009 . . . . . . . 26713 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 26713 _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 . 26713 10 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 17 17 SER N N 15 20.5159178847 0.556084101058 . . . . . . . 26713 10 2 . . 1 1 19 19 SER N N 15 27.0132189802 0.804863754504 . . . . . . . 26713 10 3 . . 1 1 20 20 MET N N 15 26.9879836438 1.30878451194 . . . . . . . 26713 10 4 . . 1 1 21 21 ARG N N 15 26.424469937 1.90028641559 . . . . . . . 26713 10 5 . . 1 1 22 22 TYR N N 15 29.6557313438 1.33727168365 . . . . . . . 26713 10 6 . . 1 1 23 23 PHE N N 15 27.8342249071 0.87557596043 . . . . . . . 26713 10 7 . . 1 1 26 26 SER N N 15 26.2498127248 1.23437949109 . . . . . . . 26713 10 8 . . 1 1 27 27 VAL N N 15 24.9763752187 0.728077496376 . . . . . . . 26713 10 9 . . 1 1 28 28 SER N N 15 27.624578191 1.12402661042 . . . . . . . 26713 10 10 . . 1 1 31 31 GLY N N 15 8.81202123748 0.920652115009 . . . . . . . 26713 10 11 . . 1 1 33 33 GLY N N 15 27.1694888171 2.33125641052 . . . . . . . 26713 10 12 . . 1 1 34 34 GLU N N 15 16.8355254627 0.534806580696 . . . . . . . 26713 10 13 . . 1 1 36 36 ARG N N 15 26.3604833888 0.767010791556 . . . . . . . 26713 10 14 . . 1 1 37 37 PHE N N 15 23.5306060871 0.705918182614 . . . . . . . 26713 10 15 . . 1 1 38 38 ILE N N 15 25.3535563228 0.759859219795 . . . . . . . 26713 10 16 . . 1 1 41 41 GLY N N 15 25.6208829838 1.09017061423 . . . . . . . 26713 10 17 . . 1 1 42 42 TYR N N 15 27.9022161597 0.822406144526 . . . . . . . 26713 10 18 . . 1 1 44 44 ASP N N 15 28.7757168702 0.836987194554 . . . . . . . 26713 10 19 . . 1 1 45 45 ASP N N 15 27.4155554519 1.02401001868 . . . . . . . 26713 10 20 . . 1 1 46 46 THR N N 15 28.6673046608 1.00443032531 . . . . . . . 26713 10 21 . . 1 1 47 47 LEU N N 15 28.7449663346 0.765038917142 . . . . . . . 26713 10 22 . . 1 1 49 49 VAL N N 15 37.9103906093 2.29428881753 . . . . . . . 26713 10 23 . . 1 1 50 50 ARG N N 15 15.7254047567 0.346690284432 . . . . . . . 26713 10 24 . . 1 1 52 52 ASP N N 15 24.8859717826 0.553325655771 . . . . . . . 26713 10 25 . . 1 1 53 53 SER N N 15 27.2514477257 0.818178376364 . . . . . . . 26713 10 26 . . 1 1 54 54 ASP N N 15 28.1446138702 0.948914612976 . . . . . . . 26713 10 27 . . 1 1 55 55 ALA N N 15 21.3698223298 0.332111813598 . . . . . . . 26713 10 28 . . 1 1 56 56 ALA N N 15 4.62112428638 0.112149451682 . . . . . . . 26713 10 29 . . 1 1 57 57 SER N N 15 20.3007124786 1.5727131399 . . . . . . . 26713 10 30 . . 1 1 63 63 ARG N N 15 23.4921623767 1.45728822475 . . . . . . . 26713 10 31 . . 1 1 64 64 ALA N N 15 29.9667200909 1.64735829747 . . . . . . . 26713 10 32 . . 1 1 66 66 TRP N N 15 27.4777901962 1.54661572095 . . . . . . . 26713 10 33 . . 1 1 67 67 ILE N N 15 30.8611615418 2.18293734219 . . . . . . . 26713 10 34 . . 1 1 71 71 GLY N N 15 20.4643545079 0.484156683389 . . . . . . . 26713 10 35 . . 1 1 73 73 GLU N N 15 26.8528899893 1.17659567673 . . . . . . . 26713 10 36 . . 1 1 74 74 TYR N N 15 26.152947211 0.745049817171 . . . . . . . 26713 10 37 . . 1 1 78 78 GLU N N 15 22.6905151887 0.214387201922 . . . . . . . 26713 10 38 . . 1 1 80 80 GLN N N 15 11.1111305409 0.277677002925 . . . . . . . 26713 10 39 . . 1 1 83 83 LYS N N 15 24.6427070645 1.79097812549 . . . . . . . 26713 10 40 . . 1 1 86 86 ALA N N 15 24.3444879884 1.51363581878 . . . . . . . 26713 10 41 . . 1 1 89 89 ASP N N 15 26.9140224582 1.8280850091 . . . . . . . 26713 10 42 . . 1 1 90 90 ARG N N 15 27.7818227081 1.02551559565 . . . . . . . 26713 10 43 . . 1 1 91 91 GLU N N 15 27.6770647951 1.72369967441 . . . . . . . 26713 10 44 . . 1 1 93 93 LEU N N 15 7.23899918801 0.147888179899 . . . . . . . 26713 10 45 . . 1 1 94 94 ARG N N 15 26.0043804891 1.58558411783 . . . . . . . 26713 10 46 . . 1 1 99 99 TYR N N 15 27.0819291471 0.865430065362 . . . . . . . 26713 10 47 . . 1 1 100 100 TYR N N 15 23.294666783 0.755522162959 . . . . . . . 26713 10 48 . . 1 1 102 102 GLN N N 15 26.0476039839 0.680729133782 . . . . . . . 26713 10 49 . . 1 1 106 106 GLY N N 15 15.7238510687 1.21219161611 . . . . . . . 26713 10 50 . . 1 1 107 107 SER N N 15 22.0354896543 1.3843985761 . . . . . . . 26713 10 51 . . 1 1 108 108 HIS N N 15 17.9096163086 0.510807037295 . . . . . . . 26713 10 52 . . 1 1 109 109 THR N N 15 23.5527147178 0.70471328772 . . . . . . . 26713 10 53 . . 1 1 110 110 LEU N N 15 26.6985699632 1.60021431773 . . . . . . . 26713 10 54 . . 1 1 111 111 GLN N N 15 24.338133133 1.28964491727 . . . . . . . 26713 10 55 . . 1 1 112 112 ASN N N 15 26.15544999 2.17028627948 . . . . . . . 26713 10 56 . . 1 1 113 113 MET N N 15 28.403456416 3.15456491829 . . . . . . . 26713 10 57 . . 1 1 114 114 TYR N N 15 26.0305988295 0.904973185097 . . . . . . . 26713 10 58 . . 1 1 115 115 GLY N N 15 28.348993172 2.0571015962 . . . . . . . 26713 10 59 . . 1 1 116 116 CYS N N 15 25.1787877089 1.35144693666 . . . . . . . 26713 10 60 . . 1 1 117 117 ASP N N 15 28.3120414377 1.24623613571 . . . . . . . 26713 10 61 . . 1 1 118 118 VAL N N 15 28.4562242541 1.04265871781 . . . . . . . 26713 10 62 . . 1 1 119 119 GLY N N 15 26.3300624656 0.779983914592 . . . . . . . 26713 10 63 . . 1 1 121 121 ASP N N 15 22.2694334347 0.670557196851 . . . . . . . 26713 10 64 . . 1 1 122 122 GLY N N 15 25.1629633186 0.852033283769 . . . . . . . 26713 10 65 . . 1 1 125 125 LEU N N 15 24.6466744613 1.34704771836 . . . . . . . 26713 10 66 . . 1 1 127 127 GLY N N 15 23.4096077878 1.13889473648 . . . . . . . 26713 10 67 . . 1 1 130 130 GLN N N 15 31.2273594663 1.90188313206 . . . . . . . 26713 10 68 . . 1 1 131 131 HIS N N 15 29.2757376083 2.6960663525 . . . . . . . 26713 10 69 . . 1 1 133 133 TYR N N 15 22.2697913739 0.623429199256 . . . . . . . 26713 10 70 . . 1 1 134 134 ASP N N 15 25.1736798497 1.34420564393 . . . . . . . 26713 10 71 . . 1 1 135 135 GLY N N 15 24.8016090624 2.28459979186 . . . . . . . 26713 10 72 . . 1 1 138 138 TYR N N 15 22.2982486651 1.24334714732 . . . . . . . 26713 10 73 . . 1 1 139 139 ILE N N 15 25.8885115036 2.08941445167 . . . . . . . 26713 10 74 . . 1 1 140 140 ALA N N 15 28.6055866183 2.18836240232 . . . . . . . 26713 10 75 . . 1 1 141 141 LEU N N 15 25.8342569939 1.51471087426 . . . . . . . 26713 10 76 . . 1 1 142 142 ASN N N 15 29.4427108083 0.963836190664 . . . . . . . 26713 10 77 . . 1 1 143 143 GLU N N 15 27.4124585275 1.23785060007 . . . . . . . 26713 10 78 . . 1 1 144 144 ASP N N 15 25.2013723504 0.636061893281 . . . . . . . 26713 10 79 . . 1 1 145 145 LEU N N 15 28.6017406594 0.982578957636 . . . . . . . 26713 10 80 . . 1 1 146 146 SER N N 15 27.1064452228 1.44716577079 . . . . . . . 26713 10 81 . . 1 1 147 147 SER N N 15 20.4909394827 1.30780064154 . . . . . . . 26713 10 82 . . 1 1 148 148 TRP N N 15 26.8712040254 0.534882359737 . . . . . . . 26713 10 83 . . 1 1 149 149 THR N N 15 24.3783257881 0.563323059958 . . . . . . . 26713 10 84 . . 1 1 150 150 ALA N N 15 23.673412651 0.900370676222 . . . . . . . 26713 10 85 . . 1 1 151 151 ALA N N 15 11.255520499 0.158035802815 . . . . . . . 26713 10 86 . . 1 1 152 152 ASP N N 15 22.7932704713 0.533517878743 . . . . . . . 26713 10 87 . . 1 1 153 153 THR N N 15 22.8429409306 2.77455788795 . . . . . . . 26713 10 88 . . 1 1 154 154 ALA N N 15 27.8298582452 0.811794911394 . . . . . . . 26713 10 89 . . 1 1 156 156 GLN N N 15 26.5071698625 0.809122047871 . . . . . . . 26713 10 90 . . 1 1 157 157 ILE N N 15 28.7728472228 1.17956118493 . . . . . . . 26713 10 91 . . 1 1 158 158 THR N N 15 27.8551813552 1.21882187823 . . . . . . . 26713 10 92 . . 1 1 160 160 ARG N N 15 28.298842708 1.39173969072 . . . . . . . 26713 10 93 . . 1 1 161 161 LYS N N 15 29.5740587612 1.24522164841 . . . . . . . 26713 10 94 . . 1 1 162 162 TRP N N 15 30.2406915847 2.57710692235 . . . . . . . 26713 10 95 . . 1 1 163 163 GLU N N 15 26.5215403124 1.15752378853 . . . . . . . 26713 10 96 . . 1 1 165 165 ALA N N 15 26.9240237692 0.809758769534 . . . . . . . 26713 10 97 . . 1 1 166 166 ARG N N 15 24.9846020347 0.724421525738 . . . . . . . 26713 10 98 . . 1 1 167 167 VAL N N 15 26.8446340414 0.666486308273 . . . . . . . 26713 10 99 . . 1 1 172 172 ARG N N 15 29.8165816752 2.4947749947 . . . . . . . 26713 10 100 . . 1 1 173 173 ALA N N 15 23.2865089551 0.402821372578 . . . . . . . 26713 10 101 . . 1 1 176 176 GLU N N 15 24.1540615305 1.36291161213 . . . . . . . 26713 10 102 . . 1 1 177 177 GLY N N 15 25.0458297089 1.04900338367 . . . . . . . 26713 10 103 . . 1 1 178 178 GLU N N 15 26.4904973324 1.78834146444 . . . . . . . 26713 10 104 . . 1 1 179 179 CYS N N 15 30.31853768 2.01541768448 . . . . . . . 26713 10 105 . . 1 1 180 180 VAL N N 15 27.9899879007 1.4518010764 . . . . . . . 26713 10 106 . . 1 1 181 181 GLU N N 15 24.6137716872 1.02181056228 . . . . . . . 26713 10 107 . . 1 1 190 190 GLY N N 15 26.3176111954 1.50399977213 . . . . . . . 26713 10 108 . . 1 1 191 191 LYS N N 15 29.8995644817 0.991779517524 . . . . . . . 26713 10 109 . . 1 1 192 192 GLU N N 15 26.8388751281 1.19987092035 . . . . . . . 26713 10 110 . . 1 1 193 193 THR N N 15 33.148708606 3.06561289687 . . . . . . . 26713 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 26713 _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 . 26713 11 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 17 17 SER N N 15 0.729784398613 0.0150146326647 . . . . . . . 26713 11 2 . . 1 1 19 19 SER N N 15 0.483834437526 0.0146158131615 . . . . . . . 26713 11 3 . . 1 1 20 20 MET N N 15 0.474996295227 0.0236742983556 . . . . . . . 26713 11 4 . . 1 1 21 21 ARG N N 15 0.492321722308 0.0452322621066 . . . . . . . 26713 11 5 . . 1 1 22 22 TYR N N 15 0.476289829324 0.0241686159457 . . . . . . . 26713 11 6 . . 1 1 23 23 PHE N N 15 0.444572576912 0.0155083034604 . . . . . . . 26713 11 7 . . 1 1 26 26 SER N N 15 0.435868306532 0.022666834452 . . . . . . . 26713 11 8 . . 1 1 27 27 VAL N N 15 0.475327092275 0.0117409353726 . . . . . . . 26713 11 9 . . 1 1 28 28 SER N N 15 0.506099570274 0.0211203663708 . . . . . . . 26713 11 10 . . 1 1 31 31 GLY N N 15 1.02933154986 0.566144426177 . . . . . . . 26713 11 11 . . 1 1 33 33 GLY N N 15 0.514274093824 0.0376545468134 . . . . . . . 26713 11 12 . . 1 1 34 34 GLU N N 15 0.637814443692 0.0416576967044 . . . . . . . 26713 11 13 . . 1 1 36 36 ARG N N 15 0.524924293476 0.0150963744058 . . . . . . . 26713 11 14 . . 1 1 37 37 PHE N N 15 0.509444043274 0.014931932044 . . . . . . . 26713 11 15 . . 1 1 38 38 ILE N N 15 0.470581370161 0.0146249986969 . . . . . . . 26713 11 16 . . 1 1 41 41 GLY N N 15 0.490756846865 0.0256850984899 . . . . . . . 26713 11 17 . . 1 1 42 42 TYR N N 15 0.435923506622 0.0129536267448 . . . . . . . 26713 11 18 . . 1 1 44 44 ASP N N 15 0.465914697646 0.0146974968867 . . . . . . . 26713 11 19 . . 1 1 45 45 ASP N N 15 0.494810527886 0.0176762908394 . . . . . . . 26713 11 20 . . 1 1 46 46 THR N N 15 0.449211205206 0.0171829498375 . . . . . . . 26713 11 21 . . 1 1 47 47 LEU N N 15 0.436795743002 0.0120444099275 . . . . . . . 26713 11 22 . . 1 1 49 49 VAL N N 15 0.49710017334 0.0996708309929 . . . . . . . 26713 11 23 . . 1 1 50 50 ARG N N 15 0.507479249588 0.019904152959 . . . . . . . 26713 11 24 . . 1 1 52 52 ASP N N 15 0.494129210659 0.0115378874961 . . . . . . . 26713 11 25 . . 1 1 53 53 SER N N 15 0.479940253939 0.0145347975159 . . . . . . . 26713 11 26 . . 1 1 54 54 ASP N N 15 0.482414004985 0.0192362994375 . . . . . . . 26713 11 27 . . 1 1 55 55 ALA N N 15 0.553310415049 0.0071773003029 . . . . . . . 26713 11 28 . . 1 1 56 56 ALA N N 15 0.307482351701 0.140592947331 . . . . . . . 26713 11 29 . . 1 1 57 57 SER N N 15 0.613241326941 0.149073909104 . . . . . . . 26713 11 30 . . 1 1 63 63 ARG N N 15 0.424740100937 0.0807966999511 . . . . . . . 26713 11 31 . . 1 1 64 64 ALA N N 15 0.370934207828 0.022273915858 . . . . . . . 26713 11 32 . . 