data_27722 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27722 _Entry.Title ; Backbone, methyl and Arg Ne chemical shift assignments, relaxation data and order parameters of Galectin-3 bound to R ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-10 _Entry.Accession_date 2018-12-10 _Entry.Last_release_date 2018-12-10 _Entry.Original_release_date 2018-12-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 'Maria Luisa' Verteramo . . . . 27722 2 Olof Stenstrom . . . . 27722 3 Majda 'Misini Ignjatovic' . . . . 27722 4 Octav Caldararu . . . . 27722 5 Martin Olsson . A. . . 27722 6 Francesco Manzoni . . . . 27722 7 Hakon Leffer . . . . 27722 8 Esko Oksanen . . . . 27722 9 Derek Logan . . . . 27722 10 Ulf Nilsson . J. . . 27722 11 Ulf Ryde . . . . 27722 12 Mikael Akke . . . . 27722 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27722 heteronucl_NOEs 5 27722 heteronucl_T1_relaxation 7 27722 heteronucl_T2_relaxation 7 27722 order_parameters 2 27722 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 71 27722 '15N chemical shifts' 110 27722 '1H chemical shifts' 323 27722 'T1 relaxation values' 441 27722 'T2 relaxation values' 447 27722 'heteronuclear NOE values' 313 27722 'order parameters' 168 27722 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 2 . . 2019-04-17 2018-12-10 update BMRB 'update entry citation' 27722 1 . . 2018-12-21 2018-12-10 original author 'original release' 27722 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27721 'Galectin-3 bound to S' 27722 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27722 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/jacs.8b11099 _Citation.PubMed_ID 30618244 _Citation.Full_citation . _Citation.Title ; Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 141 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5126 _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 2012 _Citation.Page_last 2026 _Citation.Year 2019 _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 'Maria Luisa' Verteramo . . . . 27722 1 2 Olof Stenstrom . . . . 27722 1 3 Majda 'Misini Ignjatovic' . . . . 27722 1 4 Octav Caldararu . . . . 27722 1 5 Martin Olsson . A. . . 27722 1 6 Francesco Manzoni . . . . 27722 1 7 Hakon Leffer . . . . 27722 1 8 Esko Oksanen . . . . 27722 1 9 Derek Logan . . . . 27722 1 10 Ulf Nilsson . J. . . 27722 1 11 Ulf Ryde . . . . 27722 1 12 Mikael Akke . . . . 27722 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27722 _Assembly.ID 1 _Assembly.Name 'Gal3C R' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; In complex with compound R: (2R)-2-hydroxy-3-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)-propyl) 2,4,6-tri-O-acetyl-3-deoxy-3-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)-1-thio- -D galactopyranoside ; _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 Galectin-3C 1 $Galectin-3C A . yes native no no . . . 27722 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Galectin-3C _Entity.Sf_category entity _Entity.Sf_framecode Galectin-3C _Entity.Entry_ID 27722 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Galectin-3C _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 ; PLIVPYNLPLPGGVVPRMLI TILGTVKPNANRIALDFQRG NDVAFHFNPRFNENNRRVIV CNTKLDNNWGREERQSVFPF ESGKPFKIQVLVEPDHFKVA VNDAHLLQYNHRVKKLNEIS KLGISGDIDLTSASYTMI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 113 PRO . 27722 1 2 114 LEU . 27722 1 3 115 ILE . 27722 1 4 116 VAL . 27722 1 5 117 PRO . 27722 1 6 118 TYR . 27722 1 7 119 ASN . 27722 1 8 120 LEU . 27722 1 9 121 PRO . 27722 1 10 122 LEU . 27722 1 11 123 PRO . 27722 1 12 124 GLY . 27722 1 13 125 GLY . 27722 1 14 126 VAL . 27722 1 15 127 VAL . 27722 1 16 128 PRO . 27722 1 17 129 ARG . 27722 1 18 130 MET . 27722 1 19 131 LEU . 27722 1 20 132 ILE . 27722 1 21 133 THR . 27722 1 22 134 ILE . 27722 1 23 135 LEU . 27722 1 24 136 GLY . 27722 1 25 137 THR . 27722 1 26 138 VAL . 27722 1 27 139 LYS . 27722 1 28 140 PRO . 27722 1 29 141 ASN . 27722 1 30 142 ALA . 27722 1 31 143 ASN . 27722 1 32 144 ARG . 27722 1 33 145 ILE . 27722 1 34 146 ALA . 27722 1 35 147 LEU . 27722 1 36 148 ASP . 27722 1 37 149 PHE . 27722 1 38 150 GLN . 27722 1 39 151 ARG . 27722 1 40 152 GLY . 27722 1 41 153 ASN . 27722 1 42 154 ASP . 27722 1 43 155 VAL . 27722 1 44 156 ALA . 27722 1 45 157 PHE . 27722 1 46 158 HIS . 27722 1 47 159 PHE . 27722 1 48 160 ASN . 27722 1 49 161 PRO . 27722 1 50 162 ARG . 27722 1 51 163 PHE . 27722 1 52 164 ASN . 27722 1 53 165 GLU . 27722 1 54 166 ASN . 27722 1 55 167 ASN . 27722 1 56 168 ARG . 27722 1 57 169 ARG . 27722 1 58 170 VAL . 27722 1 59 171 ILE . 27722 1 60 172 VAL . 27722 1 61 173 CYS . 27722 1 62 174 ASN . 27722 1 63 175 THR . 27722 1 64 176 LYS . 27722 1 65 177 LEU . 27722 1 66 178 ASP . 27722 1 67 179 ASN . 27722 1 68 180 ASN . 27722 1 69 181 TRP . 27722 1 70 182 GLY . 27722 1 71 183 ARG . 27722 1 72 184 GLU . 27722 1 73 185 GLU . 27722 1 74 186 ARG . 27722 1 75 187 GLN . 27722 1 76 188 SER . 27722 1 77 189 VAL . 27722 1 78 190 PHE . 27722 1 79 191 PRO . 27722 1 80 192 PHE . 27722 1 81 193 GLU . 27722 1 82 194 SER . 27722 1 83 195 GLY . 27722 1 84 196 LYS . 27722 1 85 197 PRO . 27722 1 86 198 PHE . 27722 1 87 199 LYS . 27722 1 88 200 ILE . 27722 1 89 201 GLN . 27722 1 90 202 VAL . 27722 1 91 203 LEU . 27722 1 92 204 VAL . 27722 1 93 205 GLU . 27722 1 94 206 PRO . 27722 1 95 207 ASP . 27722 1 96 208 HIS . 27722 1 97 209 PHE . 27722 1 98 210 LYS . 27722 1 99 211 VAL . 27722 1 100 212 ALA . 27722 1 101 213 VAL . 27722 1 102 214 ASN . 27722 1 103 215 ASP . 27722 1 104 216 ALA . 27722 1 105 217 HIS . 27722 1 106 218 LEU . 27722 1 107 219 LEU . 27722 1 108 220 GLN . 27722 1 109 221 TYR . 27722 1 110 222 ASN . 27722 1 111 223 HIS . 27722 1 112 224 ARG . 27722 1 113 225 VAL . 27722 1 114 226 LYS . 27722 1 115 227 LYS . 27722 1 116 228 LEU . 27722 1 117 229 ASN . 27722 1 118 230 GLU . 27722 1 119 231 ILE . 27722 1 120 232 SER . 27722 1 121 233 LYS . 27722 1 122 234 LEU . 27722 1 123 235 GLY . 27722 1 124 236 ILE . 27722 1 125 237 SER . 27722 1 126 238 GLY . 27722 1 127 239 ASP . 27722 1 128 240 ILE . 27722 1 129 241 ASP . 27722 1 130 242 LEU . 27722 1 131 243 THR . 27722 1 132 244 SER . 27722 1 133 245 ALA . 27722 1 134 246 SER . 27722 1 135 247 TYR . 27722 1 136 248 THR . 27722 1 137 249 MET . 27722 1 138 250 ILE . 27722 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 . PRO 1 1 27722 1 . LEU 2 2 27722 1 . ILE 3 3 27722 1 . VAL 4 4 27722 1 . PRO 5 5 27722 1 . TYR 6 6 27722 1 . ASN 7 7 27722 1 . LEU 8 8 27722 1 . PRO 9 9 27722 1 . LEU 10 10 27722 1 . PRO 11 11 27722 1 . GLY 12 12 27722 1 . GLY 13 13 27722 1 . VAL 14 14 27722 1 . VAL 15 15 27722 1 . PRO 16 16 27722 1 . ARG 17 17 27722 1 . MET 18 18 27722 1 . LEU 19 19 27722 1 . ILE 20 20 27722 1 . THR 21 21 27722 1 . ILE 22 22 27722 1 . LEU 23 23 27722 1 . GLY 24 24 27722 1 . THR 25 25 27722 1 . VAL 26 26 27722 1 . LYS 27 27 27722 1 . PRO 28 28 27722 1 . ASN 29 29 27722 1 . ALA 30 30 27722 1 . ASN 31 31 27722 1 . ARG 32 32 27722 1 . ILE 33 33 27722 1 . ALA 34 34 27722 1 . LEU 35 35 27722 1 . ASP 36 36 27722 1 . PHE 37 37 27722 1 . GLN 38 38 27722 1 . ARG 39 39 27722 1 . GLY 40 40 27722 1 . ASN 41 41 27722 1 . ASP 42 42 27722 1 . VAL 43 43 27722 1 . ALA 44 44 27722 1 . PHE 45 45 27722 1 . HIS 46 46 27722 1 . PHE 47 47 27722 1 . ASN 48 48 27722 1 . PRO 49 49 27722 1 . ARG 50 50 27722 1 . PHE 51 51 27722 1 . ASN 52 52 27722 1 . GLU 53 53 27722 1 . ASN 54 54 27722 1 . ASN 55 55 27722 1 . ARG 56 56 27722 1 . ARG 57 57 27722 1 . VAL 58 58 27722 1 . ILE 59 59 27722 1 . VAL 60 60 27722 1 . CYS 61 61 27722 1 . ASN 62 62 27722 1 . THR 63 63 27722 1 . LYS 64 64 27722 1 . LEU 65 65 27722 1 . ASP 66 66 27722 1 . ASN 67 67 27722 1 . ASN 68 68 27722 1 . TRP 69 69 27722 1 . GLY 70 70 27722 1 . ARG 71 71 27722 1 . GLU 72 72 27722 1 . GLU 73 73 27722 1 . ARG 74 74 27722 1 . GLN 75 75 27722 1 . SER 76 76 27722 1 . VAL 77 77 27722 1 . PHE 78 78 27722 1 . PRO 79 79 27722 1 . PHE 80 80 27722 1 . GLU 81 81 27722 1 . SER 82 82 27722 1 . GLY 83 83 27722 1 . LYS 84 84 27722 1 . PRO 85 85 27722 1 . PHE 86 86 27722 1 . LYS 87 87 27722 1 . ILE 88 88 27722 1 . GLN 89 89 27722 1 . VAL 90 90 27722 1 . LEU 91 91 27722 1 . VAL 92 92 27722 1 . GLU 93 93 27722 1 . PRO 94 94 27722 1 . ASP 95 95 27722 1 . HIS 96 96 27722 1 . PHE 97 97 27722 1 . LYS 98 98 27722 1 . VAL 99 99 27722 1 . ALA 100 100 27722 1 . VAL 101 101 27722 1 . ASN 102 102 27722 1 . ASP 103 103 27722 1 . ALA 104 104 27722 1 . HIS 105 105 27722 1 . LEU 106 106 27722 1 . LEU 107 107 27722 1 . GLN 108 108 27722 1 . TYR 109 109 27722 1 . ASN 110 110 27722 1 . HIS 111 111 27722 1 . ARG 112 112 27722 1 . VAL 113 113 27722 1 . LYS 114 114 27722 1 . LYS 115 115 27722 1 . LEU 116 116 27722 1 . ASN 117 117 27722 1 . GLU 118 118 27722 1 . ILE 119 119 27722 1 . SER 120 120 27722 1 . LYS 121 121 27722 1 . LEU 122 122 27722 1 . GLY 123 123 27722 1 . ILE 124 124 27722 1 . SER 125 125 27722 1 . GLY 126 126 27722 1 . ASP 127 127 27722 1 . ILE 128 128 27722 1 . ASP 129 129 27722 1 . LEU 130 130 27722 1 . THR 131 131 27722 1 . SER 132 132 27722 1 . ALA 133 133 27722 1 . SER 134 134 27722 1 . TYR 135 135 27722 1 . THR 136 136 27722 1 . MET 137 137 27722 1 . ILE 138 138 27722 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27722 _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 $Galectin-3C . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27722 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 27722 _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 $Galectin-3C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 27722 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 27722 _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 Galectin-3C '[U-100% 15N]' . . 1 $Galectin-3C . . 0.32 . . mM . . . . 27722 1 2 'compound R' 'natural abundance' . . . . . . 0.41 . . mM . . . . 27722 1 stop_ save_ save_15N-13C _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C _Sample.Entry_ID 27722 _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 Galectin-3C '[U-100% 13C; U-100% 15N]' . . 1 $Galectin-3C . . 0.20 . . mM . . . . 27722 2 2 'compound R' 'natural abundance' . . . . . . 0.34 . . mM . . . . 27722 2 stop_ save_ save_15N-13C-D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C-D2O _Sample.Entry_ID 27722 _Sample.ID 3 _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 Galectin-3C '[U-100% 13C; U-100% 15N; U-60% 2H]' . . 1 $Galectin-3C . . 0.34 . . mM . . . . 27722 3 2 'compound R' 'natural abundance' . . . . . . 0.41 . . mM . . . . 27722 3 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 27722 _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 . M 27722 1 pH 7.4 . pH 27722 1 pressure 1 . atm 27722 1 temperature 301 . K 27722 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27722 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27722 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27722 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27722 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27722 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27722 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27722 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27722 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27722 3 stop_ save_ save_Relax _Software.Sf_category software _Software.Sf_framecode Relax _Software.Entry_ID 27722 _Software.ID 4 _Software.Type . _Software.Name Relax _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "d'Auvergne, E. J. and Gooley, P. R." . . 27722 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27722 4 stop_ save_ save_PINT _Software.Sf_category software _Software.Sf_framecode PINT _Software.Entry_ID 27722 _Software.ID 5 _Software.Type . _Software.Name PINT _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Patrik Lundstr m' . . 27722 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27722 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500 _NMR_spectrometer.Entry_ID 27722 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 27722 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900 _NMR_spectrometer.Entry_ID 27722 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 27722 _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 1 500 Agilent UnityPlus . 500 . . . 27722 1 2 600 Agilent UnityPlus . 600 . . . 27722 1 3 900 Bruker Avance . 900 . . . 27722 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 27722 _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 '3D HNCACB' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 3 '3D CCH-TOCSY' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 6 '15N T1' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 7 '15N T2' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 8 '{H}-15N NOE' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 9 R1(Dz) no . . . . . . . . . . 3 $15N-13C-D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 10 R(3Dz-2) no . . . . . . . . . . 3 $15N-13C-D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 11 R2(D+) no . . . . . . . . . . 3 $15N-13C-D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 12 'R(D-Dz + DzD+)' no . . . . . . . . . . 3 $15N-13C-D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27722 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27722 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27722 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27722 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27722 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27722 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Additional rows: 105 7 0.82671 14.95639 (171Ile/134Ile)Hd1* (171Ile/134Ile)Cd1 106 51 0.84540 25.16110 (177Leu/135Leu)(Hdb*/Hda*) (177Leu/135Leu)Cd* 107 50 0.75277 23.40624 (177Leu/213Val)(Hda*/Hgb*) (177Leu/213Val)(Cda/Cgb) 108 6 0.73059 14.32032 (240Ile/200Ile)Hd1* (240Ile/200Ile)Cd1 113 79 0.84564 19.97143 (240IleHg2*/127ValHga*/202ValHga*) 114 72 1.12795 22.18189 (243ThrHg2*/116ValHga*/202ValHgb*) ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . isotropic 27722 1 2 '2D 1H-15N HSQC' . . isotropic 27722 1 3 '3D CCH-TOCSY' . . isotropic 27722 1 4 '3D HCCH-TOCSY' . . isotropic 27722 1 5 '2D 1H-13C HSQC' . . isotropic 27722 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU HD11 H 1 0.28792 . . 2 . . . . . 114 LEU HD1 . 27722 1 2 . 1 1 2 2 LEU HD12 H 1 0.28792 . . 2 . . . . . 114 LEU HD1 . 27722 1 3 . 1 1 2 2 LEU HD13 H 1 0.28792 . . 2 . . . . . 114 LEU HD1 . 27722 1 4 . 1 1 2 2 LEU HD21 H 1 0.75586 . . 2 . . . . . 114 LEU HD2 . 27722 1 5 . 1 1 2 2 LEU HD22 H 1 0.75586 . . 2 . . . . . 114 LEU HD2 . 27722 1 6 . 1 1 2 2 LEU HD23 H 1 0.75586 . . 2 . . . . . 114 LEU HD2 . 27722 1 7 . 1 1 2 2 LEU CD1 C 13 24.19071 . . 2 . . . . . 114 LEU CD1 . 27722 1 8 . 1 1 2 2 LEU CD2 C 13 22.45489 . . 2 . . . . . 114 LEU CD2 . 27722 1 9 . 1 1 3 3 ILE HG21 H 1 0.99828 . . 1 . . . . . 115 ILE HG2 . 27722 1 10 . 1 1 3 3 ILE HG22 H 1 0.99828 . . 1 . . . . . 115 ILE HG2 . 27722 1 11 . 1 1 3 3 ILE HG23 H 1 0.99828 . . 1 . . . . . 115 ILE HG2 . 27722 1 12 . 1 1 3 3 ILE HD11 H 1 0.97030 . . 1 . . . . . 115 ILE HD1 . 27722 1 13 . 1 1 3 3 ILE HD12 H 1 0.97030 . . 1 . . . . . 115 ILE HD1 . 27722 1 14 . 1 1 3 3 ILE HD13 H 1 0.97030 . . 1 . . . . . 115 ILE HD1 . 27722 1 15 . 1 1 3 3 ILE CG2 C 13 17.70213 . . 1 . . . . . 115 ILE CG2 . 27722 1 16 . 1 1 3 3 ILE CD1 C 13 12.75466 . . 1 . . . . . 115 ILE CD1 . 27722 1 17 . 1 1 4 4 VAL HG21 H 1 1.21400 . . 2 . . . . . 116 VAL HG2 . 27722 1 18 . 1 1 4 4 VAL HG22 H 1 1.21400 . . 2 . . . . . 116 VAL HG2 . 27722 1 19 . 1 1 4 4 VAL HG23 H 1 1.21400 . . 2 . . . . . 116 VAL HG2 . 27722 1 20 . 1 1 4 4 VAL CG2 C 13 21.83769 . . 2 . . . . . 116 VAL CG2 . 27722 1 21 . 1 1 8 8 LEU HD11 H 1 0.89383 . . 2 . . . . . 120 LEU HD1 . 27722 1 22 . 1 1 8 8 LEU HD12 H 1 0.89383 . . 2 . . . . . 120 LEU HD1 . 27722 1 23 . 1 1 8 8 LEU HD13 H 1 0.89383 . . 2 . . . . . 120 LEU HD1 . 27722 1 24 . 1 1 8 8 LEU HD21 H 1 1.23710 . . 2 . . . . . 120 LEU HD2 . 27722 1 25 . 1 1 8 8 LEU HD22 H 1 1.23710 . . 2 . . . . . 120 LEU HD2 . 27722 1 26 . 1 1 8 8 LEU HD23 H 1 1.23710 . . 2 . . . . . 120 LEU HD2 . 27722 1 27 . 1 1 8 8 LEU CD1 C 13 26.58645 . . 2 . . . . . 120 LEU CD1 . 27722 1 28 . 1 1 8 8 LEU CD2 C 13 24.56505 . . 2 . . . . . 120 LEU CD2 . 27722 1 29 . 1 1 10 10 LEU HD11 H 1 0.55854 . . 2 . . . . . 122 LEU HD1 . 27722 1 30 . 1 1 10 10 LEU HD12 H 1 0.55854 . . 2 . . . . . 122 LEU HD1 . 27722 1 31 . 1 1 10 10 LEU HD13 H 1 0.55854 . . 2 . . . . . 122 LEU HD1 . 27722 1 32 . 1 1 10 10 LEU HD21 H 1 0.74772 . . 2 . . . . . 122 LEU HD2 . 27722 1 33 . 1 1 10 10 LEU HD22 H 1 0.74772 . . 2 . . . . . 122 LEU HD2 . 27722 1 34 . 1 1 10 10 LEU HD23 H 1 0.74772 . . 2 . . . . . 122 LEU HD2 . 27722 1 35 . 1 1 10 10 LEU CD1 C 13 23.60795 . . 2 . . . . . 122 LEU CD1 . 27722 1 36 . 1 1 10 10 LEU CD2 C 13 26.56772 . . 2 . . . . . 122 LEU CD2 . 27722 1 37 . 1 1 14 14 VAL HG11 H 1 1.03424 . . 2 . . . . . 126 VAL HG1 . 27722 1 38 . 1 1 14 14 VAL HG12 H 1 1.03424 . . 2 . . . . . 126 VAL HG1 . 27722 1 39 . 1 1 14 14 VAL HG13 H 1 1.03424 . . 2 . . . . . 126 VAL HG1 . 27722 1 40 . 1 1 14 14 VAL HG21 H 1 1.04833 . . 2 . . . . . 126 VAL HG2 . 27722 1 41 . 1 1 14 14 VAL HG22 H 1 1.04833 . . 2 . . . . . 126 VAL HG2 . 27722 1 42 . 1 1 14 14 VAL HG23 H 1 1.04833 . . 2 . . . . . 126 VAL HG2 . 27722 1 43 . 1 1 14 14 VAL CG1 C 13 22.61574 . . 2 . . . . . 126 VAL CG1 . 27722 1 44 . 1 1 14 14 VAL CG2 C 13 23.98903 . . 2 . . . . . 126 VAL CG2 . 27722 1 45 . 1 1 15 15 VAL HG21 H 1 0.93265 . . 2 . . . . . 127 VAL HG2 . 27722 1 46 . 1 1 15 15 VAL HG22 H 1 0.93265 . . 2 . . . . . 127 VAL HG2 . 27722 1 47 . 1 1 15 15 VAL HG23 H 1 0.93265 . . 2 . . . . . 127 VAL HG2 . 27722 1 48 . 1 1 15 15 VAL CG2 C 13 21.55393 . . 2 . . . . . 127 VAL CG2 . 27722 1 49 . 1 1 18 18 MET HE1 H 1 1.78643 . . 1 . . . . . 130 MET HE . 27722 1 50 . 1 1 18 18 MET HE2 H 1 1.78643 . . 1 . . . . . 130 MET HE . 27722 1 51 . 1 1 18 18 MET HE3 H 1 1.78643 . . 1 . . . . . 130 MET HE . 27722 1 52 . 1 1 18 18 MET CE C 13 17.66786 . . 1 . . . . . 130 MET CE . 27722 1 53 . 1 1 19 19 LEU HD11 H 1 0.83416 . . 2 . . . . . 131 LEU HD1 . 27722 1 54 . 1 1 19 19 LEU HD12 H 1 0.83416 . . 2 . . . . . 131 LEU HD1 . 27722 1 55 . 1 1 19 19 LEU HD13 H 1 0.83416 . . 2 . . . . . 131 LEU HD1 . 27722 1 56 . 1 1 19 19 LEU HD21 H 1 0.87889 . . 2 . . . . . 131 LEU HD2 . 27722 1 57 . 1 1 19 19 LEU HD22 H 1 0.87889 . . 2 . . . . . 131 LEU HD2 . 27722 1 58 . 1 1 19 19 LEU HD23 H 1 0.87889 . . 2 . . . . . 131 LEU HD2 . 27722 1 59 . 1 1 19 19 LEU CD1 C 13 26.35496 . . 2 . . . . . 131 LEU CD1 . 27722 1 60 . 1 1 19 19 LEU CD2 C 13 24.27596 . . 2 . . . . . 131 LEU CD2 . 27722 1 61 . 1 1 20 20 ILE HG21 H 1 0.93879 . . 1 . . . . . 132 ILE HG2 . 27722 1 62 . 1 1 20 20 ILE HG22 H 1 0.93879 . . 1 . . . . . 132 ILE HG2 . 27722 1 63 . 1 1 20 20 ILE HG23 H 1 0.93879 . . 1 . . . . . 132 ILE HG2 . 27722 1 64 . 1 1 20 20 ILE HD11 H 1 1.21453 . . 1 . . . . . 132 ILE HD1 . 27722 1 65 . 1 1 20 20 ILE HD12 H 1 1.21453 . . 1 . . . . . 132 ILE HD1 . 27722 1 66 . 1 1 20 20 ILE HD13 H 1 1.21453 . . 1 . . . . . 132 ILE HD1 . 27722 1 67 . 1 1 20 20 ILE CG2 C 13 18.13742 . . 1 . . . . . 132 ILE CG2 . 27722 1 68 . 1 1 20 20 ILE CD1 C 13 15.63279 . . 1 . . . . . 132 ILE CD1 . 27722 1 69 . 1 1 21 21 THR HG21 H 1 1.12017 . . 1 . . . . . 133 THR HG2 . 27722 1 70 . 1 1 21 21 THR HG22 H 1 1.12017 . . 1 . . . . . 133 THR HG2 . 27722 1 71 . 1 1 21 21 THR HG23 H 1 1.12017 . . 1 . . . . . 133 THR HG2 . 27722 1 72 . 1 1 21 21 THR CG2 C 13 21.52031 . . 1 . . . . . 133 THR CG2 . 27722 1 73 . 1 1 22 22 ILE HG21 H 1 1.02114 . . 1 . . . . . 134 ILE HG2 . 27722 1 74 . 1 1 22 22 ILE HG22 H 1 1.02114 . . 1 . . . . . 134 ILE HG2 . 27722 1 75 . 1 1 22 22 ILE HG23 H 1 1.02114 . . 1 . . . . . 134 ILE HG2 . 27722 1 76 . 1 1 22 22 ILE CG2 C 13 18.88410 . . 1 . . . . . 134 ILE CG2 . 27722 1 77 . 1 1 23 23 LEU HD21 H 1 0.92515 . . 2 . . . . . 135 LEU HD2 . 27722 1 78 . 1 1 23 23 LEU HD22 H 1 0.92515 . . 2 . . . . . 135 LEU HD2 . 27722 1 79 . 1 1 23 23 LEU HD23 H 1 0.92515 . . 2 . . . . . 135 LEU HD2 . 27722 1 80 . 1 1 23 23 LEU CD2 C 13 24.21289 . . 2 . . . . . 135 LEU CD2 . 27722 1 81 . 1 1 25 25 THR HG21 H 1 1.00179 . . 1 . . . . . 137 THR HG2 . 27722 1 82 . 1 1 25 25 THR HG22 H 1 1.00179 . . 1 . . . . . 137 THR HG2 . 27722 1 83 . 1 1 25 25 THR HG23 H 1 1.00179 . . 1 . . . . . 137 THR HG2 . 27722 1 84 . 1 1 25 25 THR CG2 C 13 21.71565 . . 1 . . . . . 137 THR CG2 . 27722 1 85 . 1 1 26 26 VAL HG11 H 1 1.09489 . . 2 . . . . . 138 VAL HG1 . 27722 1 86 . 1 1 26 26 VAL HG12 H 1 1.09489 . . 2 . . . . . 138 VAL HG1 . 27722 1 87 . 1 1 26 26 VAL HG13 H 1 1.09489 . . 2 . . . . . 138 VAL HG1 . 27722 1 88 . 1 1 26 26 VAL HG21 H 1 1.31491 . . 2 . . . . . 138 VAL HG2 . 27722 1 89 . 1 1 26 26 VAL HG22 H 1 1.31491 . . 2 . . . . . 138 VAL HG2 . 27722 1 90 . 1 1 26 26 VAL HG23 H 1 1.31491 . . 2 . . . . . 138 VAL HG2 . 27722 1 91 . 1 1 26 26 VAL CG1 C 13 24.34627 . . 2 . . . . . 138 VAL CG1 . 27722 1 92 . 1 1 26 26 VAL CG2 C 13 24.69614 . . 2 . . . . . 138 VAL CG2 . 27722 1 93 . 1 1 30 30 ALA HB1 H 1 0.60344 . . 1 . . . . . 142 ALA HB . 27722 1 94 . 