1 1 66 66 TRP N N 15 0.47736366769 0.0248710671815 . . . . . . . 26713 11 33 . . 1 1 67 67 ILE N N 15 0.487538727271 0.0308504377705 . . . . . . . 26713 11 34 . . 1 1 71 71 GLY N N 15 0.579606834162 0.0180217048033 . . . . . . . 26713 11 35 . . 1 1 73 73 GLU N N 15 0.464992323773 0.036162108481 . . . . . . . 26713 11 36 . . 1 1 74 74 TYR N N 15 0.49669563777 0.0138664655852 . . . . . . . 26713 11 37 . . 1 1 78 78 GLU N N 15 0.505953168367 0.0110011653295 . . . . . . . 26713 11 38 . . 1 1 80 80 GLN N N 15 0.778458036031 0.0172742124675 . . . . . . . 26713 11 39 . . 1 1 83 83 LYS N N 15 0.432792263538 0.0385654899578 . . . . . . . 26713 11 40 . . 1 1 86 86 ALA N N 15 0.497164384486 0.00787898141238 . . . . . . . 26713 11 41 . . 1 1 89 89 ASP N N 15 0.479508292879 0.0316568435428 . . . . . . . 26713 11 42 . . 1 1 90 90 ARG N N 15 0.507418742162 0.0169561903674 . . . . . . . 26713 11 43 . . 1 1 91 91 GLU N N 15 0.50246387849 0.0252133062862 . . . . . . . 26713 11 44 . . 1 1 93 93 LEU N N 15 0.473608969157 0.0275348384713 . . . . . . . 26713 11 45 . . 1 1 94 94 ARG N N 15 0.463115094171 0.0285753273754 . . . . . . . 26713 11 46 . . 1 1 99 99 TYR N N 15 0.486104483424 0.0131033997255 . . . . . . . 26713 11 47 . . 1 1 100 100 TYR N N 15 0.464634928816 0.0139838329022 . . . . . . . 26713 11 48 . . 1 1 102 102 GLN N N 15 0.477633038876 0.0121592157049 . . . . . . . 26713 11 49 . . 1 1 106 106 GLY N N 15 0.344373243041 0.222737084897 . . . . . . . 26713 11 50 . . 1 1 107 107 SER N N 15 0.490993292426 0.0731710747823 . . . . . . . 26713 11 51 . . 1 1 108 108 HIS N N 15 0.499187930311 0.0149620083406 . . . . . . . 26713 11 52 . . 1 1 109 109 THR N N 15 0.477270419375 0.0141351427802 . . . . . . . 26713 11 53 . . 1 1 110 110 LEU N N 15 0.47959225731 0.031401459116 . . . . . . . 26713 11 54 . . 1 1 111 111 GLN N N 15 0.447088805886 0.0289436495321 . . . . . . . 26713 11 55 . . 1 1 112 112 ASN N N 15 0.499874490086 0.0349141499155 . . . . . . . 26713 11 56 . . 1 1 113 113 MET N N 15 0.491815071192 0.0610150894096 . . . . . . . 26713 11 57 . . 1 1 114 114 TYR N N 15 0.511275340553 0.017377266737 . . . . . . . 26713 11 58 . . 1 1 115 115 GLY N N 15 0.480240248552 0.038053119992 . . . . . . . 26713 11 59 . . 1 1 116 116 CYS N N 15 0.469752865673 0.0282773870279 . . . . . . . 26713 11 60 . . 1 1 117 117 ASP N N 15 0.446730686071 0.0204840045294 . . . . . . . 26713 11 61 . . 1 1 118 118 VAL N N 15 0.452873284626 0.0162716013954 . . . . . . . 26713 11 62 . . 1 1 119 119 GLY N N 15 0.472526501986 0.0145107215846 . . . . . . . 26713 11 63 . . 1 1 121 121 ASP N N 15 0.570777079189 0.0196033338775 . . . . . . . 26713 11 64 . . 1 1 122 122 GLY N N 15 0.555559185197 0.0164885609371 . . . . . . . 26713 11 65 . . 1 1 125 125 LEU N N 15 0.517853393992 0.0266904469794 . . . . . . . 26713 11 66 . . 1 1 127 127 GLY N N 15 0.563769231267 0.0268567179112 . . . . . . . 26713 11 67 . . 1 1 130 130 GLN N N 15 0.495172987492 0.0556880935919 . . . . . . . 26713 11 68 . . 1 1 131 131 HIS N N 15 0.448737767643 0.0416864950916 . . . . . . . 26713 11 69 . . 1 1 133 133 TYR N N 15 0.474898965913 0.0148864983402 . . . . . . . 26713 11 70 . . 1 1 134 134 ASP N N 15 0.502840778978 0.0306841242394 . . . . . . . 26713 11 71 . . 1 1 135 135 GLY N N 15 0.45462731952 0.0793052239331 . . . . . . . 26713 11 72 . . 1 1 138 138 TYR N N 15 0.477891665049 0.0200671786048 . . . . . . . 26713 11 73 . . 1 1 139 139 ILE N N 15 0.432906231235 0.0261016209269 . . . . . . . 26713 11 74 . . 1 1 140 140 ALA N N 15 0.505955309651 0.0427210413912 . . . . . . . 26713 11 75 . . 1 1 141 141 LEU N N 15 0.449976002683 0.0275848252052 . . . . . . . 26713 11 76 . . 1 1 142 142 ASN N N 15 0.448276243118 0.0135604906583 . . . . . . . 26713 11 77 . . 1 1 143 143 GLU N N 15 0.473345472488 0.0403952841299 . . . . . . . 26713 11 78 . . 1 1 144 144 ASP N N 15 0.567556104895 0.011995562182 . . . . . . . 26713 11 79 . . 1 1 145 145 LEU N N 15 0.466350083494 0.0152085299391 . . . . . . . 26713 11 80 . . 1 1 146 146 SER N N 15 0.44568258809 0.0219986912961 . . . . . . . 26713 11 81 . . 1 1 147 147 SER N N 15 0.441192273571 0.0457438654464 . . . . . . . 26713 11 82 . . 1 1 148 148 TRP N N 15 0.42576847584 0.00755927203838 . . . . . . . 26713 11 83 . . 1 1 149 149 THR N N 15 0.452916415504 0.00936157752889 . . . . . . . 26713 11 84 . . 1 1 150 150 ALA N N 15 0.486736230959 0.0239502465619 . . . . . . . 26713 11 85 . . 1 1 151 151 ALA N N 15 0.678291110884 0.0203400900855 . . . . . . . 26713 11 86 . . 1 1 152 152 ASP N N 15 0.507466118538 0.00911564556883 . . . . . . . 26713 11 87 . . 1 1 153 153 THR N N 15 0.580916741854 0.14752598145 . . . . . . . 26713 11 88 . . 1 1 154 154 ALA N N 15 0.519833159192 0.0126431060967 . . . . . . . 26713 11 89 . . 1 1 156 156 GLN N N 15 0.476895523367 0.0117823249059 . . . . . . . 26713 11 90 . . 1 1 157 157 ILE N N 15 0.396638892492 0.00983290679871 . . . . . . . 26713 11 91 . . 1 1 158 158 THR N N 15 0.404748396178 0.0173488161591 . . . . . . . 26713 11 92 . . 1 1 160 160 ARG N N 15 0.462118575893 0.0227439835865 . . . . . . . 26713 11 93 . . 1 1 161 161 LYS N N 15 0.449165366957 0.0134991629547 . . . . . . . 26713 11 94 . . 1 1 162 162 TRP N N 15 0.474596087431 0.0364677662635 . . . . . . . 26713 11 95 . . 1 1 163 163 GLU N N 15 0.48637041845 0.0189961627429 . . . . . . . 26713 11 96 . . 1 1 165 165 ALA N N 15 0.427914154434 0.010520489529 . . . . . . . 26713 11 97 . . 1 1 166 166 ARG N N 15 0.550176153787 0.0134445553724 . . . . . . . 26713 11 98 . . 1 1 167 167 VAL N N 15 0.492661312079 0.0297791396716 . . . . . . . 26713 11 99 . . 1 1 172 172 ARG N N 15 0.543901225644 0.0384708621127 . . . . . . . 26713 11 100 . . 1 1 173 173 ALA N N 15 0.460629948255 0.0155036531827 . . . . . . . 26713 11 101 . . 1 1 176 176 GLU N N 15 0.36904245884 0.0243413326173 . . . . . . . 26713 11 102 . . 1 1 177 177 GLY N N 15 0.436410071255 0.0159469724863 . . . . . . . 26713 11 103 . . 1 1 178 178 GLU N N 15 0.445186446672 0.0596874501657 . . . . . . . 26713 11 104 . . 1 1 179 179 CYS N N 15 0.422602639448 0.0439110735309 . . . . . . . 26713 11 105 . . 1 1 180 180 VAL N N 15 0.451462407088 0.0205731834349 . . . . . . . 26713 11 106 . . 1 1 181 181 GLU N N 15 0.461793386597 0.0225193239286 . . . . . . . 26713 11 107 . . 1 1 190 190 GLY N N 15 0.455960989432 0.0247793495291 . . . . . . . 26713 11 108 . . 1 1 191 191 LYS N N 15 0.52018008615 0.017648440754 . . . . . . . 26713 11 109 . . 1 1 192 192 GLU N N 15 0.527292090049 0.0292461667574 . . . . . . . 26713 11 110 . . 1 1 193 193 THR N N 15 0.584053710292 0.0395788389482 . . . . . . . 26713 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 26713 _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 . 26713 12 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 17 17 SER N N 15 24.634115262 0.749729108044 . . . . . . . 26713 12 2 . . 1 1 19 19 SER N N 15 30.5067148405 1.24831823928 . . . . . . . 26713 12 3 . . 1 1 20 20 MET N N 15 31.9969671233 2.06205456799 . . . . . . . 26713 12 4 . . 1 1 21 21 ARG N N 15 31.6676783785 2.58129781875 . . . . . . . 26713 12 5 . . 1 1 22 22 TYR N N 15 28.5580506316 2.10673467541 . . . . . . . 26713 12 6 . . 1 1 23 23 PHE N N 15 31.445503014 1.11643038328 . . . . . . . 26713 12 7 . . 1 1 26 26 SER N N 15 30.0530288186 1.64616130449 . . . . . . . 26713 12 8 . . 1 1 27 27 VAL N N 15 27.262277285 0.883892931612 . . . . . . . 26713 12 9 . . 1 1 28 28 SER N N 15 33.6902675565 1.78023179802 . . . . . . . 26713 12 10 . . 1 1 31 31 GLY N N 15 14.5870256477 1.01871791353 . . . . . . . 26713 12 11 . . 1 1 33 33 GLY N N 15 40.0416942825 6.74922462574 . . . . . . . 26713 12 12 . . 1 1 34 34 GLU N N 15 21.5171454498 0.61750590736 . . . . . . . 26713 12 13 . . 1 1 36 36 ARG N N 15 28.253074787 1.01772952151 . . . . . . . 26713 12 14 . . 1 1 37 37 PHE N N 15 29.8105529013 1.01215143186 . . . . . . . 26713 12 15 . . 1 1 38 38 ILE N N 15 32.2513658334 1.43193394876 . . . . . . . 26713 12 16 . . 1 1 41 41 GLY N N 15 29.4918101151 1.683027753 . . . . . . . 26713 12 17 . . 1 1 42 42 TYR N N 15 29.1266153363 1.24843978686 . . . . . . . 26713 12 18 . . 1 1 44 44 ASP N N 15 34.0335039763 1.26660682182 . . . . . . . 26713 12 19 . . 1 1 45 45 ASP N N 15 30.7581701925 1.43605375096 . . . . . . . 26713 12 20 . . 1 1 46 46 THR N N 15 32.6032285356 1.45870237201 . . . . . . . 26713 12 21 . . 1 1 47 47 LEU N N 15 35.3923830088 1.43794242331 . . . . . . . 26713 12 22 . . 1 1 49 49 VAL N N 15 48.1029761365 9.69284668994 . . . . . . . 26713 12 23 . . 1 1 50 50 ARG N N 15 12.9295199324 0.260597632699 . . . . . . . 26713 12 24 . . 1 1 52 52 ASP N N 15 28.1897931188 0.718666391078 . . . . . . . 26713 12 25 . . 1 1 53 53 SER N N 15 29.8638856796 1.06202930272 . . . . . . . 26713 12 26 . . 1 1 54 54 ASP N N 15 30.9480165764 1.5461131708 . . . . . . . 26713 12 27 . . 1 1 55 55 ALA N N 15 24.6273928243 0.416435629449 . . . . . . . 26713 12 28 . . 1 1 56 56 ALA N N 15 26.0738983762 1.32796585159 . . . . . . . 26713 12 29 . . 1 1 57 57 SER N N 15 21.85088671 1.03872924113 . . . . . . . 26713 12 30 . . 1 1 63 63 ARG N N 15 33.5251699047 3.38584760824 . . . . . . . 26713 12 31 . . 1 1 64 64 ALA N N 15 30.6662791746 2.71266549711 . . . . . . . 26713 12 32 . . 1 1 66 66 TRP N N 15 34.8668280064 2.31305017326 . . . . . . . 26713 12 33 . . 1 1 67 67 ILE N N 15 32.7122744647 2.97433613026 . . . . . . . 26713 12 34 . . 1 1 71 71 GLY N N 15 23.5939997299 0.572274627507 . . . . . . . 26713 12 35 . . 1 1 73 73 GLU N N 15 29.8821158985 1.044925861 . . . . . . . 26713 12 36 . . 1 1 74 74 TYR N N 15 29.486485492 1.06354570156 . . . . . . . 26713 12 37 . . 1 1 78 78 GLU N N 15 27.0149758029 0.419232787862 . . . . . . . 26713 12 38 . . 1 1 80 80 GLN N N 15 10.9661232145 0.441081175165 . . . . . . . 26713 12 39 . . 1 1 83 83 LYS N N 15 40.2163264796 4.88474343619 . . . . . . . 26713 12 40 . . 1 1 86 86 ALA N N 15 30.9908799719 2.10644293755 . . . . . . . 26713 12 41 . . 1 1 89 89 ASP N N 15 38.2485793708 3.49382622807 . . . . . . . 26713 12 42 . . 1 1 90 90 ARG N N 15 29.4805540656 1.37350180725 . . . . . . . 26713 12 43 . . 1 1 91 91 GLU N N 15 31.6733524244 2.31763756381 . . . . . . . 26713 12 44 . . 1 1 93 93 LEU N N 15 5.62766645061 0.125528238136 . . . . . . . 26713 12 45 . . 1 1 94 94 ARG N N 15 31.1983602367 2.39214651367 . . . . . . . 26713 12 46 . . 1 1 99 99 TYR N N 15 29.9765808901 1.26256515783 . . . . . . . 26713 12 47 . . 1 1 100 100 TYR N N 15 27.9283125707 1.30546183436 . . . . . . . 26713 12 48 . . 1 1 102 102 GLN N N 15 29.7483227793 0.997617992431 . . . . . . . 26713 12 49 . . 1 1 106 106 GLY N N 15 17.3798561206 1.27495282479 . . . . . . . 26713 12 50 . . 1 1 107 107 SER N N 15 25.1936471582 1.10518373477 . . . . . . . 26713 12 51 . . 1 1 108 108 HIS N N 15 18.7730571254 0.565421905502 . . . . . . . 26713 12 52 . . 1 1 109 109 THR N N 15 26.0166302037 0.90337484816 . . . . . . . 26713 12 53 . . 1 1 110 110 LEU N N 15 29.7448770417 2.47413607333 . . . . . . . 26713 12 54 . . 1 1 111 111 GLN N N 15 23.1765975194 1.75671697435 . . . . . . . 26713 12 55 . . 1 1 112 112 ASN N N 15 33.5295014683 3.07948144575 . . . . . . . 26713 12 56 . . 1 1 113 113 MET N N 15 34.1448769554 6.8210580233 . . . . . . . 26713 12 57 . . 1 1 114 114 TYR N N 15 32.4080072306 1.94069692867 . . . . . . . 26713 12 58 . . 1 1 115 115 GLY N N 15 31.53958435 3.61971033319 . . . . . . . 26713 12 59 . . 1 1 116 116 CYS N N 15 27.9457836999 2.18786282761 . . . . . . . 26713 12 60 . . 1 1 117 117 ASP N N 15 32.6032754961 2.35739319783 . . . . . . . 26713 12 61 . . 1 1 118 118 VAL N N 15 33.32186858 1.79644764349 . . . . . . . 26713 12 62 . . 1 1 119 119 GLY N N 15 30.1829524824 1.61483944241 . . . . . . . 26713 12 63 . . 1 1 121 121 ASP N N 15 25.3319557324 0.756207065781 . . . . . . . 