1 1 30 30 ALA HB2 H 1 0.60344 . . 1 . . . . . 142 ALA HB . 27722 1 95 . 1 1 30 30 ALA HB3 H 1 0.60344 . . 1 . . . . . 142 ALA HB . 27722 1 96 . 1 1 30 30 ALA CB C 13 20.33046 . . 1 . . . . . 142 ALA CB . 27722 1 97 . 1 1 33 33 ILE HG21 H 1 0.58016 . . 1 . . . . . 145 ILE HG2 . 27722 1 98 . 1 1 33 33 ILE HG22 H 1 0.58016 . . 1 . . . . . 145 ILE HG2 . 27722 1 99 . 1 1 33 33 ILE HG23 H 1 0.58016 . . 1 . . . . . 145 ILE HG2 . 27722 1 100 . 1 1 33 33 ILE HD11 H 1 0.00572 . . 1 . . . . . 145 ILE HD1 . 27722 1 101 . 1 1 33 33 ILE HD12 H 1 0.00572 . . 1 . . . . . 145 ILE HD1 . 27722 1 102 . 1 1 33 33 ILE HD13 H 1 0.00572 . . 1 . . . . . 145 ILE HD1 . 27722 1 103 . 1 1 33 33 ILE CG2 C 13 15.50614 . . 1 . . . . . 145 ILE CG2 . 27722 1 104 . 1 1 33 33 ILE CD1 C 13 13.75171 . . 1 . . . . . 145 ILE CD1 . 27722 1 105 . 1 1 34 34 ALA HB1 H 1 0.68459 . . 1 . . . . . 146 ALA HB . 27722 1 106 . 1 1 34 34 ALA HB2 H 1 0.68459 . . 1 . . . . . 146 ALA HB . 27722 1 107 . 1 1 34 34 ALA HB3 H 1 0.68459 . . 1 . . . . . 146 ALA HB . 27722 1 108 . 1 1 34 34 ALA CB C 13 21.87337 . . 1 . . . . . 146 ALA CB . 27722 1 109 . 1 1 35 35 LEU HD11 H 1 0.66874 . . 2 . . . . . 147 LEU HD1 . 27722 1 110 . 1 1 35 35 LEU HD12 H 1 0.66874 . . 2 . . . . . 147 LEU HD1 . 27722 1 111 . 1 1 35 35 LEU HD13 H 1 0.66874 . . 2 . . . . . 147 LEU HD1 . 27722 1 112 . 1 1 35 35 LEU HD21 H 1 0.75307 . . 2 . . . . . 147 LEU HD2 . 27722 1 113 . 1 1 35 35 LEU HD22 H 1 0.75307 . . 2 . . . . . 147 LEU HD2 . 27722 1 114 . 1 1 35 35 LEU HD23 H 1 0.75307 . . 2 . . . . . 147 LEU HD2 . 27722 1 115 . 1 1 35 35 LEU CD1 C 13 24.16216 . . 2 . . . . . 147 LEU CD1 . 27722 1 116 . 1 1 35 35 LEU CD2 C 13 25.45711 . . 2 . . . . . 147 LEU CD2 . 27722 1 117 . 1 1 43 43 VAL HG11 H 1 0.77334 . . 2 . . . . . 155 VAL HG1 . 27722 1 118 . 1 1 43 43 VAL HG12 H 1 0.77334 . . 2 . . . . . 155 VAL HG1 . 27722 1 119 . 1 1 43 43 VAL HG13 H 1 0.77334 . . 2 . . . . . 155 VAL HG1 . 27722 1 120 . 1 1 43 43 VAL HG21 H 1 1.16907 . . 2 . . . . . 155 VAL HG2 . 27722 1 121 . 1 1 43 43 VAL HG22 H 1 1.16907 . . 2 . . . . . 155 VAL HG2 . 27722 1 122 . 1 1 43 43 VAL HG23 H 1 1.16907 . . 2 . . . . . 155 VAL HG2 . 27722 1 123 . 1 1 43 43 VAL CG1 C 13 20.30544 . . 2 . . . . . 155 VAL CG1 . 27722 1 124 . 1 1 43 43 VAL CG2 C 13 22.84005 . . 2 . . . . . 155 VAL CG2 . 27722 1 125 . 1 1 44 44 ALA HB1 H 1 1.57079 . . 1 . . . . . 156 ALA HB . 27722 1 126 . 1 1 44 44 ALA HB2 H 1 1.57079 . . 1 . . . . . 156 ALA HB . 27722 1 127 . 1 1 44 44 ALA HB3 H 1 1.57079 . . 1 . . . . . 156 ALA HB . 27722 1 128 . 1 1 44 44 ALA CB C 13 19.52591 . . 1 . . . . . 156 ALA CB . 27722 1 129 . 1 1 58 58 VAL HG11 H 1 0.66183 . . 2 . . . . . 170 VAL HG1 . 27722 1 130 . 1 1 58 58 VAL HG12 H 1 0.66183 . . 2 . . . . . 170 VAL HG1 . 27722 1 131 . 1 1 58 58 VAL HG13 H 1 0.66183 . . 2 . . . . . 170 VAL HG1 . 27722 1 132 . 1 1 58 58 VAL HG21 H 1 0.79381 . . 2 . . . . . 170 VAL HG2 . 27722 1 133 . 1 1 58 58 VAL HG22 H 1 0.79381 . . 2 . . . . . 170 VAL HG2 . 27722 1 134 . 1 1 58 58 VAL HG23 H 1 0.79381 . . 2 . . . . . 170 VAL HG2 . 27722 1 135 . 1 1 58 58 VAL CG1 C 13 19.27653 . . 2 . . . . . 170 VAL CG1 . 27722 1 136 . 1 1 58 58 VAL CG2 C 13 21.05554 . . 2 . . . . . 170 VAL CG2 . 27722 1 137 . 1 1 59 59 ILE HG21 H 1 0.14389 . . 1 . . . . . 171 ILE HG2 . 27722 1 138 . 1 1 59 59 ILE HG22 H 1 0.14389 . . 1 . . . . . 171 ILE HG2 . 27722 1 139 . 1 1 59 59 ILE HG23 H 1 0.14389 . . 1 . . . . . 171 ILE HG2 . 27722 1 140 . 1 1 59 59 ILE CG2 C 13 17.80626 . . 1 . . . . . 171 ILE CG2 . 27722 1 141 . 1 1 60 60 VAL HG11 H 1 0.63412 . . 2 . . . . . 172 VAL HG1 . 27722 1 142 . 1 1 60 60 VAL HG12 H 1 0.63412 . . 2 . . . . . 172 VAL HG1 . 27722 1 143 . 1 1 60 60 VAL HG13 H 1 0.63412 . . 2 . . . . . 172 VAL HG1 . 27722 1 144 . 1 1 60 60 VAL HG21 H 1 0.79615 . . 2 . . . . . 172 VAL HG2 . 27722 1 145 . 1 1 60 60 VAL HG22 H 1 0.79615 . . 2 . . . . . 172 VAL HG2 . 27722 1 146 . 1 1 60 60 VAL HG23 H 1 0.79615 . . 2 . . . . . 172 VAL HG2 . 27722 1 147 . 1 1 60 60 VAL CG1 C 13 21.38977 . . 2 . . . . . 172 VAL CG1 . 27722 1 148 . 1 1 60 60 VAL CG2 C 13 21.66276 . . 2 . . . . . 172 VAL CG2 . 27722 1 149 . 1 1 63 63 THR HG21 H 1 1.49739 . . 1 . . . . . 175 THR HG2 . 27722 1 150 . 1 1 63 63 THR HG22 H 1 1.49739 . . 1 . . . . . 175 THR HG2 . 27722 1 151 . 1 1 63 63 THR HG23 H 1 1.49739 . . 1 . . . . . 175 THR HG2 . 27722 1 152 . 1 1 63 63 THR CG2 C 13 21.57786 . . 1 . . . . . 175 THR CG2 . 27722 1 153 . 1 1 77 77 VAL HG11 H 1 0.84875 . . 2 . . . . . 189 VAL HG1 . 27722 1 154 . 1 1 77 77 VAL HG12 H 1 0.84875 . . 2 . . . . . 189 VAL HG1 . 27722 1 155 . 1 1 77 77 VAL HG13 H 1 0.84875 . . 2 . . . . . 189 VAL HG1 . 27722 1 156 . 1 1 77 77 VAL HG21 H 1 1.04100 . . 2 . . . . . 189 VAL HG2 . 27722 1 157 . 1 1 77 77 VAL HG22 H 1 1.04100 . . 2 . . . . . 189 VAL HG2 . 27722 1 158 . 1 1 77 77 VAL HG23 H 1 1.04100 . . 2 . . . . . 189 VAL HG2 . 27722 1 159 . 1 1 77 77 VAL CG1 C 13 21.32471 . . 2 . . . . . 189 VAL CG1 . 27722 1 160 . 1 1 77 77 VAL CG2 C 13 21.56698 . . 2 . . . . . 189 VAL CG2 . 27722 1 161 . 1 1 88 88 ILE HG21 H 1 0.65707 . . 1 . . . . . 200 ILE HG2 . 27722 1 162 . 1 1 88 88 ILE HG22 H 1 0.65707 . . 1 . . . . . 200 ILE HG2 . 27722 1 163 . 1 1 88 88 ILE HG23 H 1 0.65707 . . 1 . . . . . 200 ILE HG2 . 27722 1 164 . 1 1 88 88 ILE CG2 C 13 17.47909 . . 1 . . . . . 200 ILE CG2 . 27722 1 165 . 1 1 91 91 LEU HD11 H 1 0.90686 . . 2 . . . . . 203 LEU HD1 . 27722 1 166 . 1 1 91 91 LEU HD12 H 1 0.90686 . . 2 . . . . . 203 LEU HD1 . 27722 1 167 . 1 1 91 91 LEU HD13 H 1 0.90686 . . 2 . . . . . 203 LEU HD1 . 27722 1 168 . 1 1 91 91 LEU HD21 H 1 0.91060 . . 2 . . . . . 203 LEU HD2 . 27722 1 169 . 1 1 91 91 LEU HD22 H 1 0.91060 . . 2 . . . . . 203 LEU HD2 . 27722 1 170 . 1 1 91 91 LEU HD23 H 1 0.91060 . . 2 . . . . . 203 LEU HD2 . 27722 1 171 . 1 1 91 91 LEU CD1 C 13 23.47388 . . 2 . . . . . 203 LEU CD1 . 27722 1 172 . 1 1 91 91 LEU CD2 C 13 26.43615 . . 2 . . . . . 203 LEU CD2 . 27722 1 173 . 1 1 92 92 VAL HG11 H 1 0.44331 . . 2 . . . . . 204 VAL HG1 . 27722 1 174 . 1 1 92 92 VAL HG12 H 1 0.44331 . . 2 . . . . . 204 VAL HG1 . 27722 1 175 . 1 1 92 92 VAL HG13 H 1 0.44331 . . 2 . . . . . 204 VAL HG1 . 27722 1 176 . 1 1 92 92 VAL HG21 H 1 1.07212 . . 2 . . . . . 204 VAL HG2 . 27722 1 177 . 1 1 92 92 VAL HG22 H 1 1.07212 . . 2 . . . . . 204 VAL HG2 . 27722 1 178 . 1 1 92 92 VAL HG23 H 1 1.07212 . . 2 . . . . . 204 VAL HG2 . 27722 1 179 . 1 1 92 92 VAL CG1 C 13 21.39221 . . 2 . . . . . 204 VAL CG1 . 27722 1 180 . 1 1 92 92 VAL CG2 C 13 20.54607 . . 2 . . . . . 204 VAL CG2 . 27722 1 181 . 1 1 99 99 VAL HG11 H 1 0.45984 . . 2 . . . . . 211 VAL HG1 . 27722 1 182 . 1 1 99 99 VAL HG12 H 1 0.45984 . . 2 . . . . . 211 VAL HG1 . 27722 1 183 . 1 1 99 99 VAL HG13 H 1 0.45984 . . 2 . . . . . 211 VAL HG1 . 27722 1 184 . 1 1 99 99 VAL HG21 H 1 0.82417 . . 2 . . . . . 211 VAL HG2 . 27722 1 185 . 1 1 99 99 VAL HG22 H 1 0.82417 . . 2 . . . . . 211 VAL HG2 . 27722 1 186 . 1 1 99 99 VAL HG23 H 1 0.82417 . . 2 . . . . . 211 VAL HG2 . 27722 1 187 . 1 1 99 99 VAL CG1 C 13 21.23605 . . 2 . . . . . 211 VAL CG1 . 27722 1 188 . 1 1 99 99 VAL CG2 C 13 21.31051 . . 2 . . . . . 211 VAL CG2 . 27722 1 189 . 1 1 100 100 ALA HB1 H 1 1.31392 . . 1 . . . . . 212 ALA HB . 27722 1 190 . 1 1 100 100 ALA HB2 H 1 1.31392 . . 1 . . . . . 212 ALA HB . 27722 1 191 . 1 1 100 100 ALA HB3 H 1 1.31392 . . 1 . . . . . 212 ALA HB . 27722 1 192 . 1 1 100 100 ALA CB C 13 22.27782 . . 1 . . . . . 212 ALA CB . 27722 1 193 . 1 1 101 101 VAL HG11 H 1 0.32876 . . 2 . . . . . 213 VAL HG1 . 27722 1 194 . 1 1 101 101 VAL HG12 H 1 0.32876 . . 2 . . . . . 213 VAL HG1 . 27722 1 195 . 1 1 101 101 VAL HG13 H 1 0.32876 . . 2 . . . . . 213 VAL HG1 . 27722 1 196 . 1 1 101 101 VAL CG1 C 13 20.60036 . . 2 . . . . . 213 VAL CG1 . 27722 1 197 . 1 1 104 104 ALA HB1 H 1 1.38635 . . 1 . . . . . 216 ALA HB . 27722 1 198 . 1 1 104 104 ALA HB2 H 1 1.38635 . . 1 . . . . . 216 ALA HB . 27722 1 199 . 1 1 104 104 ALA HB3 H 1 1.38635 . . 1 . . . . . 216 ALA HB . 27722 1 200 . 1 1 104 104 ALA CB C 13 21.07915 . . 1 . . . . . 216 ALA CB . 27722 1 201 . 1 1 106 106 LEU HD11 H 1 0.85978 . . 2 . . . . . 218 LEU HD1 . 27722 1 202 . 1 1 106 106 LEU HD12 H 1 0.85978 . . 2 . . . . . 218 LEU HD1 . 27722 1 203 . 1 1 106 106 LEU HD13 H 1 0.85978 . . 2 . . . . . 218 LEU HD1 . 27722 1 204 . 1 1 106 106 LEU HD21 H 1 0.89302 . . 2 . . . . . 218 LEU HD2 . 27722 1 205 . 1 1 106 106 LEU HD22 H 1 0.89302 . . 2 . . . . . 218 LEU HD2 . 27722 1 206 . 1 1 106 106 LEU HD23 H 1 0.89302 . . 2 . . . . . 218 LEU HD2 . 27722 1 207 . 1 1 106 106 LEU CD1 C 13 22.35483 . . 2 . . . . . 218 LEU CD1 . 27722 1 208 . 1 1 106 106 LEU CD2 C 13 26.96729 . . 2 . . . . . 218 LEU CD2 . 27722 1 209 . 1 1 107 107 LEU HD11 H 1 0.97119 . . 2 . . . . . 219 LEU HD1 . 27722 1 210 . 1 1 107 107 LEU HD12 H 1 0.97119 . . 2 . . . . . 219 LEU HD1 . 27722 1 211 . 1 1 107 107 LEU HD13 H 1 0.97119 . . 2 . . . . . 219 LEU HD1 . 27722 1 212 . 1 1 107 107 LEU HD21 H 1 1.00380 . . 2 . . . . . 219 LEU HD2 . 27722 1 213 . 1 1 107 107 LEU HD22 H 1 1.00380 . . 2 . . . . . 219 LEU HD2 . 27722 1 214 . 1 1 107 107 LEU HD23 H 1 1.00380 . . 2 . . . . . 219 LEU HD2 . 27722 1 215 . 1 1 107 107 LEU CD1 C 13 24.78923 . . 2 . . . . . 219 LEU CD1 . 27722 1 216 . 1 1 107 107 LEU CD2 C 13 28.58929 . . 2 . . . . . 219 LEU CD2 . 27722 1 217 . 1 1 113 113 VAL HG11 H 1 0.86800 . . 2 . . . . . 225 VAL HG1 . 27722 1 218 . 1 1 113 113 VAL HG12 H 1 0.86800 . . 2 . . . . . 225 VAL HG1 . 27722 1 219 . 1 1 113 113 VAL HG13 H 1 0.86800 . . 2 . . . . . 225 VAL HG1 . 27722 1 220 . 1 1 113 113 VAL HG21 H 1 1.06209 . . 2 . . . . . 225 VAL HG2 . 27722 1 221 . 1 1 113 113 VAL HG22 H 1 1.06209 . . 2 . . . . . 225 VAL HG2 . 27722 1 222 . 1 1 113 113 VAL HG23 H 1 1.06209 . . 2 . . . . . 225 VAL HG2 . 27722 1 223 . 1 1 113 113 VAL CG1 C 13 20.83118 . . 2 . . . . . 225 VAL CG1 . 27722 1 224 . 1 1 113 113 VAL CG2 C 13 21.97300 . . 2 . . . . . 225 VAL CG2 . 27722 1 225 . 1 1 116 116 LEU HD11 H 1 -0.23603 . . 2 . . . . . 228 LEU HD1 . 27722 1 226 . 1 1 116 116 LEU HD12 H 1 -0.23603 . . 2 . . . . . 228 LEU HD1 . 27722 1 227 . 1 1 116 116 LEU HD13 H 1 -0.23603 . . 2 . . . . . 228 LEU HD1 . 27722 1 228 . 1 1 116 116 LEU HD21 H 1 0.34368 . . 2 . . . . . 228 LEU HD2 . 27722 1 229 . 1 1 116 116 LEU HD22 H 1 0.34368 . . 2 . . . . . 228 LEU HD2 . 27722 1 230 . 1 1 116 116 LEU HD23 H 1 0.34368 . . 2 . . . . . 228 LEU HD2 . 27722 1 231 . 1 1 116 116 LEU CD1 C 13 20.04411 . . 2 . . . . . 228 LEU CD1 . 27722 1 232 . 1 1 116 116 LEU CD2 C 13 24.33660 . . 2 . . . . . 228 LEU CD2 . 27722 1 233 . 1 1 119 119 ILE HG21 H 1 1.13118 . . 