26713 12 64 . . 1 1 122 122 GLY N N 15 29.9079414832 1.19908952036 . . . . . . . 26713 12 65 . . 1 1 125 125 LEU N N 15 35.4184961411 3.25451789274 . . . . . . . 26713 12 66 . . 1 1 127 127 GLY N N 15 26.0449127646 2.01788554426 . . . . . . . 26713 12 67 . . 1 1 130 130 GLN N N 15 39.2136241905 7.73606160214 . . . . . . . 26713 12 68 . . 1 1 131 131 HIS N N 15 41.6033735214 5.99824207005 . . . . . . . 26713 12 69 . . 1 1 133 133 TYR N N 15 19.6865703346 0.556063043851 . . . . . . . 26713 12 70 . . 1 1 134 134 ASP N N 15 32.2638180012 2.26234624491 . . . . . . . 26713 12 71 . . 1 1 135 135 GLY N N 15 29.8542870876 5.35120297499 . . . . . . . 26713 12 72 . . 1 1 138 138 TYR N N 15 30.7145409208 5.47918033162 . . . . . . . 26713 12 73 . . 1 1 139 139 ILE N N 15 31.3231160918 2.49152298407 . . . . . . . 26713 12 74 . . 1 1 140 140 ALA N N 15 32.3090276357 3.76869181278 . . . . . . . 26713 12 75 . . 1 1 141 141 LEU N N 15 27.7365075375 1.95140301534 . . . . . . . 26713 12 76 . . 1 1 142 142 ASN N N 15 36.2588252557 1.52988290136 . . . . . . . 26713 12 77 . . 1 1 143 143 GLU N N 15 30.5611476476 1.05185178765 . . . . . . . 26713 12 78 . . 1 1 144 144 ASP N N 15 28.6720920767 0.713987289966 . . . . . . . 26713 12 79 . . 1 1 145 145 LEU N N 15 32.6292350205 1.29397889664 . . . . . . . 26713 12 80 . . 1 1 146 146 SER N N 15 32.7660197889 1.82912631859 . . . . . . . 26713 12 81 . . 1 1 147 147 SER N N 15 13.3916893117 0.968232699778 . . . . . . . 26713 12 82 . . 1 1 148 148 TRP N N 15 31.1506728881 0.698574275983 . . . . . . . 26713 12 83 . . 1 1 149 149 THR N N 15 26.80094912 0.737784802747 . . . . . . . 26713 12 84 . . 1 1 150 150 ALA N N 15 30.3095146555 1.41421693444 . . . . . . . 26713 12 85 . . 1 1 151 151 ALA N N 15 10.2989512357 0.143509079453 . . . . . . . 26713 12 86 . . 1 1 152 152 ASP N N 15 26.5316412103 0.594706977975 . . . . . . . 26713 12 87 . . 1 1 153 153 THR N N 15 29.0235867927 2.30921789638 . . . . . . . 26713 12 88 . . 1 1 154 154 ALA N N 15 31.4931128547 1.1727021797 . . . . . . . 26713 12 89 . . 1 1 156 156 GLN N N 15 31.1730703596 1.30491149189 . . . . . . . 26713 12 90 . . 1 1 157 157 ILE N N 15 31.2632703272 1.51035072964 . . . . . . . 26713 12 91 . . 1 1 158 158 THR N N 15 32.4974217771 1.81877941397 . . . . . . . 26713 12 92 . . 1 1 160 160 ARG N N 15 30.3077111379 2.35971536651 . . . . . . . 26713 12 93 . . 1 1 161 161 LYS N N 15 34.6776740197 2.02717058804 . . . . . . . 26713 12 94 . . 1 1 162 162 TRP N N 15 32.298155309 4.94319683337 . . . . . . . 26713 12 95 . . 1 1 163 163 GLU N N 15 34.1302124878 2.29612419915 . . . . . . . 26713 12 96 . . 1 1 165 165 ALA N N 15 29.6363388613 1.02331870848 . . . . . . . 26713 12 97 . . 1 1 166 166 ARG N N 15 28.1848805232 1.03221284557 . . . . . . . 26713 12 98 . . 1 1 167 167 VAL N N 15 34.7005848421 1.32734699103 . . . . . . . 26713 12 99 . . 1 1 172 172 ARG N N 15 32.0401892646 4.26230946989 . . . . . . . 26713 12 100 . . 1 1 173 173 ALA N N 15 26.751944266 0.62245076691 . . . . . . . 26713 12 101 . . 1 1 176 176 GLU N N 15 28.5022438125 2.93278540084 . . . . . . . 26713 12 102 . . 1 1 177 177 GLY N N 15 30.5864021907 1.76741027724 . . . . . . . 26713 12 103 . . 1 1 178 178 GLU N N 15 37.5180577531 4.45990879826 . . . . . . . 26713 12 104 . . 1 1 179 179 CYS N N 15 34.5043069779 4.58029622403 . . . . . . . 26713 12 105 . . 1 1 180 180 VAL N N 15 32.8583230052 2.79393906123 . . . . . . . 26713 12 106 . . 1 1 181 181 GLU N N 15 26.0631959094 2.44990364232 . . . . . . . 26713 12 107 . . 1 1 190 190 GLY N N 15 29.4290435028 2.1631998118 . . . . . . . 26713 12 108 . . 1 1 191 191 LYS N N 15 31.0170927516 1.44874025576 . . . . . . . 26713 12 109 . . 1 1 192 192 GLU N N 15 32.2278529985 1.43297298793 . . . . . . . 26713 12 110 . . 1 1 193 193 THR N N 15 42.6169005517 4.463401447 . . . . . . . 26713 12 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_b2m _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_b2m _Order_parameter_list.Entry_ID 26713 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Bond_length_val: 1.02e-10.' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 7 '600.18 MHz R1' 1 $sample_1 . 26713 1 8 '600.18 MHz R2' . . . 26713 1 9 '600.18 MHz steady-state NOE' . . . 26713 1 10 '750.46 MHz R1' . . . 26713 1 11 '750.46 MHz R2' . . . 26713 1 12 '750.46 MHz steady-state NOE' . . . 26713 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 . . 26713 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 0.55786591383 0.0293993633977 . . . . 1.01497138865e-09 8.40865892189e-11 . . . 'S2f, S2, ts' 0.782985538942 0.0316971071765 0.712485590042 0.0271138535026 . . . . . . . . . 26713 1 2 . 2 2 8 8 ILE N N 15 -1.61355279661e-15 0.172303552699 . . . . 1.47959415415e-09 2.48712551092e-10 4.98417022488e-37 1.43474619079e-37 . 'S2f, S2, ts, Rex' 0.214923476113 0.143896518973 -9.42749210831e-13 0.310100728265 . . . . . . . . . 26713 1 3 . 2 2 9 9 GLN N N 15 0.883541043788 0.0545758317532 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 4 . 2 2 12 12 SER N N 15 0.821454686957 0.0469054670375 1.33575834323e-11 9.36158553867e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 5 . 2 2 13 13 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 6 . 2 2 14 14 HIS N N 15 0.862219326713 0.0308184390535 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 7 . 2 2 17 17 GLU N N 15 0.958218542202 0.0217888740185 4.98066331126e-10 3.15433830748e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 8 . 2 2 19 19 GLY N N 15 0.801948752383 0.0567174534735 1.19504347009e-11 1.06526238284e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 9 . 2 2 20 20 LYS N N 15 0.959185848433 0.0176868199406 4.34687438443e-11 1.55174833707e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 10 . 2 2 23 23 PHE N N 15 0.757004299542 0.0601061032667 1.22236726222e-11 6.17950355578e-12 . . . . 1.29550976657e-37 6.55090267284e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 1 11 . 2 2 25 25 ASN N N 15 0.904959866895 0.0567517257691 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 12 . 2 2 26 26 CYS N N 15 0.857867623513 0.0459651325984 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 13 . 2 2 27 27 TYR N N 15 0.754152848521 0.079478405113 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 14 . 2 2 29 29 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 15 . 2 2 30 30 GLY N N 15 0.845602150055 0.0452248791443 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 16 . 2 2 31 31 PHE N N 15 0.800537241415 0.0488578250155 . . . . 9.08912364316e-10 3.93604385585e-10 . . . 'S2f, S2, ts' 0.841773411333 0.0514200675815 0.951012743617 0.0264815096297 . . . . . . . . . 26713 1 17 . 2 2 34 34 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 18 . 2 2 35 35 ASP N N 15 0.862611129228 0.0154282100159 2.3096020869e-11 4.69084175723e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 19 . 2 2 37 37 GLU N N 15 0.77299748939 0.0592566754165 5.70354454373e-12 4.63854861422e-12 . . . . 1.54137927924e-37 6.82487938766e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 1 20 . 2 2 38 38 VAL N N 15 0.32894305115 0.0409215988699 . . . . 1.2171694087e-08 4.8251353956e-09 . . . 'S2f, S2, ts' 0.518932867086 0.0251953843917 0.633883633213 0.0972838013739 . . . . . . . . . 26713 1 21 . 2 2 40 40 LEU N N 15 0.765675600967 0.0389100971036 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 22 . 2 2 41 41 LEU N N 15 0.912991809739 0.0479994354376 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 23 . 2 2 43 43 ASN N N 15 0.969251467633 0.020905556932 1.05216383656e-09 1.79641333446e-09 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 24 . 2 2 44 44 GLY N N 15 0.893066709652 0.0613974630772 3.61615794358e-11 2.0159661831e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 25 . 2 2 45 45 GLU N N 15 0.861811588467 0.0270787350409 1.63949572407e-11 4.88425030954e-12 . . . . 8.805414744e-38 2.77224761838e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 1 26 . 2 2 46 46 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 27 . 2 2 47 47 ILE N N 15 0.8537016838 0.0570789362393 2.64567062661e-11 6.80047957592e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 28 . 2 2 48 48 GLU N N 15 0.911780418533 0.0419258811403 6.29777516518e-11 1.39183372799e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 29 . 2 2 49 49 LYS N N 15 0.63696358908 0.0246381373278 . . . . 4.85669902929e-10 1.20523463828e-10 . . . 'S2f, S2, ts' 0.707394271151 0.0348092762228 0.90043645398 0.0265646981644 . . . . . . . . . 26713 1 30 . 2 2 51 51 GLU N N 15 0.738394490689 0.043223559374 2.24811238281e-11 5.94545665687e-12 . . . . 1.55215417007e-37 5.61783464519e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 1 31 . 2 2 52 52 HIS N N 15 0.832713427929 0.0208602427689 1.46114601397e-11 3.67888849749e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 32 . 2 2 53 53 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 33 . 2 2 54 54 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 34 . 2 2 55 55 LEU N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 35 . 2 2 56 56 SER N N 15 0.85047543042 0.0485697035388 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 36 . 2 2 57 57 PHE N N 15 0.783186777451 0.0320861780648 . . . . 8.03555637499e-10 4.49393316322e-10 . . . 'S2f, S2, ts' 0.810179123201 0.0653762788916 0.966683483964 0.0504546760051 . . . . . . . . . 26713 1 37 . 2 2 58 58 SER N N 15 0.870570155022 0.0539618594751 1.76959143577e-11 1.04467480258e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 38 . 2 2 60 60 ASP N N 15 0.899405961333 0.0455946691565 2.67719793267e-11 1.42430541744e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 39 . 2 2 61 61 TRP N N 15 0.937873073445 0.0380671862694 2.91139647322e-11 2.20991638085e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 40 . 2 2 61 61 TRP NE1 N 15 0.747817972907 0.030824652304 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 41 . 2 2 62 62 SER N N 15 0.906522687425 0.0570241084946 . . . . . . 2.13023091754e-37 7.4398696579e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 1 42 . 2 2 63 63 PHE N N 15 0.49460557272 0.0659379134891 . . . . 4.84598041846e-09 4.41516076436e-09 . . . 'S2f, S2, ts' 0.627668461523 0.0421124108488 0.788004500848 0.095797312851 . . . . . . . . . 26713 1 43 . 2 2 64 64 TYR N N 15 0.814393415994 0.0675904402806 . . . . . . 1.4462218107e-37 8.53603448874e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 1 44 . 2 2 65 65 LEU N N 15 0.831259602796 0.0698261223993 . . . . 1.47436120344e-09 1.88888787205e-09 . . . 'S2f, S2, ts' 0.869894970548 0.0628835359123 0.955586169526 0.0306978641754 . . . . . . . . . 26713 1 45 . 2 2 66 66 LEU N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 46 . 2 2 67 67 TYR N N 15 0.84124033766 0.0723280573357 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 47 . 2 2 68 68 TYR N N 15 0.798189440106 0.049545056782 . . . . . . 1.80550874764e-37 6.26668391843e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 1 48 . 2 2 69 69 THR N N 15 0.908048930754 0.0456812035986 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 49 . 2 2 70 70 GLU N N 15 0.87690351134 0.0253678123594 3.07041266666e-11 1.03045674295e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 50 . 2 2 71 71 PHE N N 15 0.879234610497 0.0474615272243 2.41439622903e-11 9.99188420326e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 51 . 2 2 72 72 THR N N 15 0.836125158577 0.0638065091835 1.28544304766e-11 6.68673362834e-11 . . . . 1.32370456433e-37 6.2747997814e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 1 52 . 2 2 74 74 THR N N 15 0.807200496897 0.0446305130071 1.20308572286e-11 6.07633916865e-12 . . . . 1.11691924482e-37 4.59065551712e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 1 53 . 2 2 75 75 GLU N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 54 . 2 2 76 76 LYS N N 15 0.843888295595 0.0367603887516 4.38953895932e-11 3.91392563927e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 55 . 2 2 77 77 ASP N N 15 0.952023026225 0.0216461377361 2.79479183613e-11 1.33999361055e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 56 . 2 2 79 79 TYR N N 15 0.811213418156 0.0515962906605 1.12632358972e-11 7.66346021665e-12 . . . . 1.11977805825e-37 5.73078899115e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 1 57 . 2 2 81 81 CYS N N 15 0.915628304109 0.0357365264477 2.13317721981e-11 6.06512516419e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 58 . 2 2 82 82 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 59 . 2 2 83 83 VAL N N 15 0.910023216352 0.0484279351334 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 60 . 2 2 84 84 ASN N N 15 0.90061257235 0.0399077178534 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 61 . 2 2 85 85 HIS N N 15 0.894224241376 0.0247951536586 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 62 . 2 2 86 86 VAL N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 1 63 . 2 2 87 87 THR N N 15 0.920075846687 0.046050130046 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 64 . 2 2 88 88 LEU N N 15 0.912127019939 0.036001794272 1.98540229375e-11 7.08708845017e-11 . . . . 1.06541521675e-37 4.49415252606e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 1 65 . 2 2 90 90 GLN N N 15 0.944246123159 0.0117905038778 9.55845759613e-11 6.12319442931e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 66 . 2 2 92 92 LYS N N 15 0.803805097257 0.0423782632466 2.10972361729e-11 7.39037266071e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 67 . 2 2 93 93 ILE N N 15 0.797961691821 0.0368507640658 . . 3.36263679147e-11 1.54584132657e-11 8.01410535445e-09 5.78080052849e-09 . . . 'S2f, tf, S2, ts' 0.871338422592 0.026228470272 0.91578848256 0.0380466499342 . . . . . . . . . 26713 1 68 . 2 2 94 94 VAL N N 15 0.923193106259 0.0447354332332 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 69 . 2 2 95 95 LYS N N 15 0.894696750047 0.0446134733258 . . . . 8.87621892322e-10 3.81722517924e-10 . . . 'S2f, S2, ts' 0.937101298816 0.0386541965958 0.954749237011 0.0165387999578 . . . . . . . . . 26713 1 70 . 2 2 96 96 TRP N N 15 0.730436834584 0.0694137076985 6.58892704325e-12 5.59261442981e-12 . . . . 1.57272032404e-37 7.35787100241e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 1 71 . 2 2 96 96 TRP NE1 N 15 0.436626868083 0.224891892561 . . . . 1.48697882942e-09 1.08062117582e-09 2.41665411698e-37 1.60105203253e-37 . 'S2f, S2, ts, Rex' 0.501645789542 0.237265056952 0.870388782654 0.289745632757 . . . . . . . . . 26713 1 72 . 2 2 97 97 ASP N N 15 0.96254083022 0.0292213067851 1.2391702189e-10 2.52807556289e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 73 . 2 2 98 98 ARG N N 15 0.758959369278 0.0753413294837 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 1 74 . 2 2 99 99 ASP N N 15 0.919322611652 0.0242832287386 4.28570247004e-11 6.52800181506e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 1 75 . 2 2 100 100 MET N N 15 0.837839787326 0.0190257785217 2.23849956649e-11 4.7768771457e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 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 26713 _Order_parameter_list.ID 2 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Bond_length_val: 1.02e-10.' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '600.18 MHz R1' 1 $sample_1 . 26713 2 2 '600.18 MHz R2' . . . 26713 2 3 '600.18 MHz steady-state NOE' . . . 26713 2 4 '750.46 MHz R1' . . . 26713 2 5 '750.46 MHz R2' . . . 26713 2 6 '750.46 MHz steady-state NOE' . . . 26713 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 . . 26713 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 0.6640872833 0.012320070788 3.41519006681e-12 1.88891879764e-12 . . . . 2.56311292061e-37 2.04991088408e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 2 . 1 1 203 203 HIS N N 15 0.684121452984 0.0125078480495 5.57327799731e-12 2.20214296541e-12 . . . . 1.86713174124e-37 1.62742109316e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 3 . 1 1 206 206 HIS N N 15 0.802159593292 0.00617719732036 1.0291959372e-11 1.89247689809e-12 . . . . 4.97182005298e-38 5.7391653317e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 4 . 1 1 207 207 HIS N N 15 0.73216027503 0.00581065268493 7.58307837319e-12 1.75941485177e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 2 5 . 1 1 209 209 ILE N N 15 0.845693069713 0.00766870418363 . . . . 2.40546009284e-10 1.61156727415e-10 . . . 'S2f, S2, ts' 0.871011267834 0.0538254597385 0.964522870152 0.049850466758 . . . . . . . . . 26713 2 6 . 1 1 210 210 SER N N 15 0.663775638188 0.00651268912291 . . 1.52881646659e-11 5.45886639424e-12 2.27492934588e-09 6.906269079e-10 . . . 'S2f, tf, S2, ts' 0.784821927048 0.0100611889235 0.8429088448 0.00797866656726 . . . . . . . . . 26713 2 7 . 1 1 212 212 HIS N N 15 0.709973702869 0.0221368091003 . . . . 1.09637010532e-09 2.33391207764e-10 . . . 'S2f, S2, ts' 0.794540544438 0.0199079050507 0.899001311071 0.0163747760865 . . . . . . . . . 26713 2 8 . 1 1 213 213 GLU N N 15 0.804949355843 0.00576978413131 . . . . 1.0659496423e-09 1.21400363673e-10 . . . 'S2f, S2, ts' 0.851951375758 0.00510110777512 0.935399623187 0.00383650422614 . . . . . . . . . 26713 2 9 . 1 1 214 214 ALA N N 15 0.854916846308 0.00531007931783 . . . . 1.58396129858e-10 3.70330661783e-10 . . . 'S2f, S2, ts' 0.863430551987 0.0691398472957 0.986388482246 0.0665046476273 . . . . . . . . . 26713 2 10 . 1 1 215 215 THR N N 15 0.702453785101 0.00674165492761 5.21241585887e-12 1.34681396177e-12 . . . . 2.32228433804e-37 8.37528925149e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 11 . 1 1 216 216 LEU N N 15 0.828224300187 0.00575616727207 . . . . . . 4.97140537355e-38 6.40517386564e-39 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 12 . 1 1 218 218 CYS N N 15 0.701673612555 0.0117084146435 . . . . . . 2.49909015068e-37 1.87644056696e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 13 . 1 1 219 219 TRP N N 15 0.634683733044 0.0115559613254 3.16885991549e-12 1.49904401311e-12 . . . . 3.56160261222e-37 2.09343619894e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 14 . 1 1 220 220 ALA N N 15 0.670089051311 0.0103514499588 . . . . . . 2.59974874401e-37 1.85885343362e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 15 . 1 1 222 222 GLY N N 15 0.656022855211 0.010310664101 1.25201660263e-11 1.36436915574e-12 . . . . 1.62822906802e-37 1.23597983212e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 16 . 1 1 223 223 PHE N N 15 0.829036077043 0.0104465340195 2.37721321232e-11 3.12711186857e-12 . . . . 5.69809205073e-38 1.06555997971e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 17 . 1 1 228 228 ILE N N 15 0.691602237941 0.00881301148389 3.60564019035e-12 1.81127168388e-12 . . . . 2.53633465739e-37 1.15488331702e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 18 . 1 1 229 229 THR N N 15 0.529790892118 0.00712544873535 . . . . 1.2276833403e-09 8.73942925135e-11 . . . 'S2f, S2, ts' 0.65123439169 0.00696038070771 0.825386047706 0.00697042034803 . . . . . . . . . 26713 2 19 . 1 1 231 231 THR N N 15 0.701482373238 0.0107099602988 6.90830891246e-12 2.08956336517e-12 . . . . 2.09229716538e-37 1.34072409224e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 20 . 1 1 232 232 TRP N N 15 0.736461067759 0.00881990448308 8.87422318166e-12 1.81491489565e-12 . . . . 2.43809864774e-37 1.0840741667e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 21 . 1 1 233 233 GLN N N 15 0.827065449234 0.00607248571399 1.0354398759e-11 2.10015397993e-12 . . . . 2.67763327741e-39 4.16946213408e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 22 . 1 1 234 234 ARG N N 15 0.850669202469 0.00525743680827 2.20494688623e-11 2.43376068402e-12 . . . . 9.83931753675e-40 3.30095018474e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 23 . 1 1 235 235 ASP N N 15 0.884937991236 0.00585942359104 2.63340341603e-11 3.79095118176e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 2 24 . 1 1 236 236 GLY N N 15 0.881392676161 0.00863552908325 2.84846346787e-11 4.94926071972e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 2 25 . 1 1 237 237 GLU N N 15 0.85140610164 0.00499669898792 . . . . 6.72174281265e-10 5.63347917748e-11 . . . 'S2f, S2, ts' 0.899511069478 0.00392529678628 0.951765397197 0.00310343660677 . . . . . . . . . 26713 2 26 . 1 1 242 242 ASP N N 15 0.748017320058 0.0527360551992 . . . . 3.08874762681e-10 2.620891019e-10 1.53727613599e-37 3.51760500685e-38 . 'S2f, S2, ts, Rex' 0.799270192783 0.0904073819328 0.935895930962 0.0583435090925 . . . . . . . . . 26713 2 27 . 1 1 243 243 THR N N 15 0.685798010641 0.00986121902783 1.96982181509e-11 1.98812918304e-12 . . . . 1.62172722989e-37 1.04153616802e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 28 . 1 1 244 244 GLU N N 15 0.556781809917 0.0968319762305 . . . . 1.22684655942e-09 6.66959427682e-10 3.77079358834e-37 6.28742058117e-38 . 'S2f, S2, ts, Rex' 0.606571955721 0.105468915753 0.917205173094 0.0902109234646 . . . . . . . . . 26713 2 29 . 1 1 245 245 LEU N N 15 0.685127948326 0.00873473012685 8.42326992945e-12 1.88216916357e-12 . . . . 2.08997850971e-37 1.07074666566e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 30 . 1 1 246 246 VAL N N 15 0.647028821967 0.0094338909577 1.49685600794e-11 1.70551787019e-12 . . . . 2.22370699226e-37 1.31303236181e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 31 . 1 1 247 247 GLU N N 15 0.734609932786 0.00917792896284 7.40022293056e-12 2.09024744102e-12 . . . . 1.48994219848e-37 9.70991036236e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 32 . 1 1 249 249 ARG N N 15 0.734517004297 0.0139062783405 . . . . . . 3.57731409722e-37 2.65443154296e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 33 . 1 1 251 251 ALA N N 15 0.70617046996 0.0121615635618 . . . . . . 2.57994369294e-37 1.74101746045e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 34 . 1 1 252 252 GLY N N 15 0.745546000702 0.0244842533198 . . . . . . 1.86956544019e-37 3.01381582707e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 35 . 1 1 253 253 ASP N N 15 0.732698358959 0.0209632483218 1.72649179258e-11 4.05280815427e-12 . . . . 2.8965603371e-37 2.78927958125e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 36 . 1 1 254 254 ARG N N 15 0.573141902217 0.123763585229 . . . . 9.57783128182e-10 1.01924066265e-09 2.68470329093e-37 8.07815159132e-38 . 'S2f, S2, ts, Rex' 0.634493117174 0.133687943332 0.90211353444 0.125645931884 . . . . . . . . . 26713 2 37 . 1 1 255 255 THR N N 15 0.609987427621 0.15157670051 . . . . 1.09747023203e-09 5.22767422184e-10 1.78946608203e-37 8.82139172355e-38 . 'S2f, S2, ts, Rex' 0.713280648237 0.122891835456 0.855234670219 0.100796236352 . . . . . . . . . 26713 2 38 . 1 1 257 257 GLN N N 15 0.64691624632 0.010224825067 3.4320261967e-12 1.45463796789e-12 . . . . 3.30892853263e-37 1.77796087991e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 39 . 1 1 259 259 TRP N N 15 0.628061472179 0.0106763098798 . . . . . . 3.19612111274e-37 1.93732907041e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 40 . 1 1 261 261 ALA N N 15 0.643685346263 0.0158028852228 . . . . . . 3.26355460513e-37 2.63007552014e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 41 . 1 1 263 263 VAL N N 15 0.779256952783 0.00572943935007 9.45994437144e-12 1.44979743629e-12 . . . . 5.52015500652e-38 5.7946211142e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 42 . 1 1 267 267 GLY N N 15 0.824534489574 0.00615929298239 . . 1.45222678292e-11 5.96742406359e-12 1.84701550898e-09 2.17908660191e-09 . . . 