1 . . . . . 231 ILE HG2 . 27722 1 234 . 1 1 119 119 ILE HG22 H 1 1.13118 . . 1 . . . . . 231 ILE HG2 . 27722 1 235 . 1 1 119 119 ILE HG23 H 1 1.13118 . . 1 . . . . . 231 ILE HG2 . 27722 1 236 . 1 1 119 119 ILE HD11 H 1 0.93121 . . 1 . . . . . 231 ILE HD1 . 27722 1 237 . 1 1 119 119 ILE HD12 H 1 0.93121 . . 1 . . . . . 231 ILE HD1 . 27722 1 238 . 1 1 119 119 ILE HD13 H 1 0.93121 . . 1 . . . . . 231 ILE HD1 . 27722 1 239 . 1 1 119 119 ILE CG2 C 13 19.26891 . . 1 . . . . . 231 ILE CG2 . 27722 1 240 . 1 1 119 119 ILE CD1 C 13 15.11498 . . 1 . . . . . 231 ILE CD1 . 27722 1 241 . 1 1 122 122 LEU HD11 H 1 -0.32106 . . 2 . . . . . 234 LEU HD1 . 27722 1 242 . 1 1 122 122 LEU HD12 H 1 -0.32106 . . 2 . . . . . 234 LEU HD1 . 27722 1 243 . 1 1 122 122 LEU HD13 H 1 -0.32106 . . 2 . . . . . 234 LEU HD1 . 27722 1 244 . 1 1 122 122 LEU HD21 H 1 0.59492 . . 2 . . . . . 234 LEU HD2 . 27722 1 245 . 1 1 122 122 LEU HD22 H 1 0.59492 . . 2 . . . . . 234 LEU HD2 . 27722 1 246 . 1 1 122 122 LEU HD23 H 1 0.59492 . . 2 . . . . . 234 LEU HD2 . 27722 1 247 . 1 1 122 122 LEU CD1 C 13 22.12918 . . 2 . . . . . 234 LEU CD1 . 27722 1 248 . 1 1 122 122 LEU CD2 C 13 26.84527 . . 2 . . . . . 234 LEU CD2 . 27722 1 249 . 1 1 124 124 ILE HG21 H 1 0.92920 . . 1 . . . . . 236 ILE HG2 . 27722 1 250 . 1 1 124 124 ILE HG22 H 1 0.92920 . . 1 . . . . . 236 ILE HG2 . 27722 1 251 . 1 1 124 124 ILE HG23 H 1 0.92920 . . 1 . . . . . 236 ILE HG2 . 27722 1 252 . 1 1 124 124 ILE HD11 H 1 0.92818 . . 1 . . . . . 236 ILE HD1 . 27722 1 253 . 1 1 124 124 ILE HD12 H 1 0.92818 . . 1 . . . . . 236 ILE HD1 . 27722 1 254 . 1 1 124 124 ILE HD13 H 1 0.92818 . . 1 . . . . . 236 ILE HD1 . 27722 1 255 . 1 1 124 124 ILE CG2 C 13 18.74269 . . 1 . . . . . 236 ILE CG2 . 27722 1 256 . 1 1 124 124 ILE CD1 C 13 15.99690 . . 1 . . . . . 236 ILE CD1 . 27722 1 257 . 1 1 130 130 LEU HD11 H 1 0.53416 . . 2 . . . . . 242 LEU HD1 . 27722 1 258 . 1 1 130 130 LEU HD12 H 1 0.53416 . . 2 . . . . . 242 LEU HD1 . 27722 1 259 . 1 1 130 130 LEU HD13 H 1 0.53416 . . 2 . . . . . 242 LEU HD1 . 27722 1 260 . 1 1 130 130 LEU HD21 H 1 0.90258 . . 2 . . . . . 242 LEU HD2 . 27722 1 261 . 1 1 130 130 LEU HD22 H 1 0.90258 . . 2 . . . . . 242 LEU HD2 . 27722 1 262 . 1 1 130 130 LEU HD23 H 1 0.90258 . . 2 . . . . . 242 LEU HD2 . 27722 1 263 . 1 1 130 130 LEU CD1 C 13 27.51433 . . 2 . . . . . 242 LEU CD1 . 27722 1 264 . 1 1 130 130 LEU CD2 C 13 24.23449 . . 2 . . . . . 242 LEU CD2 . 27722 1 265 . 1 1 133 133 ALA HB1 H 1 1.24383 . . 1 . . . . . 245 ALA HB . 27722 1 266 . 1 1 133 133 ALA HB2 H 1 1.24383 . . 1 . . . . . 245 ALA HB . 27722 1 267 . 1 1 133 133 ALA HB3 H 1 1.24383 . . 1 . . . . . 245 ALA HB . 27722 1 268 . 1 1 133 133 ALA CB C 13 21.78582 . . 1 . . . . . 245 ALA CB . 27722 1 269 . 1 1 136 136 THR HG21 H 1 1.17889 . . 1 . . . . . 248 THR HG2 . 27722 1 270 . 1 1 136 136 THR HG22 H 1 1.17889 . . 1 . . . . . 248 THR HG2 . 27722 1 271 . 1 1 136 136 THR HG23 H 1 1.17889 . . 1 . . . . . 248 THR HG2 . 27722 1 272 . 1 1 136 136 THR CG2 C 13 19.49509 . . 1 . . . . . 248 THR CG2 . 27722 1 273 . 1 1 137 137 MET HE1 H 1 2.09431 . . 1 . . . . . 249 MET HE . 27722 1 274 . 1 1 137 137 MET HE2 H 1 2.09431 . . 1 . . . . . 249 MET HE . 27722 1 275 . 1 1 137 137 MET HE3 H 1 2.09431 . . 1 . . . . . 249 MET HE . 27722 1 276 . 1 1 137 137 MET CE C 13 16.26738 . . 1 . . . . . 249 MET CE . 27722 1 277 . 1 1 138 138 ILE HG21 H 1 0.92525 . . 1 . . . . . 250 ILE HG2 . 27722 1 278 . 1 1 138 138 ILE HG22 H 1 0.92525 . . 1 . . . . . 250 ILE HG2 . 27722 1 279 . 1 1 138 138 ILE HG23 H 1 0.92525 . . 1 . . . . . 250 ILE HG2 . 27722 1 280 . 1 1 138 138 ILE HD11 H 1 0.89693 . . 1 . . . . . 250 ILE HD1 . 27722 1 281 . 1 1 138 138 ILE HD12 H 1 0.89693 . . 1 . . . . . 250 ILE HD1 . 27722 1 282 . 1 1 138 138 ILE HD13 H 1 0.89693 . . 1 . . . . . 250 ILE HD1 . 27722 1 283 . 1 1 138 138 ILE CG2 C 13 19.55085 . . 1 . . . . . 250 ILE CG2 . 27722 1 284 . 1 1 138 138 ILE CD1 C 13 14.99609 . . 1 . . . . . 250 ILE CD1 . 27722 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27722 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Additional rows: 111 14 9.13133 123.60415 (133Thr/211Val)H (133Thr/211Val)N 112 24 8.71271 117.44623 (144Arg/164Asn)H (144Arg/164Asn)N 113 35 8.94236 127.99917 (156Ala/218Leu)H (156Ala/218Leu)N 114 62 9.24118 119.99955 (193Glu/237Ser)H (193Glu/237Ser)N ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . isotropic 27722 2 2 '2D 1H-15N HSQC' . . isotropic 27722 2 3 '3D CCH-TOCSY' . . isotropic 27722 2 4 '3D HCCH-TOCSY' . . isotropic 27722 2 5 '2D 1H-13C HSQC' . . isotropic 27722 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ILE H H 1 8.29736 . . 1 . . . . . 115 ILE H . 27722 2 2 . 1 1 3 3 ILE N N 15 123.08802 . . 1 . . . . . 115 ILE N . 27722 2 3 . 1 1 4 4 VAL H H 1 7.92976 . . 1 . . . . . 116 VAL H . 27722 2 4 . 1 1 4 4 VAL N N 15 122.48540 . . 1 . . . . . 116 VAL N . 27722 2 5 . 1 1 6 6 TYR H H 1 9.18463 . . 1 . . . . . 118 TYR H . 27722 2 6 . 1 1 6 6 TYR N N 15 125.98273 . . 1 . . . . . 118 TYR N . 27722 2 7 . 1 1 7 7 ASN H H 1 7.76626 . . 1 . . . . . 119 ASN H . 27722 2 8 . 1 1 7 7 ASN N N 15 126.08127 . . 1 . . . . . 119 ASN N . 27722 2 9 . 1 1 8 8 LEU H H 1 9.41497 . . 1 . . . . . 120 LEU H . 27722 2 10 . 1 1 8 8 LEU N N 15 128.07202 . . 1 . . . . . 120 LEU N . 27722 2 11 . 1 1 10 10 LEU H H 1 7.85734 . . 1 . . . . . 122 LEU H . 27722 2 12 . 1 1 10 10 LEU N N 15 122.44483 . . 1 . . . . . 122 LEU N . 27722 2 13 . 1 1 13 13 GLY H H 1 8.27512 . . 1 . . . . . 125 GLY H . 27722 2 14 . 1 1 13 13 GLY N N 15 108.96300 . . 1 . . . . . 125 GLY N . 27722 2 15 . 1 1 14 14 VAL H H 1 7.17479 . . 1 . . . . . 126 VAL H . 27722 2 16 . 1 1 14 14 VAL N N 15 113.53099 . . 1 . . . . . 126 VAL N . 27722 2 17 . 1 1 15 15 VAL H H 1 6.55131 . . 1 . . . . . 127 VAL H . 27722 2 18 . 1 1 15 15 VAL N N 15 116.82166 . . 1 . . . . . 127 VAL N . 27722 2 19 . 1 1 17 17 ARG H H 1 8.75834 . . 1 . . . . . 129 ARG H . 27722 2 20 . 1 1 17 17 ARG N N 15 112.59759 . . 1 . . . . . 129 ARG N . 27722 2 21 . 1 1 18 18 MET H H 1 7.89220 . . 1 . . . . . 130 MET H . 27722 2 22 . 1 1 18 18 MET N N 15 119.35756 . . 1 . . . . . 130 MET N . 27722 2 23 . 1 1 19 19 LEU H H 1 9.21091 . . 1 . . . . . 131 LEU H . 27722 2 24 . 1 1 19 19 LEU N N 15 128.54801 . . 1 . . . . . 131 LEU N . 27722 2 25 . 1 1 20 20 ILE H H 1 9.93534 . . 1 . . . . . 132 ILE H . 27722 2 26 . 1 1 20 20 ILE N N 15 132.36563 . . 1 . . . . . 132 ILE N . 27722 2 27 . 1 1 22 22 ILE H H 1 9.67900 . . 1 . . . . . 134 ILE H . 27722 2 28 . 1 1 22 22 ILE N N 15 130.08061 . . 1 . . . . . 134 ILE N . 27722 2 29 . 1 1 23 23 LEU H H 1 8.82088 . . 1 . . . . . 135 LEU H . 27722 2 30 . 1 1 23 23 LEU N N 15 126.96788 . . 1 . . . . . 135 LEU N . 27722 2 31 . 1 1 24 24 GLY H H 1 6.96818 . . 1 . . . . . 136 GLY H . 27722 2 32 . 1 1 24 24 GLY N N 15 108.51879 . . 1 . . . . . 136 GLY N . 27722 2 33 . 1 1 25 25 THR H H 1 8.97228 . . 1 . . . . . 137 THR H . 27722 2 34 . 1 1 25 25 THR N N 15 115.95228 . . 1 . . . . . 137 THR N . 27722 2 35 . 1 1 26 26 VAL H H 1 8.40082 . . 1 . . . . . 138 VAL H . 27722 2 36 . 1 1 26 26 VAL N N 15 128.26188 . . 1 . . . . . 138 VAL N . 27722 2 37 . 1 1 27 27 LYS H H 1 8.20009 . . 1 . . . . . 139 LYS H . 27722 2 38 . 1 1 27 27 LYS N N 15 128.54803 . . 1 . . . . . 139 LYS N . 27722 2 39 . 1 1 30 30 ALA H H 1 6.90649 . . 1 . . . . . 142 ALA H . 27722 2 40 . 1 1 30 30 ALA N N 15 119.47449 . . 1 . . . . . 142 ALA N . 27722 2 41 . 1 1 31 31 ASN H H 1 9.74437 . . 1 . . . . . 143 ASN H . 27722 2 42 . 1 1 31 31 ASN N N 15 116.66849 . . 1 . . . . . 143 ASN N . 27722 2 43 . 1 1 33 33 ILE H H 1 8.17033 . . 1 . . . . . 145 ILE H . 27722 2 44 . 1 1 33 33 ILE N N 15 119.80284 . . 1 . . . . . 145 ILE N . 27722 2 45 . 1 1 34 34 ALA H H 1 8.76061 . . 1 . . . . . 146 ALA H . 27722 2 46 . 1 1 34 34 ALA N N 15 126.41126 . . 1 . . . . . 146 ALA N . 27722 2 47 . 1 1 35 35 LEU H H 1 8.30808 . . 1 . . . . . 147 LEU H . 27722 2 48 . 1 1 35 35 LEU N N 15 120.83243 . . 1 . . . . . 147 LEU N . 27722 2 49 . 1 1 36 36 ASP H H 1 9.02539 . . 1 . . . . . 148 ASP H . 27722 2 50 . 1 1 36 36 ASP N N 15 120.54886 . . 1 . . . . . 148 ASP N . 27722 2 51 . 1 1 37 37 PHE H H 1 9.33251 . . 1 . . . . . 149 PHE H . 27722 2 52 . 1 1 37 37 PHE N N 15 125.47394 . . 1 . . . . . 149 PHE N . 27722 2 53 . 1 1 38 38 GLN H H 1 9.15270 . . 1 . . . . . 150 GLN H . 27722 2 54 . 1 1 38 38 GLN N N 15 127.30151 . . 1 . . . . . 150 GLN N . 27722 2 55 . 1 1 39 39 ARG H H 1 8.16259 . . 1 . . . . . 151 ARG H . 27722 2 56 . 1 1 39 39 ARG N N 15 125.48091 . . 1 . . . . . 151 ARG N . 27722 2 57 . 1 1 42 42 ASP H H 1 8.48193 . . 1 . . . . . 154 ASP H . 27722 2 58 . 1 1 42 42 ASP N N 15 119.94045 . . 1 . . . . . 154 ASP N . 27722 2 59 . 1 1 43 43 VAL H H 1 9.27392 . . 1 . . . . . 155 VAL H . 27722 2 60 . 1 1 43 43 VAL N N 15 120.94851 . . 1 . . . . . 155 VAL N . 27722 2 61 . 1 1 45 45 PHE H H 1 7.64204 . . 1 . . . . . 157 PHE H . 27722 2 62 . 1 1 45 45 PHE N N 15 118.85833 . . 1 . . . . . 157 PHE N . 27722 2 63 . 1 1 46 46 HIS H H 1 9.32658 . . 1 . . . . . 158 HIS H . 27722 2 64 . 1 1 46 46 HIS N N 15 133.36553 . . 1 . . . . . 158 HIS N . 27722 2 65 . 1 1 47 47 PHE H H 1 8.39652 . . 1 . . . . . 159 PHE H . 27722 2 66 . 1 1 47 47 PHE N N 15 127.25396 . . 1 . . . . . 159 PHE N . 27722 2 67 . 1 1 48 48 ASN H H 1 8.43003 . . 1 . . . . . 160 ASN H . 27722 2 68 . 1 1 48 48 ASN N N 15 122.93990 . . 1 . . . . . 160 ASN N . 27722 2 69 . 1 1 50 50 ARG H H 1 9.31901 . . 1 . . . . . 162 ARG H . 27722 2 70 . 1 1 50 50 ARG N N 15 125.69973 . . 1 . . . . . 162 ARG N . 27722 2 71 . 1 1 51 51 PHE H H 1 8.22781 . . 1 . . . . . 163 PHE H . 27722 2 72 . 1 1 51 51 PHE N N 15 118.67702 . . 1 . . . . . 163 PHE N . 27722 2 73 . 1 1 53 53 GLU H H 1 8.98962 . . 1 . . . . . 165 GLU H . 27722 2 74 . 1 1 53 53 GLU N N 15 125.78442 . . 1 . . . . . 165 GLU N . 27722 2 75 . 1 1 55 55 ASN H H 1 8.03706 . . 1 . . . . . 167 ASN H . 27722 2 76 . 1 1 55 55 ASN N N 15 107.99966 . . 1 . . . . . 167 ASN N . 27722 2 77 . 1 1 56 56 ARG H H 1 7.43344 . . 1 . . . . . 168 ARG H . 27722 2 78 . 1 1 56 56 ARG N N 15 117.27572 . . 1 . . . . . 168 ARG N . 27722 2 79 . 1 1 57 57 ARG H H 1 7.89388 . . 1 . . . . . 169 ARG H . 27722 2 80 . 1 1 57 57 ARG N N 15 118.77889 . . 1 . . . . . 169 ARG N . 27722 2 81 . 1 1 58 58 VAL H H 1 8.60552 . . 1 . . . . . 170 VAL H . 27722 2 82 . 1 1 58 58 VAL N N 15 121.84706 . . 1 . . . . . 170 VAL N . 27722 2 83 . 1 1 59 59 ILE H H 1 8.74684 . . 1 . . . . . 171 ILE H . 27722 2 84 . 1 1 59 59 ILE N N 15 124.72550 . . 1 . . . . . 171 ILE N . 27722 2 85 . 1 1 60 60 VAL H H 1 7.30011 . . 1 . . . . . 172 VAL H . 27722 2 86 . 1 1 60 60 VAL N N 15 128.00149 . . 1 . . . . . 172 VAL N . 27722 2 87 . 1 1 61 61 CYS H H 1 8.91304 . . 1 . . . . . 173 CYS H . 27722 2 88 . 1 1 61 61 CYS N N 15 123.93245 . . 1 . . . . . 173 CYS N . 27722 2 89 . 1 1 62 62 ASN H H 1 9.02654 . . 1 . . . . . 174 ASN H . 27722 2 90 . 1 1 62 62 ASN N N 15 119.36452 . . 1 . . . . . 174 ASN N . 27722 2 91 . 1 1 63 63 THR H H 1 10.09114 . . 1 . . . . . 175 THR H . 27722 2 92 . 1 1 63 63 THR N N 15 118.71737 . . 1 . . . . . 175 THR N . 27722 2 93 . 1 1 64 64 LYS H H 1 9.12323 . . 1 . . . . . 176 LYS H . 27722 2 94 . 1 1 64 64 LYS N N 15 130.59790 . . 1 . . . . . 176 LYS N . 27722 2 95 . 1 1 65 65 LEU H H 1 7.96078 . . 1 . . . . . 177 LEU H . 27722 2 96 . 1 1 65 65 LEU N N 15 126.21321 . . 1 . . . . . 177 LEU N . 27722 2 97 . 1 1 66 66 ASP H H 1 9.02548 . . 1 . . . . . 178 ASP H . 27722 2 98 . 1 1 66 66 ASP N N 15 126.09702 . . 1 . . . . . 178 ASP N . 27722 2 99 . 1 1 67 67 ASN H H 1 9.23291 . . 1 . . . . . 179 ASN H . 27722 2 100 . 1 1 67 67 ASN N N 15 108.48653 . . 1 . . . . . 179 ASN N . 27722 2 101 . 1 1 68 68 ASN H H 1 7.83211 . . 1 . . . . . 180 ASN H . 27722 2 102 . 1 1 68 68 ASN N N 15 117.84129 . . 1 . . . . . 180 ASN N . 27722 2 103 . 1 1 69 69 TRP H H 1 8.97999 . . 1 . . . . . 181 TRP H . 27722 2 104 . 1 1 69 69 TRP N N 15 126.93995 . . 1 . . . . . 181 TRP N . 27722 2 105 . 1 1 70 70 GLY H H 1 8.26142 . . 1 . . . . . 182 GLY H . 27722 2 106 . 1 1 70 70 GLY N N 15 110.43593 . . 1 . . . . . 182 GLY N . 27722 2 107 . 1 1 71 71 ARG H H 1 8.75006 . . 1 . . . . . 183 ARG H . 27722 2 108 . 1 1 71 71 ARG N N 15 125.20710 . . 1 . . . . . 183 ARG N . 27722 2 109 . 1 1 72 72 GLU H H 1 8.95272 . . 1 . . . . . 184 GLU H . 27722 2 110 . 1 1 72 72 GLU N N 15 125.33675 . . 1 . . . . . 184 GLU N . 27722 2 111 . 1 1 73 73 GLU H H 1 9.21123 . . 1 . . . . . 185 GLU H . 27722 2 112 . 1 1 73 73 GLU N N 15 122.27296 . . 1 . . . . . 185 GLU N . 27722 2 113 . 1 1 75 75 GLN H H 1 8.76984 . . 1 . . . . . 187 GLN H . 27722 2 114 . 1 1 75 75 GLN N N 15 121.62896 . . 1 . . . . . 187 GLN N . 27722 2 115 . 1 1 77 77 VAL H H 1 7.88288 . . 1 . . . . . 189 VAL H . 27722 2 116 . 1 1 77 77 VAL N N 15 125.59098 . . 1 . . . . . 189 VAL N . 27722 2 117 . 1 1 78 78 PHE H H 1 8.38372 . . 1 . . . . . 190 PHE H . 27722 2 118 . 1 1 78 78 PHE N N 15 125.69930 . . 1 . . . . . 190 PHE N . 27722 2 119 . 1 1 80 80 PHE H H 1 5.81187 . . 1 . . . . . 192 PHE H . 27722 2 120 . 1 1 80 80 PHE N N 15 113.89278 . . 1 . . . . . 192 PHE N . 27722 2 121 . 1 1 82 82 SER H H 1 9.08690 . . 1 . . . . . 194 SER H . 27722 2 122 . 1 1 82 82 SER N N 15 120.54392 . . 1 . . . . . 194 SER N . 27722 2 123 . 1 1 83 83 GLY H H 1 7.09860 . . 1 . . . . . 195 GLY H . 27722 2 124 . 1 1 83 83 GLY N N 15 112.64482 . . 1 . . . . . 195 GLY N . 27722 2 125 . 1 1 84 84 LYS H H 1 7.80667 . . 1 . . . . . 196 LYS H . 27722 2 126 . 1 1 84 84 LYS N N 15 118.10048 . . 1 . . . . . 196 LYS N . 27722 2 127 . 1 1 86 86 PHE H H 1 8.76797 . . 1 . . . . . 198 PHE H . 27722 2 128 . 1 1 86 86 PHE N N 15 116.38547 . . 1 . . . . . 198 PHE N . 27722 2 129 . 1 1 87 87 LYS H H 1 8.15506 . . 1 . . . . . 199 LYS H . 27722 2 130 . 1 1 87 87 LYS N N 15 121.68476 . . 1 . . . . . 199 LYS N . 27722 2 131 . 1 1 88 88 ILE H H 1 9.83442 . . 1 . . . . . 200 ILE H . 27722 2 132 . 1 1 88 88 ILE N N 15 127.40548 . . 1 . . . . . 200 ILE N . 27722 2 133 . 1 1 89 89 GLN H H 1 9.33035 . . 1 . . . . . 201 GLN H . 27722 2 134 . 1 1 89 89 GLN N N 15 125.28237 . . 1 . . . . . 201 GLN N . 27722 2 135 . 1 1 90 90 VAL H H 1 9.59770 . . 1 . . . . . 202 VAL H . 27722 2 136 . 1 1 90 90 VAL N N 15 124.09343 . . 1 . . . . . 202 VAL N . 27722 2 137 . 1 1 91 91 LEU H H 1 9.47665 . . 1 . . . . . 203 LEU H . 27722 2 138 . 1 1 91 91 LEU N N 15 130.51458 . . 1 . . . . . 203 LEU N . 27722 2 139 . 1 1 92 92 VAL H H 1 9.04327 . . 1 . . . . . 204 VAL H . 27722 2 140 . 1 1 92 92 VAL N N 15 127.47356 . . 1 . . . . . 204 VAL N . 27722 2 141 . 1 1 93 93 GLU H H 1 8.37158 . . 1 . . . . . 205 GLU H . 27722 2 142 . 1 1 93 93 GLU N N 15 128.28326 . . 1 . . . . . 205 GLU N . 27722 2 143 . 1 1 95 95 ASP H H 1 8.03052 . . 1 . . . . . 207 ASP H . 27722 2 144 . 1 1 95 95 ASP N N 15 107.19295 . . 1 . . . . . 207 ASP N . 27722 2 145 . 1 1 96 96 HIS H H 1 6.51476 . . 1 . . . . . 208 HIS H . 27722 2 146 . 1 1 96 96 HIS N N 15 116.21731 . . 1 . . . . . 208 HIS N . 27722 2 147 . 1 1 97 97 PHE H H 1 8.57119 . . 1 . . . . . 209 PHE H . 27722 2 148 . 1 1 97 97 PHE N N 15 114.67609 . . 1 . . . . . 209 PHE N . 27722 2 149 . 1 1 98 98 LYS H H 1 9.72962 . . 1 . . . . . 210 LYS H . 27722 2 150 . 1 1 98 98 LYS N N 15 123.65884 . . 1 . . . . . 210 LYS N . 27722 2 151 . 1 1 100 100 ALA H H 1 9.29322 . . 1 . . . . . 212 ALA H . 27722 2 152 . 1 1 100 100 ALA N N 15 130.44118 . . 1 . . . . . 212 ALA N . 27722 2 153 . 1 1 101 101 VAL H H 1 8.50300 . . 1 . . . . . 213 VAL H . 27722 2 154 . 1 1 101 101 VAL N N 15 121.11889 . . 1 . . . . . 213 VAL N . 27722 2 155 . 1 1 102 102 ASN H H 1 9.92319 . . 1 . . . . . 214 ASN H . 27722 2 156 . 1 1 102 102 ASN N N 15 127.43268 . . 1 . . . . . 214 ASN N . 27722 2 157 . 1 1 103 103 ASP H H 1 8.99760 . . 1 . . . . . 215 ASP H . 27722 2 158 . 1 1 103 103 ASP N N 15 107.79398 . . 1 . . . . . 215 ASP N . 27722 2 159 . 1 1 104 104 ALA H H 1 7.69786 . . 1 . . . . . 216 ALA H . 27722 2 160 . 1 1 104 104 ALA N N 15 121.59334 . . 1 . . . . . 216 ALA N . 27722 2 161 . 1 1 107 107 LEU H H 1 7.58258 . . 1 . . . . . 219 LEU H . 27722 2 162 . 1 1 107 107 LEU N N 15 110.07925 . . 1 . . . . . 219 LEU N . 27722 2 163 . 1 1 108 108 GLN H H 1 8.79113 . . 1 . . . . . 220 GLN H . 27722 2 164 . 1 1 108 108 GLN N N 15 119.13226 . . 1 . . . . . 220 GLN N . 27722 2 165 . 1 1 109 109 TYR H H 1 8.95766 . . 1 . . . . . 221 TYR H . 27722 2 166 . 1 1 109 109 TYR N N 15 125.75188 . . 1 . . . . . 221 TYR N . 27722 2 167 . 1 1 110 110 ASN H H 1 9.37634 . . 1 . . . . . 222 ASN H . 27722 2 168 . 1 1 110 110 ASN N N 15 129.92053 . . 1 . . . . . 222 ASN N . 27722 2 169 . 1 1 111 111 HIS H H 1 7.17937 . . 1 . . . . . 223 HIS H . 27722 2 170 . 1 1 111 111 HIS N N 15 117.25057 . . 1 . . . . . 223 HIS N . 27722 2 171 . 1 1 112 112 ARG H H 1 9.50221 . . 1 . . . . . 224 ARG H . 27722 2 172 . 1 1 112 112 ARG N N 15 125.48634 . . 1 . . . . . 224 ARG N . 27722 2 173 . 1 1 113 113 VAL H H 1 8.40537 . . 1 . . . . . 225 VAL H . 27722 2 174 . 1 1 113 113 VAL N N 15 120.54763 . . 1 . . . . . 225 VAL N . 27722 2 175 . 1 1 115 115 LYS H H 1 7.10662 . . 1 . . . . . 227 LYS H . 27722 2 176 . 1 1 115 115 LYS N N 15 120.79516 . . 1 . . . . . 227 LYS N . 27722 2 177 . 1 1 116 116 LEU H H 1 7.66511 . . 1 . . . . . 228 LEU H . 27722 2 178 . 1 1 116 116 LEU N N 15 122.87772 . . 1 . . . . . 228 LEU N . 27722 2 179 . 1 1 117 117 ASN H H 1 8.42346 . . 1 . . . . . 229 ASN H . 27722 2 180 . 1 1 117 117 ASN N N 15 112.91860 . . 1 . . . . . 229 ASN N . 27722 2 181 . 1 1 118 118 GLU H H 1 7.43822 . . 1 . . . . . 230 GLU H . 27722 2 182 . 1 1 118 118 GLU N N 15 116.45225 . . 1 . . . . . 230 GLU N . 27722 2 183 . 1 1 119 119 ILE H H 1 7.71884 . . 1 . . . . . 231 ILE H . 27722 2 184 . 1 1 119 119 ILE N N 15 122.24037 . . 1 . . . . . 231 ILE N . 27722 2 185 . 1 1 120 120 SER H H 1 7.72806 . . 1 . . . . . 232 SER H . 27722 2 186 . 1 1 120 120 SER N N 15 116.21297 . . 1 . . . . . 232 SER N . 27722 2 187 . 1 1 121 121 LYS H H 1 7.88938 . . 1 . . . . . 233 LYS H . 27722 2 188 . 1 1 121 121 LYS N N 15 120.95636 . . 1 . . . . . 233 LYS N . 27722 2 189 . 1 1 122 122 LEU H H 1 8.62624 . . 1 . . . . . 234 LEU H . 27722 2 190 . 1 1 122 122 LEU N N 15 124.60078 . . 1 . . . . . 234 LEU N . 27722 2 191 . 1 1 123 123 GLY H H 1 9.37162 . . 1 . . . . . 235 GLY H . 27722 2 192 . 1 1 123 123 GLY N N 15 114.47925 . . 1 . . . . . 235 GLY N . 27722 2 193 . 1 1 124 124 ILE H H 1 9.22215 . . 1 . . . . . 236 ILE H . 27722 2 194 . 1 1 124 124 ILE N N 15 126.39759 . . 1 . . . . . 236 ILE N . 27722 2 195 . 1 1 126 126 GLY H H 1 9.08713 . . 1 . . . . . 238 GLY H . 27722 2 196 . 1 1 126 126 GLY N N 15 106.57969 . . 1 . . . . . 238 GLY N . 27722 2 197 . 1 1 127 127 ASP H H 1 8.76837 . . 1 . . . . . 239 ASP H . 27722 2 198 . 1 1 127 127 ASP N N 15 122.35201 . . 1 . . . . . 239 ASP N . 27722 2 199 . 1 1 128 128 ILE H H 1 8.02645 . . 1 . . . . . 240 ILE H . 27722 2 200 . 1 1 128 128 ILE N N 15 112.49735 . . 1 . . . . . 240 ILE N . 27722 2 201 . 1 1 129 129 ASP H H 1 8.92531 . . 1 . . . . . 241 ASP H . 27722 2 202 . 1 1 129 129 ASP N N 15 121.17786 . . 1 . . . . . 241 ASP N . 27722 2 203 . 1 1 130 130 LEU H H 1 9.30545 . . 1 . . . . . 242 LEU H . 27722 2 204 . 1 1 130 130 LEU N N 15 126.44715 . . 1 . . . . . 242 LEU N . 27722 2 205 . 1 1 131 131 THR H H 1 9.05671 . . 1 . . . . . 243 THR H . 27722 2 206 . 1 1 131 131 THR N N 15 121.56136 . . 1 . . . . . 243 THR N . 27722 2 207 . 1 1 132 132 SER H H 1 7.81000 . . 1 . . . . . 244 SER H . 27722 2 208 . 1 1 132 132 SER N N 15 111.98295 . . 1 . . . . . 244 SER N . 27722 2 209 . 1 1 133 133 ALA H H 1 8.32477 . . 1 . . . . . 245 ALA H . 27722 2 210 . 1 1 133 133 ALA N N 15 125.83651 . . 1 . . . . . 245 ALA N . 27722 2 211 . 1 1 134 134 SER H H 1 8.60261 . . 1 . . . . . 246 SER H . 27722 2 212 . 1 1 134 134 SER N N 15 115.23711 . . 1 . . . . . 246 SER N . 27722 2 213 . 1 1 135 135 TYR H H 1 8.39155 . . 1 . . . . . 247 TYR H . 27722 2 214 . 1 1 135 135 TYR N N 15 115.29180 . . 1 . . . . . 247 TYR N . 27722 2 215 . 1 1 136 136 THR H H 1 8.91500 . . 1 . . . . . 248 THR H . 27722 2 216 . 1 1 136 136 THR N N 15 115.16077 . . 1 . . . . . 248 THR N . 27722 2 217 . 1 1 137 137 MET H H 1 8.15233 . . 1 . . . . . 249 MET H . 27722 2 218 . 1 1 137 137 MET N N 15 120.85440 . . 1 . . . . . 249 MET N . 27722 2 219 . 1 1 138 138 ILE H H 1 8.63671 . . 1 . . . . . 250 ILE H . 27722 2 220 . 1 1 138 138 ILE N N 15 125.15855 . . 1 . . . . . 250 ILE N . 27722 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_backbone_Het_NOE_500 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode backbone_Het_NOE_500 _Heteronucl_NOE_list.Entry_ID 27722 _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 499260345 _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 8 '{H}-15N NOE' . . . 27722 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 3 $Analysis . . 27722 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.643054 0.045508 . . . 115 ILE N . 115 ILE H 27722 1 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.619180 0.044565 . . . 116 VAL N . 116 VAL H 27722 1 3 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.670163 0.060097 . . . 