'S2f, tf, S2, ts' 0.830609858382 0.00821854774009 0.97641360206 0.00814033558291 . . . . . . . . . 26713 2 43 . 1 1 269 269 GLU N N 15 0.838090207201 0.00752994446616 1.199878604e-11 2.64997980642e-12 . . . . 2.31620224941e-38 6.9428743452e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 44 . 1 1 270 270 GLN N N 15 0.865403627035 0.00539531754535 2.41357041092e-11 2.94454172512e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 2 45 . 1 1 271 271 ARG N N 15 0.896823952859 0.0048337285804 1.95488789974e-11 3.82771402436e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 2 46 . 1 1 272 272 TYR N N 15 0.880139869408 0.0214288694876 . . . . 3.1420498173e-10 3.48875343803e-10 2.49601422227e-38 1.34366524473e-38 . 'S2f, S2, ts, Rex' 0.894967084321 0.054183331374 0.983513471075 0.0418895612531 . . . . . . . . . 26713 2 47 . 1 1 273 273 THR N N 15 0.851031066859 0.00531370710738 1.23656775498e-11 2.33718145254e-12 . . . . 9.85179230974e-40 3.66369772659e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 48 . 1 1 274 274 CYS N N 15 0.821215092856 0.00829267624045 4.25403995607e-12 2.27777292177e-12 . . . . 1.03062749231e-37 9.13134805636e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 49 . 1 1 275 275 HIS N N 15 0.880307198098 0.00627315420992 7.50970091359e-12 2.96666331631e-12 . . . . -4.70496287481e-54 4.29632652609e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 50 . 1 1 276 276 VAL N N 15 0.86196749327 0.00814205802529 . . . . . . 1.1561636999e-38 7.94856093375e-39 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 51 . 1 1 277 277 GLN N N 15 0.85717339692 0.00505053248557 8.72294060989e-12 2.29346147069e-12 . . . . 7.99690731196e-54 3.10847557001e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 52 . 1 1 278 278 HIS N N 15 0.696006039982 0.00948315713968 1.09336727938e-11 1.82532926001e-12 . . . . 1.82524042488e-37 1.17836373592e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 53 . 1 1 279 279 GLU N N 15 0.774396398314 0.0122375246387 1.17385688955e-11 2.90688752511e-12 . . . . 4.85406657504e-38 1.16991197326e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 2 54 . 1 1 280 280 GLY N N 15 0.694628462896 0.0183417667472 . . . . . . 2.93134388691e-37 2.83968321408e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 2 55 . 1 1 281 281 LEU N N 15 0.640426863955 0.0220444594368 . . . . 3.24740162247e-08 5.07524173486e-09 . . . 'S2f, S2, ts' 0.840611019458 0.00762340681345 0.951827343681 0.0320337275076 . . . . . . . . . 26713 2 56 . 1 1 285 285 LEU N N 15 0.836737332178 0.0114757393835 9.54518440102e-12 4.83119293197e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 2 57 . 1 1 287 287 LEU N N 15 0.669876936361 0.0204448818995 . . . . 3.24740162247e-08 4.71684539104e-09 . . . 'S2f, S2, ts' 0.880276096672 0.00772842350929 0.956518976913 0.0289848070403 . . . . . . . . . 26713 2 58 . 1 1 288 288 ARG N N 15 0.814767549385 0.010038596758 . . . . 2.36295205254e-10 1.50838426538e-10 2.6985242244e-39 5.93276266578e-39 . 'S2f, S2, ts, Rex' 0.838971993009 0.0472466256646 0.970512361424 0.0423717431821 . . . . . . . . . 26713 2 59 . 1 1 289 289 TRP N N 15 0.802108791847 0.00453997537267 . . . . 4.61299499665e-10 4.67085515694e-11 . . . 'S2f, S2, ts' 0.84970337136 0.0036947400447 0.94596345392 0.00301644418001 . . . . . . . . . 26713 2 60 . 1 1 290 290 GLU N N 15 0.640840249742 0.0025867383372 . . 3.01395431472e-11 4.19945955728e-12 8.6205705922e-10 8.29670905223e-11 . . . 'S2f, tf, S2, ts' 0.741992893691 0.00910471679191 0.859919940947 0.0100313859255 . . . . . . . . . 26713 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 26713 _Order_parameter_list.ID 3 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Bond_length_val: 1.02e-10.' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '600.18 MHz R1' 1 $sample_1 . 26713 3 2 '600.18 MHz R2' . . . 26713 3 3 '600.18 MHz steady-state NOE' . . . 26713 3 4 '750.46 MHz R1' . . . 26713 3 5 '750.46 MHz R2' . . . 26713 3 6 '750.46 MHz steady-state NOE' . . . 26713 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 . . 26713 3 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 17 17 SER N N 15 0.395294611481 0.0752725326318 . . . . 1.25804941538e-09 1.17698326747e-10 2.1288342763e-37 6.12707066269e-38 . 'S2f, S2, ts, Rex' 0.60637916049 0.0623010503847 0.651893464336 0.0632796519716 . . . . . . . . . 26713 3 2 . 1 1 19 19 SER N N 15 0.878296691831 0.0130958521446 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 3 . 1 1 20 20 MET N N 15 0.879291220509 0.021950250866 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 4 . 1 1 21 21 ARG N N 15 0.927434243112 0.0297719967836 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 5 . 1 1 22 22 TYR N N 15 0.830055262157 0.0221812727455 . . . . . . 5.92847956956e-38 3.37251350047e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 6 . 1 1 23 23 PHE N N 15 0.810349657457 0.0153919574629 . . . . . . 1.20725794605e-37 2.13298926111e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 7 . 1 1 26 26 SER N N 15 0.854972069125 0.0187842722959 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 8 . 1 1 27 27 VAL N N 15 0.844309988402 0.0112033703706 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 9 . 1 1 28 28 SER N N 15 0.869991932501 0.0227536928442 2.53638050561e-11 8.90893059019e-12 . . . . 7.67423374486e-38 3.14015891338e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 10 . 1 1 31 31 GLY N N 15 0.349730690558 0.0194479754403 8.44479850157e-12 1.47433002659e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 11 . 1 1 33 33 GLY N N 15 0.820700744464 0.0365805954223 . . . . . . 2.22257579038e-37 7.14038144864e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 12 . 1 1 34 34 GLU N N 15 0.337603691844 0.167745840035 . . 1.13615854735e-11 4.49114683851e-12 6.66549105496e-09 7.94606451663e-09 1.71776370201e-37 6.38351144133e-38 . 'S2f, tf, S2, ts, Rex' 0.565195792619 0.0662844376657 0.597321665581 0.269798502742 . . . . . . . . . 26713 3 13 . 1 1 36 36 ARG N N 15 0.860877366497 0.0202400428829 . . . . 1.17486902581e-09 2.75900204741e-09 . . . 'S2f, S2, ts' 0.879475982114 0.0222128421668 0.978852616791 0.0155446286137 . . . . . . . . . 26713 3 14 . 1 1 37 37 PHE N N 15 0.65981708026 0.110180591641 . . . . 1.77621383515e-09 1.1339568369e-09 1.42031675025e-37 8.0248609622e-38 . 'S2f, S2, ts, Rex' 0.72013265033 0.086453311597 0.916243805857 0.0566096750624 . . . . . . . . . 26713 3 15 . 1 1 38 38 ILE N N 15 0.843464470542 0.0139827091091 . . . . . . 7.15999836868e-38 2.10267086247e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 16 . 1 1 41 41 GLY N N 15 0.872172424438 0.0173595152165 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 17 . 1 1 42 42 TYR N N 15 0.800060983629 0.0136699284506 . . . . . . 7.1093893564e-38 2.15756843104e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 18 . 1 1 44 44 ASP N N 15 0.82375602206 0.0138449317374 . . . . . . 9.42427138197e-38 2.04839387522e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 19 . 1 1 45 45 ASP N N 15 0.716251416529 0.0185401850992 5.82666399109e-12 3.41175292374e-12 . . . . 2.32704909637e-37 2.45768263594e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 20 . 1 1 46 46 THR N N 15 0.89029592453 0.0168876314387 1.63901348465e-11 8.77077809623e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 21 . 1 1 47 47 LEU N N 15 0.833107064359 0.0135714863966 1.31043400777e-11 3.41607657271e-12 . . . . 7.08327475315e-38 2.20187969586e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 22 . 1 1 49 49 VAL N N 15 0.797369733501 0.0550727813841 . . . . . . 4.72711634903e-37 7.98052951294e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 23 . 1 1 50 50 ARG N N 15 0.427278424271 0.00681136070681 . . . . 1.53962545755e-09 1.2000247912e-10 . . . 'S2f, S2, ts' 0.580670385346 0.00779800934651 0.735836431521 0.00818144513251 . . . . . . . . . 26713 3 24 . 1 1 52 52 ASP N N 15 0.836301711159 0.0118343534029 . . . . . . 2.40260020225e-38 1.3076235739e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 25 . 1 1 53 53 SER N N 15 0.823748625079 0.0158560006857 . . . . . . 8.38139361719e-38 2.0855956606e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 26 . 1 1 54 54 ASP N N 15 0.842339331278 0.0190031080957 . . . . . . 8.77764900973e-38 2.50756391565e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 27 . 1 1 55 55 ALA N N 15 0.681373533085 0.00813067869512 . . 3.51769051957e-11 1.40665932163e-11 6.47303087569e-10 2.52639654642e-10 . . . 'S2f, tf, S2, ts' 0.774326566736 0.0237916308832 0.879956290222 0.0260581821474 . . . . . . . . . 26713 3 28 . 1 1 56 56 ALA N N 15 4.35983616072e-15 0.0483016267827 . . . . 8.2451694987e-10 2.20681270736e-11 1.06531289847e-37 4.20237613001e-38 . 'S2f, S2, ts, Rex' 0.640585382807 0.0376648270657 -3.7322126283e-17 0.0664693978428 . . . . . . . . . 26713 3 29 . 1 1 57 57 SER N N 15 0.699911373752 0.0247580452517 3.6228092961e-11 6.05345429249e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 30 . 1 1 63 63 ARG N N 15 0.828287998544 0.0301085138305 2.52846471521e-11 9.6797369933e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 31 . 1 1 64 64 ALA N N 15 0.725081092806 0.0245420737098 . . . . . . 1.66060689301e-37 4.11127686071e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 32 . 1 1 66 66 TRP N N 15 0.873957684339 0.0257703470152 . . . . . . 8.93716587072e-38 3.87983117554e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 33 . 1 1 67 67 ILE N N 15 0.919138188922 0.0294466766403 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 34 . 1 1 71 71 GLY N N 15 0.637740724232 0.0112935234115 . . . . 2.03367182246e-09 6.49565075628e-10 . . . 'S2f, S2, ts' 0.728574821631 0.00965405518253 0.87532632929 0.00823495692122 . . . . . . . . . 26713 3 35 . 1 1 73 73 GLU N N 15 0.771965328589 0.0254783492028 . . . . . . 1.57889456137e-37 2.35448738977e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 36 . 1 1 74 74 TYR N N 15 0.791753441652 0.0144157454839 6.48423456771e-12 3.83526085395e-12 . . . . 1.50060976552e-37 1.85005471317e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 37 . 1 1 78 78 GLU N N 15 0.892477856497 0.00491603058526 7.52018134763e-12 2.61525377863e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 38 . 1 1 80 80 GLN N N 15 0.325200703566 0.0714650100175 . . . . 5.72578984044e-09 3.88653544145e-09 . . . 'S2f, S2, ts' 0.604219016572 0.0293373072728 0.538216598032 0.126753299491 . . . . . . . . . 26713 3 39 . 1 1 83 83 LYS N N 15 0.75911045885 0.0323551758881 . . . . . . 1.90292995081e-37 5.29288807568e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 40 . 1 1 86 86 ALA N N 15 0.835550503661 0.0122004988069 . . . . . . 9.30504774361e-38 3.22328982268e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 41 . 1 1 89 89 ASP N N 15 0.837934076752 0.0318618172091 . . . . . . 1.92190511962e-37 4.88279026934e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 42 . 1 1 90 90 ARG N N 15 0.855753874553 0.0173785771261 . . . . . . 8.61068351552e-38 2.49772991637e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 43 . 1 1 91 91 GLU N N 15 0.804000017534 0.0247438957948 . . . . . . 1.67129019312e-37 3.94620456765e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 44 . 1 1 93 93 LEU N N 15 2.88829437409e-12 0.0464467327573 . . 3.43948606903e-11 2.82278046645e-12 1.14476338532e-08 2.32769012415e-09 . . . 'S2f, tf, S2, ts' 0.518276121165 0.0246426453159 -5.43023311398e-18 0.100850982333 . . . . . . . . . 26713 3 45 . 1 1 94 94 ARG N N 15 0.864461321662 0.0289532973262 . . . . . . 7.21355152367e-38 4.04972213228e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 46 . 1 1 99 99 TYR N N 15 0.806669049391 0.01355328457 . . . . . . 