118 TYR N . 118 TYR H 27722 1 4 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.645160 0.069016 . . . 119 ASN N . 119 ASN H 27722 1 5 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.714445 0.063233 . . . 120 LEU N . 120 LEU H 27722 1 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.684510 0.059621 . . . 122 LEU N . 122 LEU H 27722 1 7 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.688426 0.051772 . . . 125 GLY N . 125 GLY H 27722 1 8 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.610211 0.052634 . . . 126 VAL N . 126 VAL H 27722 1 9 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.741359 0.067782 . . . 127 VAL N . 127 VAL H 27722 1 10 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.672080 0.073424 . . . 129 ARG N . 129 ARG H 27722 1 11 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.719970 0.053468 . . . 130 MET N . 130 MET H 27722 1 12 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.747069 0.080762 . . . 131 LEU N . 131 LEU H 27722 1 13 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.715884 0.056744 . . . 132 ILE N . 132 ILE H 27722 1 14 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.804386 0.056470 . . . 134 ILE N . 134 ILE H 27722 1 15 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.760310 0.062996 . . . 135 LEU N . 135 LEU H 27722 1 16 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.697684 0.048065 . . . 136 GLY N . 136 GLY H 27722 1 17 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.727876 0.059204 . . . 137 THR N . 137 THR H 27722 1 18 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.803595 0.075661 . . . 139 LYS N . 139 LYS H 27722 1 19 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.622813 0.039901 . . . 142 ALA N . 142 ALA H 27722 1 20 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.780052 0.071676 . . . 143 ASN N . 143 ASN H 27722 1 21 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.768679 0.070580 . . . 145 ILE N . 145 ILE H 27722 1 22 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.617323 0.052902 . . . 146 ALA N . 146 ALA H 27722 1 23 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.755145 0.073669 . . . 147 LEU N . 147 LEU H 27722 1 24 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.796710 0.071063 . . . 148 ASP N . 148 ASP H 27722 1 25 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.768359 0.066008 . . . 150 GLN N . 150 GLN H 27722 1 26 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.687536 0.059377 . . . 151 ARG N . 151 ARG H 27722 1 27 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.766720 0.059717 . . . 154 ASP N . 154 ASP H 27722 1 28 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.586174 0.068179 . . . 155 VAL N . 155 VAL H 27722 1 29 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.780113 0.053254 . . . 157 PHE N . 157 PHE H 27722 1 30 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.873216 0.099731 . . . 158 HIS N . 158 HIS H 27722 1 31 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.748912 0.072461 . . . 159 PHE N . 159 PHE H 27722 1 32 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.650521 0.066133 . . . 163 PHE N . 163 PHE H 27722 1 33 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.799072 0.059101 . . . 167 ASN N . 167 ASN H 27722 1 34 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.717031 0.042318 . . . 168 ARG N . 168 ARG H 27722 1 35 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.651298 0.053275 . . . 169 ARG N . 169 ARG H 27722 1 36 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.612410 0.051212 . . . 170 VAL N . 170 VAL H 27722 1 37 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.635877 0.047792 . . . 171 ILE N . 171 ILE H 27722 1 38 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.731734 0.063082 . . . 172 VAL N . 172 VAL H 27722 1 39 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.654370 0.067188 . . . 173 CYS N . 173 CYS H 27722 1 40 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.617689 0.056490 . . . 174 ASN N . 174 ASN H 27722 1 41 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.773824 0.057352 . . . 175 THR N . 175 THR H 27722 1 42 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.775211 0.089713 . . . 176 LYS N . 176 LYS H 27722 1 43 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.669008 0.049005 . . . 177 LEU N . 177 LEU H 27722 1 44 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.688309 0.045295 . . . 178 ASP N . 178 ASP H 27722 1 45 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.607137 0.055075 . . . 179 ASN N . 179 ASN H 27722 1 46 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.714826 0.042519 . . . 180 ASN N . 180 ASN H 27722 1 47 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.672789 0.062249 . . . 181 TRP N . 181 TRP H 27722 1 48 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.764162 0.065365 . . . 182 GLY N . 182 GLY H 27722 1 49 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.741323 0.069903 . . . 183 ARG N . 183 ARG H 27722 1 50 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.720133 0.076451 . . . 186 ARG N . 186 ARG H 27722 1 51 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.620319 0.060271 . . . 187 GLN N . 187 GLN H 27722 1 52 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.743327 0.062184 . . . 189 VAL N . 189 VAL H 27722 1 53 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.680953 0.066898 . . . 190 PHE N . 190 PHE H 27722 1 54 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.613035 0.045711 . . . 192 PHE N . 192 PHE H 27722 1 55 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.600268 0.073648 . . . 194 SER N . 194 SER H 27722 1 56 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.754536 0.069543 . . . 195 GLY N . 195 GLY H 27722 1 57 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.738092 0.050919 . . . 196 LYS N . 196 LYS H 27722 1 58 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.724682 0.057430 . . . 198 PHE N . 198 PHE H 27722 1 59 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.778496 0.061106 . . . 199 LYS N . 199 LYS H 27722 1 60 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.778821 0.055803 . . . 200 ILE N . 200 ILE H 27722 1 61 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.818225 0.063495 . . . 202 VAL N . 202 VAL H 27722 1 62 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.786348 0.073130 . . . 203 LEU N . 203 LEU H 27722 1 63 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.759209 0.077274 . . . 204 VAL N . 204 VAL H 27722 1 64 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.829872 0.097821 . . . 207 ASP N . 207 ASP H 27722 1 65 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.796832 0.071889 . . . 208 HIS N . 208 HIS H 27722 1 66 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.716910 0.069841 . . . 209 PHE N . 209 PHE H 27722 1 67 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.751419 0.061104 . . . 210 LYS N . 210 LYS H 27722 1 68 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.699125 0.059785 . . . 212 ALA N . 212 ALA H 27722 1 69 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.648388 0.061572 . . . 213 VAL N . 213 VAL H 27722 1 70 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.696409 0.052515 . . . 214 ASN N . 214 ASN H 27722 1 71 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.630799 0.057581 . . . 215 ASP N . 215 ASP H 27722 1 72 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.734475 0.041175 . . . 216 ALA N . 216 ALA H 27722 1 73 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.691395 0.057244 . . . 219 LEU N . 219 LEU H 27722 1 74 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.602012 0.056421 . . . 220 GLN N . 220 GLN H 27722 1 75 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.721893 0.061064 . . . 222 ASN N . 222 ASN H 27722 1 76 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.759836 0.063041 . . . 223 HIS N . 223 HIS H 27722 1 77 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.617750 0.084287 . . . 224 ARG N . 224 ARG H 27722 1 78 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.846653 0.102034 . . . 225 VAL N . 225 VAL H 27722 1 79 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.439849 0.102802 . . . 227 LYS N . 227 LYS H 27722 1 80 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.863469 0.070870 . . . 228 LEU N . 228 LEU H 27722 1 81 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.623683 0.045892 . . . 229 ASN N . 229 ASN H 27722 1 82 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.702497 0.051004 . . . 230 GLU N . 230 GLU H 27722 1 83 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.680313 0.050082 . . . 231 ILE N . 231 ILE H 27722 1 84 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.671323 0.056984 . . . 232 SER N . 232 SER H 27722 1 85 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.663285 0.046565 . . . 233 LYS N . 233 LYS H 27722 1 86 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.730909 0.065624 . . . 234 LEU N . 234 LEU H 27722 1 87 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.718249 0.063528 . . . 235 GLY N . 235 GLY H 27722 1 88 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.653551 0.067846 . . . 236 ILE N . 236 ILE H 27722 1 89 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.756173 0.075874 . . . 238 GLY N . 238 GLY H 27722 1 90 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.671280 0.060254 . . . 239 ASP N . 239 ASP H 27722 1 91 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.736644 0.059025 . . . 240 ILE N . 240 ILE H 27722 1 92 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.691524 0.066214 . . . 241 ASP N . 241 ASP H 27722 1 93 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.656413 0.056807 . . . 242 LEU N . 242 LEU H 27722 1 94 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.636543 0.077756 . . . 243 THR N . 243 THR H 27722 1 95 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.759724 0.053392 . . . 244 SER N . 244 SER H 27722 1 96 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.656953 0.052165 . . . 245 ALA N . 245 ALA H 27722 1 97 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.800685 0.061303 . . . 246 SER N . 246 SER H 27722 1 98 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.720204 0.049929 . . . 247 TYR N . 247 TYR H 27722 1 99 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.737515 0.057188 . . . 248 THR N . 248 THR H 27722 1 100 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.741629 0.056298 . . . 249 MET N . 249 MET H 27722 1 101 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.645134 0.059220 . . . 250 ILE N . 250 ILE H 27722 1 stop_ save_ save_backbone_Het_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode backbone_Het_NOE_600 _Heteronucl_NOE_list.Entry_ID 27722 _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 599882216 _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 8 '{H}-15N NOE' . . . 27722 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 3 $Analysis . . 27722 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.689251 0.037346 . . . 115 ILE N . 115 ILE H 27722 2 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.678047 0.036705 . . . 116 VAL N . 116 VAL H 27722 2 3 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.753013 0.042390 . . . 118 TYR N . 118 TYR H 27722 2 4 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.762678 0.049434 . . . 119 ASN N . 119 ASN H 27722 2 5 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.809258 0.049886 . . . 120 LEU N . 120 LEU H 27722 2 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.793008 0.042882 . . . 122 LEU N . 122 LEU H 27722 2 7 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.829205 0.043633 . . . 125 GLY N . 125 GLY H 27722 2 8 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.735551 0.039243 . . . 126 VAL N . 126 VAL H 27722 2 9 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.660953 0.040055 . . . 127 VAL N . 127 VAL H 27722 2 10 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.673248 0.045143 . . . 129 ARG N . 129 ARG H 27722 2 11 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.815780 0.041778 . . . 130 MET N . 130 MET H 27722 2 12 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.839560 0.054071 . . . 131 LEU N . 131 LEU H 27722 2 13 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.769214 0.047381 . . . 132 ILE N . 132 ILE H 27722 2 14 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.817222 0.045556 . . . 134 ILE N . 134 ILE H 27722 2 15 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.818312 0.043190 . . . 135 LEU N . 135 LEU H 27722 2 16 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.754309 0.033398 . . . 136 GLY N . 136 GLY H 27722 2 17 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.766201 0.039038 . . . 137 THR N . 137 THR H 27722 2 18 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.827499 0.055913 . . . 139 LYS N . 139 LYS H 27722 2 19 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.631331 0.029518 . . . 142 ALA N . 142 ALA H 27722 2 20 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.821949 0.055986 . . . 143 ASN N . 143 ASN H 27722 2 21 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.824356 0.052022 . . . 145 ILE N . 145 ILE H 27722 2 22 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.730538 0.037072 . . . 146 ALA N . 146 ALA H 27722 2 23 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.827813 0.060651 . . . 147 LEU N . 147 LEU H 27722 2 24 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.787827 0.039878 . . . 148 ASP N . 148 ASP H 27722 2 25 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.774292 0.048229 . . . 150 GLN N . 150 GLN H 27722 2 26 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.835895 0.055525 . . . 151 ARG N . 151 ARG H 27722 2 27 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.745333 0.042091 . . . 154 ASP N . 154 ASP H 27722 2 28 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.737868 0.049278 . . . 155 VAL N . 155 VAL H 27722 2 29 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.748682 0.040291 . . . 157 PHE N . 157 PHE H 27722 2 30 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.821361 0.058528 . . . 158 HIS N . 158 HIS H 27722 2 31 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.829200 0.053706 . . . 159 PHE N . 159 PHE H 27722 2 32 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.762986 0.066462 . . . 163 PHE N . 163 PHE H 27722 2 33 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.844867 0.047233 . . . 167 ASN N . 167 ASN H 27722 2 34 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.787619 0.035239 . . . 168 ARG N . 168 ARG H 27722 2 35 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.773734 0.046123 . . . 169 ARG N . 169 ARG H 27722 2 36 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.792446 0.043268 . . . 170 VAL N . 170 VAL H 27722 2 37 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.784937 0.044284 . . . 171 ILE N . 171 ILE H 27722 2 38 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.769610 0.044035 . . . 172 VAL N . 172 VAL H 27722 2 39 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.760115 0.046917 . . . 173 CYS N . 173 CYS H 27722 2 40 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.774363 0.042901 . . . 174 ASN N . 174 ASN H 27722 2 41 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.839812 0.052341 . . . 175 THR N . 175 THR H 27722 2 42 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.859124 0.054955 . . . 176 LYS N . 176 LYS H 27722 2 43 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.869894 0.049849 . . . 177 LEU N . 177 LEU H 27722 2 44 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.819466 0.040755 . . . 178 ASP N . 178 ASP H 27722 2 45 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.800882 0.044115 . . . 179 ASN N . 179 ASN H 27722 2 46 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.765832 0.034066 . . . 180 ASN N . 180 ASN H 27722 2 47 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.785773 0.049349 . . . 181 TRP N . 181 TRP H 27722 2 48 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.751471 0.046021 . . . 182 GLY N . 182 GLY H 27722 2 49 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.823142 0.048719 . . . 183 ARG N . 183 ARG H 27722 2 50 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.808296 0.049646 . . . 185 GLU N . 185 GLU H 27722 2 51 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.791114 0.051026 . . . 187 GLN N . 187 GLN H 27722 2 52 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.861896 0.052934 . . . 189 VAL N . 189 VAL H 27722 2 53 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.798642 0.062490 . . . 190 PHE N . 190 PHE H 27722 2 54 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.834905 0.049945 . . . 192 PHE N . 192 PHE H 27722 2 55 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.780226 0.063746 . . . 194 SER N . 194 SER H 27722 2 56 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.756492 0.045687 . . . 195 GLY N . 195 GLY H 27722 2 57 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.669713 0.029681 . . . 196 LYS N . 196 LYS H 27722 2 58 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.746745 0.039348 . . . 198 PHE N . 198 PHE H 27722 2 59 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.769050 0.047412 . . . 199 LYS N . 199 LYS H 27722 2 60 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.787771 0.040624 . . . 200 ILE N . 200 ILE H 27722 2 61 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.769828 0.046063 . . . 202 VAL N . 202 VAL H 27722 2 62 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.841875 0.055956 . . . 203 LEU N . 203 LEU H 27722 2 63 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.793488 0.049274 . . . 204 VAL N . 204 VAL H 27722 2 64 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.713813 0.068816 . . . 207 ASP N . 207 ASP H 27722 2 65 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.734640 0.042756 . . . 208 HIS N . 208 HIS H 27722 2 66 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.824682 0.054239 . . . 209 PHE N . 209 PHE H 27722 2 67 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.746273 0.049166 . . . 210 LYS N . 210 LYS H 27722 2 68 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.840689 0.044255 . . . 212 ALA N . 212 ALA H 27722 2 69 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.812853 0.048295 . . . 213 VAL N . 213 VAL H 27722 2 70 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.787908 0.046364 . . . 214 ASN N . 214 ASN H 27722 2 71 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.784758 0.045107 . . . 215 ASP N . 215 ASP H 27722 2 72 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.841231 0.039372 . . . 216 ALA N . 216 ALA H 27722 2 73 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.860726 0.060658 . . . 219 LEU N . 219 LEU H 27722 2 74 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.814899 0.045665 . . . 220 GLN N . 220 GLN H 27722 2 75 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.766472 0.043686 . . . 222 ASN N . 222 ASN H 27722 2 76 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.892743 0.046126 . . . 223 HIS N . 223 HIS H 27722 2 77 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.781050 0.065324 . . . 224 ARG N . 224 ARG H 27722 2 78 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.773104 0.060073 . . . 225 VAL N . 225 VAL H 27722 2 79 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.625740 0.069638 . . . 227 LYS N . 227 LYS H 27722 2 80 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.752185 0.049185 . . . 228 LEU N . 228 LEU H 27722 2 81 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.744218 0.042113 . . . 229 ASN N . 229 ASN H 27722 2 82 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.805905 0.049754 . . . 230 GLU N . 230 GLU H 27722 2 83 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.842637 0.044457 . . . 231 ILE N . 231 ILE H 27722 2 84 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.717162 0.046184 . . . 232 SER N . 232 SER H 27722 2 85 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.835316 0.040607 . . . 233 LYS N . 233 LYS H 27722 2 86 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.805300 0.046134 . . . 234 LEU N . 234 LEU H 27722 2 87 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.750625 0.045074 . . . 235 GLY N . 235 GLY H 27722 2 88 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.774745 0.049371 . . . 236 ILE N . 236 ILE H 27722 2 89 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.853493 0.056943 . . . 238 GLY N . 238 GLY H 27722 2 90 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.812382 0.046078 . . . 239 ASP N . 239 ASP H 27722 2 91 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.849222 0.047932 . . . 240 ILE N . 