1.4339414373e-37 1.98485525415e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 47 . 1 1 100 100 TYR N N 15 0.824283781052 0.0134251923593 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 48 . 1 1 102 102 GLN N N 15 0.820532551192 0.012782800885 . . . . . . 7.94788334664e-38 1.76877305258e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 49 . 1 1 106 106 GLY N N 15 0.484370458678 0.0295301904154 . . . . 5.82114074742e-10 1.45606610277e-10 . . . 'S2f, S2, ts' 0.645950035818 0.0614741860417 0.749857468565 0.0592693592112 . . . . . . . . . 26713 3 50 . 1 1 107 107 SER N N 15 0.690985050614 0.0261499639162 . . . . 9.33332118208e-10 4.11102277605e-10 . . . 'S2f, S2, ts' 0.7333795149 0.0471856462244 0.94219300727 0.0366107255101 . . . . . . . . . 26713 3 51 . 1 1 108 108 HIS N N 15 0.58282154971 0.0120379356516 . . . . 1.03267936744e-09 1.07354187603e-10 . . . 'S2f, S2, ts' 0.678746362995 0.0109311790279 0.858673550954 0.00902765012986 . . . . . . . . . 26713 3 52 . 1 1 109 109 THR N N 15 0.831767146826 0.0112379281103 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 53 . 1 1 110 110 LEU N N 15 0.909698372806 0.0260530560903 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 54 . 1 1 111 111 GLN N N 15 0.828055946117 0.0218061192359 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 55 . 1 1 112 112 ASN N N 15 0.83468860852 0.0411421891531 . . . . . . 9.06922253852e-38 5.12323936154e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 56 . 1 1 113 113 MET N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 3 57 . 1 1 114 114 TYR N N 15 0.910552751267 0.0135201858722 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 58 . 1 1 115 115 GLY N N 15 0.899294431033 0.0321271608907 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 59 . 1 1 116 116 CYS N N 15 0.88703117415 0.0225556089994 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 60 . 1 1 117 117 ASP N N 15 0.822085416069 0.0205692690843 . . . . . . 1.14802834486e-37 3.50926482971e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 61 . 1 1 118 118 VAL N N 15 0.89352230941 0.0155307398573 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 62 . 1 1 119 119 GLY N N 15 0.855883647836 0.0124397696401 2.36430720793e-11 4.77975354582e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 63 . 1 1 121 121 ASP N N 15 0.764157606278 0.0166827665972 . . . . 9.89168084413e-10 2.15737150242e-10 . . . 'S2f, S2, ts' 0.82786397584 0.0139120479256 0.923047298323 0.0100762514645 . . . . . . . . . 26713 3 64 . 1 1 122 122 GLY N N 15 0.492639949668 0.122616221399 . . . . 1.71907408931e-09 4.95954497604e-10 2.62512936424e-37 9.9090773625e-38 . 'S2f, S2, ts, Rex' 0.598780065716 0.0984645625604 0.822739396106 0.0849343442227 . . . . . . . . . 26713 3 65 . 1 1 125 125 LEU N N 15 0.288591191658 0.235653714459 . . . . 3.23841020558e-09 2.6960634341e-09 4.68075849609e-37 1.98598156192e-37 . 'S2f, S2, ts, Rex' 0.439750312524 0.17506457171 0.65626148166 0.336901664316 . . . . . . . . . 26713 3 66 . 1 1 127 127 GLY N N 15 0.766708670462 0.0340182410492 . . . . 1.42782854479e-09 1.46475474387e-09 . . . 'S2f, S2, ts' 0.813841558308 0.0264334264711 0.942085916645 0.0168126765689 . . . . . . . . . 26713 3 67 . 1 1 130 130 GLN N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26713 3 68 . 1 1 131 131 HIS N N 15 0.843181484244 0.045130808158 . . . . . . 1.94867358427e-37 7.85720889367e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 69 . 1 1 133 133 TYR N N 15 0.657727590619 0.0136202380045 . . . . 8.85241282281e-10 1.74014198205e-10 . . . 'S2f, S2, ts' 0.724373753134 0.0123918929934 0.907994785528 0.00979598176895 . . . . . . . . . 26713 3 70 . 1 1 134 134 ASP N N 15 0.888297129835 0.02237911935 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 71 . 1 1 135 135 GLY N N 15 0.870079777781 0.0536261351068 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 72 . 1 1 138 138 TYR N N 15 0.76383290857 0.0257436417356 8.75865904811e-12 4.98187982239e-12 . . . . 8.81539087701e-38 4.00760682356e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 73 . 1 1 139 139 ILE N N 15 0.824956678526 0.0352981527724 . . . . . . 7.7702464638e-38 4.54899161332e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 74 . 1 1 140 140 ALA N N 15 0.848989369283 0.0362151385579 . . . . . . 1.04258737659e-37 5.6808855652e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 75 . 1 1 141 141 LEU N N 15 0.86519654548 0.0234554598784 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 76 . 1 1 142 142 ASN N N 15 0.776575443994 0.0150999573 8.40659370665e-12 3.22024087566e-12 . . . . 1.97580585832e-37 2.47129674618e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 77 . 1 1 143 143 GLU N N 15 0.828222855618 0.0291933596262 . . . . . . 7.74545772967e-38 2.8255835674e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 78 . 1 1 144 144 ASP N N 15 0.85639922432 0.014361711546 1.13360470863e-11 5.50778669808e-12 . . . . 7.09627876918e-38 1.52784921129e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 79 . 1 1 145 145 LEU N N 15 0.902044875777 0.0143505474259 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 80 . 1 1 146 146 SER N N 15 0.796636206058 0.0245012394784 1.11461206299e-11 5.23023808336e-12 . . . . 1.0596341087e-37 3.38303364483e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 81 . 1 1 147 147 SER N N 15 0.490056736702 0.0271825619566 . . 2.36935263891e-11 8.50591363986e-12 6.38818535946e-09 3.04903453011e-09 . . . 'S2f, tf, S2, ts' 0.54006040344 0.0342808528048 0.907410973996 0.0399831362731 . . . . . . . . . 26713 3 82 . 1 1 148 148 TRP N N 15 0.735010821717 0.00967025163716 4.4920470798e-12 1.90009981346e-12 . . . . 1.67790243273e-37 1.26635081364e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 83 . 1 1 149 149 THR N N 15 0.779829361026 0.0112813307694 8.48391604556e-12 2.6416481525e-12 . . . . 4.90330673725e-38 1.3668505713e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 84 . 1 1 150 150 ALA N N 15 0.831153470827 0.0160162240583 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 85 . 1 1 151 151 ALA N N 15 1.66954683757e-15 0.0936123974033 . . 3.96220993976e-11 6.41687317661e-12 1.77931691198e-08 4.41423865022e-09 . . . 'S2f, tf, S2, ts' 0.695276826161 0.0392050267986 -2.89613531586e-15 0.154839883957 . . . . . . . . . 26713 3 86 . 1 1 152 152 ASP N N 15 0.639097463099 0.0605761299697 . . . . 1.27768131657e-09 2.74939811876e-10 1.00379435665e-37 4.53912596295e-38 . 'S2f, S2, ts, Rex' 0.705655349613 0.0491706544234 0.905679328371 0.0243211549279 . . . . . . . . . 26713 3 87 . 1 1 153 153 THR N N 15 0.851231239527 0.0448197539532 3.45827165119e-11 8.61663300161e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 88 . 1 1 154 154 ALA N N 15 0.740300547341 0.0882805377159 . . . . 1.20346983045e-09 4.23035120973e-10 1.07344052444e-37 7.49629537255e-38 . 'S2f, S2, ts, Rex' 0.800624649184 0.0719084642178 0.924653703949 0.031978725245 . . . . . . . . . 26713 3 89 . 1 1 156 156 GLN N N 15 0.819629338758 0.0154027991773 6.55178813728e-12 3.9532083927e-12 . . . . 9.51739804211e-38 2.0520106657e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 90 . 1 1 157 157 ILE N N 15 0.797098103878 0.016926909851 8.61370717033e-12 3.64123024955e-12 . . . . 7.54070166021e-38 2.815051779e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 91 . 1 1 158 158 THR N N 15 0.8163371913 0.0207386730267 . . . . . . 6.07036998901e-38 3.00274111875e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 92 . 1 1 160 160 ARG N N 15 0.806699155407 0.0247841254521 8.5813415629e-12 5.40490542073e-12 . . . . 1.29748896051e-37 3.6503295267e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 93 . 1 1 161 161 LYS N N 15 0.86986527007 0.0171838521484 . . . . . . 7.45951613771e-38 3.2176239107e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 94 . 1 1 162 162 TRP N N 15 0.916751416419 0.0366747304466 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 95 . 1 1 163 163 GLU N N 15 0.843217118173 0.0198561785431 . . . . . . 1.22449253492e-37 3.18374561592e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 96 . 1 1 165 165 ALA N N 15 0.841485771729 0.0116229262575 7.677289075e-12 3.9002976289e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 97 . 1 1 166 166 ARG N N 15 0.859440036298 0.0147591357584 9.46928759053e-12 5.59011854154e-12 . . . . 4.14077137831e-38 1.82250816899e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 98 . 1 1 167 167 VAL N N 15 0.961921447044 0.0151666152533 . . . . . . 9.10935959921e-38 2.02278464401e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 99 . 1 1 172 172 ARG N N 15 0.856306533054 0.048920224447 1.7010651268e-11 1.0188330415e-10 . . . . 1.59224597736e-37 6.57477078911e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 100 . 1 1 173 173 ALA N N 15 0.764439021889 0.0196634243695 1.27627724925e-11 2.43125780816e-12 . . . . 8.95997844916e-38 1.56677478222e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 101 . 1 1 176 176 GLU N N 15 0.678726859071 0.0326092579824 5.78299117726e-12 3.23808538207e-12 . . . . 1.50461398397e-37 4.17353095489e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 102 . 1 1 177 177 GLY N N 15 0.708273678982 0.0181816750047 8.11609329709e-12 2.70581430003e-12 . . . . 2.04193899287e-37 2.78876949536e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 103 . 1 1 178 178 GLU N N 15 0.226817673317 0.232794823766 . . . . 2.29213642053e-09 1.52420654485e-09 6.13462307959e-37 1.74694390877e-37 . 'S2f, S2, ts, Rex' 0.342402402007 0.219868325359 0.662430146483 0.379262830554 . . . . . . . . . 26713 3 104 . 1 1 179 179 CYS N N 15 0.758697294931 0.046561755628 . . . . . . 2.58601827889e-37 6.30746967092e-38 . 'S2, Rex' . . . . . . . . . . . . . 26713 3 105 . 1 1 180 180 VAL N N 15 0.604245192268 0.178617143867 . . . . 1.18271466319e-09 1.14595405542e-09 2.66830773135e-37 1.50925741138e-37 . 'S2f, S2, ts, Rex' 0.661727872937 0.161370158575 0.913132447612 0.145227962532 . . . . . . . . . 26713 3 106 . 1 1 181 181 GLU N N 15 0.867688804586 0.020624233024 . . . . . . . . . S2 . . . . . . . . . . . . . 26713 3 107 . 1 1 190 190 GLY N N 15 0.746000338797 0.0239599916863 9.56558742915e-12 3.48317902794e-12 . . . . 1.19180709618e-37 3.76864232829e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26713 3 108 . 1 1 191 191 LYS N N 15 0.934949576234 0.0158956313668 3.5411527279e-11 1.61291801492e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 109 . 1 1 192 192 GLU N N 15 0.929691368776 0.0197237386761 3.74591127533e-11 3.29680521789e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26713 3 110 . 1 1 193 193 THR N N 15 0.377216497542 0.286992621071 . . . . 1.91734356822e-09 1.31488747073e-09 6.1477776442e-37 2.30200056913e-37 . 'S2f, S2, ts, Rex' 0.51157947055 0.231714313631 0.737356597127 0.349082617567 . . . . . . . . . 26713 3 stop_ save_ save_Tensor_data_b2m _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_b2m _Tensor_list.Entry_ID 26713 _Tensor_list.ID 1 _Tensor_list.Tensor_type diffusion _Tensor_list.Tensor_shape . _Tensor_list.Matrix_val_units s-1 _Tensor_list.Isotropic_val_type . _Tensor_list.Angle_units rad _Tensor_list.Isotropic_val_formula 'Diso = 1/(6.tm)' _Tensor_list.Anisotropic_val_formula 'Da = Dpar - Dper' _Tensor_list.Rhombic_val_formula 'Dr = (Dy - Dx)/2Da' _Tensor_list.Euler_angle_type zyz _Tensor_list.Details . loop_ _Tensor.ID _Tensor.Interatomic_distance_list_ID _Tensor.Interatomic_dist_set_ID _Tensor.Calc_type_ID _Tensor.Assembly_atom_ID _Tensor.Entity_assembly_ID _Tensor.Entity_ID _Tensor.Comp_index_ID _Tensor.Seq_ID _Tensor.Comp_ID _Tensor.Atom_ID _Tensor.Atom_type _Tensor.Atom_isotope_number _Tensor.Axial_sym_axis_polar_angle _Tensor.Axial_sym_axis_aximuthal_angle _Tensor.Isotropic_val _Tensor.Anisotropic_val _Tensor.Rhombic_val _Tensor.Euler_angle_alpha _Tensor.Euler_angle_beta _Tensor.Euler_angle_gamma _Tensor.Isotropic_comp_1_1_val _Tensor.Isotropic_comp_2_2_val _Tensor.Isotropic_comp_3_3_val _Tensor.Anti_sym_comp_1_2_val _Tensor.Anti_sym_comp_1_3_val _Tensor.Anti_sym_comp_2_3_val _Tensor.Sym_traceless_comp_1_1_val _Tensor.Sym_traceless_comp_1_2_val _Tensor.Sym_traceless_comp_1_3_val _Tensor.Sym_traceless_comp_2_2_val _Tensor.Sym_traceless_comp_2_3_val _Tensor.Reduceable_matrix_1_1_val _Tensor.Reduceable_matrix_1_2_val _Tensor.Reduceable_matrix_1_3_val _Tensor.Reduceable_matrix_2_1_val _Tensor.Reduceable_matrix_2_2_val _Tensor.Reduceable_matrix_2_3_val _Tensor.Reduceable_matrix_3_1_val _Tensor.Reduceable_matrix_3_2_val _Tensor.Reduceable_matrix_3_3_val _Tensor.Auth_entity_assembly_ID _Tensor.Auth_seq_ID _Tensor.Auth_comp_ID _Tensor.Auth_atom_ID _Tensor.Entry_ID _Tensor.Tensor_list_ID 1 . . . . 2 2 3 3 GLN N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 2 . . . . 2 2 8 8 ILE N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 3 . . . . 2 2 9 9 GLN N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 4 . . . . 2 2 12 12 SER N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 5 . . . . 2 2 13 13 ARG N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 6 . . . . 2 2 14 14 HIS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 7 . . . . 2 2 17 17 GLU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 8 . . . . 2 2 19 19 GLY N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 9 . . . . 2 2 20 20 LYS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 10 . . . . 2 2 23 23 PHE N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 11 . . . . 2 2 25 25 ASN N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 12 . . . . 2 2 26 26 CYS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 13 . . . . 2 2 27 27 TYR N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 14 . . . . 2 2 29 29 SER N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 15 . . . . 2 2 30 30 GLY N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 16 . . . . 2 2 31 31 PHE N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 17 . . . . 2 2 34 34 SER N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 18 . . . . 2 2 35 35 ASP N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 19 . . . . 2 2 37 37 GLU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 20 . . . . 2 2 38 38 VAL N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 21 . . . . 2 2 40 40 LEU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 22 . . . . 2 2 41 41 LEU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 23 . . . . 2 2 43 43 ASN N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 24 . . . . 2 2 44 44 GLY N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 25 . . . . 2 2 45 45 GLU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 26 . . . . 2 2 46 46 ARG N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 27 . . . . 2 2 47 47 ILE N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 28 . . . . 2 2 48 48 GLU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 29 . . . . 2 2 49 49 LYS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 30 . . . . 2 2 51 51 GLU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 31 . . . . 2 2 52 52 HIS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 32 . . . . 2 2 53 53 SER N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 33 . . . . 2 2 54 54 ASP N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 34 . . . . 2 2 55 55 LEU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 35 . . . . 2 2 56 56 SER N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 36 . . . . 2 2 57 57 PHE N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 37 . . . . 2 2 58 58 SER N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 38 . . . . 2 2 60 60 ASP N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 39 . . . . 2 2 61 61 TRP N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 40 . . . . 2 2 61 61 TRP NE1 N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 41 . . . . 2 2 62 62 SER N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 42 . . . . 2 2 63 63 PHE N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 43 . . . . 2 2 64 64 TYR N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 44 . . . . 2 2 65 65 LEU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 45 . . . . 2 2 66 66 LEU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 46 . . . . 2 2 67 67 TYR N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 47 . . . . 2 2 68 68 TYR N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 48 . . . . 2 2 69 69 THR N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 49 . . . . 2 2 70 70 GLU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 50 . . . . 2 2 71 71 PHE N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 51 . . . . 2 2 72 72 THR N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 52 . . . . 2 2 74 74 THR N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 53 . . . . 2 2 75 75 GLU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 54 . . . . 2 2 76 76 LYS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 55 . . . . 2 2 77 77 ASP N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 56 . . . . 2 2 79 79 TYR N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 57 . . . . 2 2 81 81 CYS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 58 . . . . 2 2 82 82 ARG N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 59 . . . . 2 2 83 83 VAL N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 60 . . . . 2 2 84 84 ASN N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 61 . . . . 2 2 85 85 HIS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 62 . . . . 2 2 86 86 VAL N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 63 . . . . 2 2 87 87 THR N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 64 . . . . 2 2 88 88 LEU N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 65 . . . . 2 2 90 90 GLN N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 66 . . . . 2 2 92 92 LYS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 67 . . . . 2 2 93 93 ILE N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 68 . . . . 2 2 94 94 VAL N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 69 . . . . 2 2 95 95 LYS N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 70 . . . . 2 2 96 96 TRP N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 71 . . . . 2 2 96 96 TRP NE1 N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 72 . . . . 2 2 97 97 ASP N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 73 . . . . 2 2 98 98 ARG N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 74 . . . . 2 2 99 99 ASP N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 75 . . . . 2 2 100 100 MET N N 15 . . 8317669.05486 . 0.180468741554 1.64733042899 2.66806855037 2.85741841784 . . . . . . . . . . . 8203549.83251 478825.992414 -952822.271339 478825.992414 6971959.44395 -239809.160206 -952822.271339 -239809.160206 9777497.88812 . . . . 26713 1 stop_ save_ save_Tensor_data_bottom _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_bottom _Tensor_list.Entry_ID 26713 _Tensor_list.ID 2 _Tensor_list.Tensor_type diffusion _Tensor_list.Tensor_shape . _Tensor_list.Matrix_val_units s-1 _Tensor_list.Isotropic_val_type . _Tensor_list.Angle_units rad _Tensor_list.Isotropic_val_formula 'Diso = 1/(6.tm)' _Tensor_list.Anisotropic_val_formula 'Da = Dpar - Dper' _Tensor_list.Rhombic_val_formula 'Dr = (Dy - Dx)/2Da' _Tensor_list.Euler_angle_type zyz _Tensor_list.Details 'Axial_sym_axis_azimuthal_angle: 2.55681968833.' 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 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 2 . . . . 1 1 203 203 HIS N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 3 . . . . 1 1 206 206 HIS N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 4 . . . . 1 1 207 207 HIS N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 5 . . . . 1 1 209 209 ILE N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 6 . . . . 1 1 210 210 SER N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 7 . . . . 1 1 212 212 HIS N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 8 . . . . 1 1 213 213 GLU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 9 . . . . 1 1 214 214 ALA N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 10 . . . . 1 1 215 215 THR N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 11 . . . . 1 1 216 216 LEU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 12 . . . . 1 1 218 218 CYS N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 13 . . . . 1 1 219 219 TRP N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 14 . . . . 1 1 220 220 ALA N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 15 . . . . 1 1 222 222 GLY N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 16 . . . . 1 1 223 223 PHE N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 17 . . . . 1 1 228 228 ILE N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 18 . . . . 1 1 229 229 THR N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 19 . . . . 1 1 231 231 THR N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 20 . . . . 1 1 232 232 TRP N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 21 . . . . 1 1 233 233 GLN N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 22 . . . . 1 1 234 234 ARG N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 23 . . . . 1 1 235 235 ASP N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 24 . . . . 1 1 236 236 GLY N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 25 . . . . 1 1 237 237 GLU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 26 . . . . 1 1 242 242 ASP N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 27 . . . . 1 1 243 243 THR N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 28 . . . . 1 1 244 244 GLU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 29 . . . . 1 1 245 245 LEU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 30 . . . . 1 1 246 246 VAL N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 31 . . . . 1 1 247 247 GLU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 32 . . . . 1 1 249 249 ARG N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 33 . . . . 1 1 251 251 ALA N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 34 . . . . 1 1 252 252 GLY N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 35 . . . . 1 1 253 253 ASP N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 36 . . . . 1 1 254 254 ARG N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 37 . . . . 1 1 255 255 THR N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 38 . . . . 1 1 257 257 GLN N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 39 . . . . 1 1 259 259 TRP N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 40 . . . . 1 1 261 261 ALA N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 41 . . . . 1 1 263 263 VAL N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 42 . . . . 1 1 267 267 GLY N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 43 . . . . 1 1 269 269 GLU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 44 . . . . 1 1 270 270 GLN N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 45 . . . . 1 1 271 271 ARG N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 46 . . . . 1 1 272 272 TYR N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 47 . . . . 1 1 273 273 THR N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 48 . . . . 1 1 274 274 CYS N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 49 . . . . 1 1 275 275 HIS N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 50 . . . . 1 1 276 276 VAL N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 51 . . . . 1 1 277 277 GLN N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 52 . . . . 1 1 278 278 HIS N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 53 . . . . 1 1 279 279 GLU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 54 . . . . 1 1 280 280 GLY N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 55 . . . . 1 1 281 281 LEU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 56 . . . . 1 1 285 285 LEU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 57 . . . . 1 1 287 287 LEU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 58 . . . . 1 1 288 288 ARG N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 59 . . . . 1 1 289 289 TRP N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 60 . . . . 1 1 290 290 GLU N N 15 1.02485114304 . 10264616.8255 2137907.99254 . . . . . . . . . . . . . . . 10637693.9208 -718754.705244 791058.438115 -718754.705244 10027804.8093 -523689.894029 791058.438115 -523689.894029 10128351.7465 . . . . 26713 2 stop_ save_ save_Tensor_data_top _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode Tensor_data_top _Tensor_list.Entry_ID 26713 _Tensor_list.ID 3 _Tensor_list.Tensor_type diffusion _Tensor_list.Tensor_shape . _Tensor_list.Matrix_val_units s-1 _Tensor_list.Isotropic_val_type . _Tensor_list.Angle_units rad _Tensor_list.Isotropic_val_formula 'Diso = 1/(6.tm)' _Tensor_list.Anisotropic_val_formula 'Da = Dpar - Dper' _Tensor_list.Rhombic_val_formula 'Dr = (Dy - Dx)/2Da' _Tensor_list.Euler_angle_type zyz _Tensor_list.Details . loop_ _Tensor.ID _Tensor.Interatomic_distance_list_ID _Tensor.Interatomic_dist_set_ID _Tensor.Calc_type_ID _Tensor.Assembly_atom_ID _Tensor.Entity_assembly_ID _Tensor.Entity_ID _Tensor.Comp_index_ID _Tensor.Seq_ID _Tensor.Comp_ID _Tensor.Atom_ID _Tensor.Atom_type _Tensor.Atom_isotope_number _Tensor.Axial_sym_axis_polar_angle _Tensor.Axial_sym_axis_aximuthal_angle _Tensor.Isotropic_val _Tensor.Anisotropic_val _Tensor.Rhombic_val _Tensor.Euler_angle_alpha _Tensor.Euler_angle_beta _Tensor.Euler_angle_gamma _Tensor.Isotropic_comp_1_1_val _Tensor.Isotropic_comp_2_2_val _Tensor.Isotropic_comp_3_3_val _Tensor.Anti_sym_comp_1_2_val _Tensor.Anti_sym_comp_1_3_val _Tensor.Anti_sym_comp_2_3_val _Tensor.Sym_traceless_comp_1_1_val _Tensor.Sym_traceless_comp_1_2_val _Tensor.Sym_traceless_comp_1_3_val _Tensor.Sym_traceless_comp_2_2_val _Tensor.Sym_traceless_comp_2_3_val _Tensor.Reduceable_matrix_1_1_val _Tensor.Reduceable_matrix_1_2_val _Tensor.Reduceable_matrix_1_3_val _Tensor.Reduceable_matrix_2_1_val _Tensor.Reduceable_matrix_2_2_val _Tensor.Reduceable_matrix_2_3_val _Tensor.Reduceable_matrix_3_1_val _Tensor.Reduceable_matrix_3_2_val _Tensor.Reduceable_matrix_3_3_val _Tensor.Auth_entity_assembly_ID _Tensor.Auth_seq_ID _Tensor.Auth_comp_ID _Tensor.Auth_atom_ID _Tensor.Entry_ID _Tensor.Tensor_list_ID 1 . . . . 1 1 17 17 SER N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 2 . . . . 1 1 19 19 SER N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 3 . . . . 1 1 20 20 MET N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 4 . . . . 1 1 21 21 ARG N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 5 . . . . 1 1 22 22 TYR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 6 . . . . 1 1 23 23 PHE N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 7 . . . . 1 1 26 26 SER N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 8 . . . . 1 1 27 27 VAL N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 9 . . . . 1 1 28 28 SER N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 10 . . . . 1 1 31 31 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 11 . . . . 1 1 33 33 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 12 . . . . 1 1 34 34 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 13 . . . . 1 1 36 36 ARG N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 14 . . . . 1 1 37 37 PHE N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 15 . . . . 1 1 38 38 ILE N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 16 . . . . 1 1 41 41 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 17 . . . . 1 1 42 42 TYR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 18 . . . . 1 1 44 44 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 19 . . . . 1 1 45 45 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 20 . . . . 1 1 46 46 THR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 21 . . . . 1 1 47 47 LEU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 22 . . . . 1 1 49 49 VAL N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 23 . . . . 1 1 50 50 ARG N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 24 . . . . 1 1 52 52 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 25 . . . . 1 1 53 53 SER N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 26 . . . . 1 1 54 54 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 27 . . . . 1 1 55 55 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 28 . . . . 1 1 56 56 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 29 . . . . 1 1 57 57 SER N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 30 . . . . 1 1 63 63 ARG N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 31 . . . . 1 1 64 64 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 32 . . . . 1 1 66 66 TRP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 33 . . . . 1 1 67 67 ILE N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 34 . . . . 1 1 71 71 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 35 . . . . 1 1 73 73 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 36 . . . . 1 1 74 74 TYR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 37 . . . . 1 1 78 78 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 38 . . . . 1 1 80 80 GLN N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 39 . . . . 1 1 83 83 LYS N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 40 . . . . 1 1 86 86 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 41 . . . . 1 1 89 89 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 42 . . . . 1 1 90 90 ARG N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 43 . . . . 1 1 91 91 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 44 . . . . 1 1 93 93 LEU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 45 . . . . 1 1 94 94 ARG N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 46 . . . . 1 1 99 99 TYR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 47 . . . . 1 1 100 100 TYR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 48 . . . . 1 1 102 102 GLN N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 49 . . . . 1 1 106 106 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 50 . . . . 1 1 107 107 SER N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 51 . . . . 1 1 108 108 HIS N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 52 . . . . 1 1 109 109 THR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 53 . . . . 1 1 110 110 LEU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 54 . . . . 1 1 111 111 GLN N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 55 . . . . 1 1 112 112 ASN N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 56 . . . . 1 1 113 113 MET N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 57 . . . . 1 1 114 114 TYR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 58 . . . . 1 1 115 115 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 59 . . . . 1 1 116 116 CYS N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 60 . . . . 1 1 117 117 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 61 . . . . 1 1 118 118 VAL N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 62 . . . . 1 1 119 119 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 63 . . . . 1 1 121 121 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 64 . . . . 1 1 122 122 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 65 . . . . 1 1 125 125 LEU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 66 . . . . 1 1 127 127 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 67 . . . . 1 1 130 130 GLN N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 68 . . . . 1 1 131 131 HIS N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 69 . . . . 1 1 133 133 TYR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 70 . . . . 1 1 134 134 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 71 . . . . 1 1 135 135 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 72 . . . . 1 1 138 138 TYR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 73 . . . . 1 1 139 139 ILE N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 74 . . . . 1 1 140 140 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 75 . . . . 1 1 141 141 LEU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 76 . . . . 1 1 142 142 ASN N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 77 . . . . 1 1 143 143 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 78 . . . . 1 1 144 144 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 79 . . . . 1 1 145 145 LEU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 80 . . . . 1 1 146 146 SER N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 81 . . . . 1 1 147 147 SER N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 82 . . . . 1 1 148 148 TRP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 83 . . . . 1 1 149 149 THR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 84 . . . . 1 1 150 150 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 85 . . . . 1 1 151 151 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 86 . . . . 1 1 152 152 ASP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 87 . . . . 1 1 153 153 THR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 88 . . . . 1 1 154 154 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 89 . . . . 1 1 156 156 GLN N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 90 . . . . 1 1 157 157 ILE N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 91 . . . . 1 1 158 158 THR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 92 . . . . 1 1 160 160 ARG N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 93 . . . . 1 1 161 161 LYS N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 94 . . . . 1 1 162 162 TRP N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 95 . . . . 1 1 163 163 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 96 . . . . 1 1 165 165 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 97 . . . . 1 1 166 166 ARG N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 98 . . . . 1 1 167 167 VAL N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 99 . . . . 1 1 172 172 ARG N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 100 . . . . 1 1 173 173 ALA N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 101 . . . . 1 1 176 176 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 102 . . . . 1 1 177 177 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 103 . . . . 1 1 178 178 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 104 . . . . 1 1 179 179 CYS N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 105 . . . . 1 1 180 180 VAL N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 106 . . . . 1 1 181 181 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 107 . . . . 1 1 190 190 GLY N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 108 . . . . 1 1 191 191 LYS N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 109 . . . . 1 1 192 192 GLU N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 110 . . . . 1 1 193 193 THR N N 15 . . 8480417.73877 . 0.40038628363 1.86983350961 2.30364542486 2.04306642299 . . . . . . . . . . . 6752539.60376 993506.500418 -906423.231128 993506.500418 9312605.40405 -663640.75902 -906423.231128 -663640.75902 9376108.2085 . . . . 26713 3 stop_ save_