240 ILE H 27722 2 92 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.818682 0.045909 . . . 241 ASP N . 241 ASP H 27722 2 93 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.721281 0.042313 . . . 242 LEU N . 242 LEU H 27722 2 94 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.742922 0.053993 . . . 243 THR N . 243 THR H 27722 2 95 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.867422 0.045002 . . . 244 SER N . 244 SER H 27722 2 96 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.790373 0.043161 . . . 245 ALA N . 245 ALA H 27722 2 97 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.750672 0.037802 . . . 246 SER N . 246 SER H 27722 2 98 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.776573 0.039660 . . . 247 TYR N . 247 TYR H 27722 2 99 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.860070 0.048018 . . . 248 THR N . 248 THR H 27722 2 100 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.802688 0.044096 . . . 249 MET N . 249 MET H 27722 2 101 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.755320 0.040794 . . . 250 ILE N . 250 ILE H 27722 2 stop_ save_ save_backbone_Het_NOE_900 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode backbone_Het_NOE_900 _Heteronucl_NOE_list.Entry_ID 27722 _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 899894229 _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 8 '{H}-15N NOE' . . . 27722 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 3 $Analysis . . 27722 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 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.703713 0.010358 . . . 115 ILE N . 115 ILE H 27722 3 2 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.752118 0.011962 . . . 116 VAL N . 116 VAL H 27722 3 3 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.880621 0.016384 . . . 118 TYR N . 118 TYR H 27722 3 4 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.854386 0.016377 . . . 119 ASN N . 119 ASN H 27722 3 5 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.858915 0.016435 . . . 120 LEU N . 120 LEU H 27722 3 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.826619 0.014483 . . . 122 LEU N . 122 LEU H 27722 3 7 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.851599 0.013380 . . . 125 GLY N . 125 GLY H 27722 3 8 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.794707 0.013920 . . . 126 VAL N . 126 VAL H 27722 3 9 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.786626 0.013165 . . . 127 VAL N . 127 VAL H 27722 3 10 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.872038 0.017301 . . . 129 ARG N . 129 ARG H 27722 3 11 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.868800 0.013612 . . . 130 MET N . 130 MET H 27722 3 12 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.819587 0.017362 . . . 131 LEU N . 131 LEU H 27722 3 13 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.856672 0.016642 . . . 132 ILE N . 132 ILE H 27722 3 14 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.832483 0.014079 . . . 134 ILE N . 134 ILE H 27722 3 15 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.830006 0.014054 . . . 135 LEU N . 135 LEU H 27722 3 16 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.858944 0.011992 . . . 136 GLY N . 136 GLY H 27722 3 17 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.829389 0.013336 . . . 137 THR N . 137 THR H 27722 3 18 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.868490 0.017570 . . . 139 LYS N . 139 LYS H 27722 3 19 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.758923 0.009903 . . . 142 ALA N . 142 ALA H 27722 3 20 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.884883 0.021509 . . . 143 ASN N . 143 ASN H 27722 3 21 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.866445 0.015061 . . . 145 ILE N . 145 ILE H 27722 3 22 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.876217 0.013960 . . . 146 ALA N . 146 ALA H 27722 3 23 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.838600 0.018700 . . . 147 LEU N . 147 LEU H 27722 3 24 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.839535 0.013360 . . . 148 ASP N . 148 ASP H 27722 3 25 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.840200 0.015821 . . . 150 GLN N . 150 GLN H 27722 3 26 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.825764 0.015915 . . . 151 ARG N . 151 ARG H 27722 3 27 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.854115 0.014530 . . . 154 ASP N . 154 ASP H 27722 3 28 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.821436 0.019616 . . . 155 VAL N . 155 VAL H 27722 3 29 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.884885 0.014517 . . . 157 PHE N . 157 PHE H 27722 3 30 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.827802 0.024444 . . . 158 HIS N . 158 HIS H 27722 3 31 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.871157 0.017449 . . . 159 PHE N . 159 PHE H 27722 3 32 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.843465 0.018065 . . . 163 PHE N . 163 PHE H 27722 3 33 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.795440 0.013992 . . . 167 ASN N . 167 ASN H 27722 3 34 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.801172 0.010867 . . . 168 ARG N . 168 ARG H 27722 3 35 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.800481 0.013264 . . . 169 ARG N . 169 ARG H 27722 3 36 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.833262 0.013592 . . . 170 VAL N . 170 VAL H 27722 3 37 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.860726 0.014555 . . . 171 ILE N . 171 ILE H 27722 3 38 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.847687 0.016782 . . . 172 VAL N . 172 VAL H 27722 3 39 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.882627 0.018091 . . . 173 CYS N . 173 CYS H 27722 3 40 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.844880 0.013455 . . . 174 ASN N . 174 ASN H 27722 3 41 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.834045 0.018931 . . . 175 THR N . 175 THR H 27722 3 42 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.838815 0.017784 . . . 176 LYS N . 176 LYS H 27722 3 43 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.823043 0.013665 . . . 177 LEU N . 177 LEU H 27722 3 44 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.837288 0.013311 . . . 178 ASP N . 178 ASP H 27722 3 45 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.837847 0.016780 . . . 179 ASN N . 179 ASN H 27722 3 46 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.812079 0.010326 . . . 180 ASN N . 180 ASN H 27722 3 47 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.880091 0.016431 . . . 181 TRP N . 181 TRP H 27722 3 48 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.843484 0.014595 . . . 182 GLY N . 182 GLY H 27722 3 49 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.873293 0.017278 . . . 183 ARG N . 183 ARG H 27722 3 50 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.839507 0.016572 . . . 185 GLU N . 185 GLU H 27722 3 51 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.817956 0.014919 . . . 187 GLN N . 187 GLN H 27722 3 52 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.814970 0.015208 . . . 189 VAL N . 189 VAL H 27722 3 53 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.865531 0.019173 . . . 190 PHE N . 190 PHE H 27722 3 54 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.771663 0.011218 . . . 192 PHE N . 192 PHE H 27722 3 55 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.806375 0.020718 . . . 194 SER N . 194 SER H 27722 3 56 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.836447 0.015983 . . . 195 GLY N . 195 GLY H 27722 3 57 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.850468 0.013167 . . . 196 LYS N . 196 LYS H 27722 3 58 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.849581 0.012246 . . . 198 PHE N . 198 PHE H 27722 3 59 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.878941 0.016849 . . . 199 LYS N . 199 LYS H 27722 3 60 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.860110 0.014116 . . . 200 ILE N . 200 ILE H 27722 3 61 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.854986 0.015655 . . . 202 VAL N . 202 VAL H 27722 3 62 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.843267 0.021735 . . . 203 LEU N . 203 LEU H 27722 3 63 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.872716 0.018992 . . . 204 VAL N . 204 VAL H 27722 3 64 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.910538 0.044260 . . . 207 ASP N . 207 ASP H 27722 3 65 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.881883 0.023739 . . . 208 HIS N . 208 HIS H 27722 3 66 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.873348 0.019384 . . . 209 PHE N . 209 PHE H 27722 3 67 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.848804 0.019259 . . . 210 LYS N . 210 LYS H 27722 3 68 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.885318 0.018345 . . . 212 ALA N . 212 ALA H 27722 3 69 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.843430 0.017419 . . . 213 VAL N . 213 VAL H 27722 3 70 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.845467 0.016300 . . . 214 ASN N . 214 ASN H 27722 3 71 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.828466 0.015119 . . . 215 ASP N . 215 ASP H 27722 3 72 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.855002 0.012444 . . . 216 ALA N . 216 ALA H 27722 3 73 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.852679 0.020507 . . . 219 LEU N . 219 LEU H 27722 3 74 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.845933 0.014949 . . . 220 GLN N . 220 GLN H 27722 3 75 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.893449 0.018196 . . . 222 ASN N . 222 ASN H 27722 3 76 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.835791 0.014177 . . . 223 HIS N . 223 HIS H 27722 3 77 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.827245 0.021968 . . . 224 ARG N . 224 ARG H 27722 3 78 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.794468 0.018022 . . . 225 VAL N . 225 VAL H 27722 3 79 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.766970 0.026576 . . . 227 LYS N . 227 LYS H 27722 3 80 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.833169 0.015086 . . . 228 LEU N . 228 LEU H 27722 3 81 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.855162 0.013121 . . . 229 ASN N . 229 ASN H 27722 3 82 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.846279 0.013053 . . . 230 GLU N . 230 GLU H 27722 3 83 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.847567 0.015037 . . . 231 ILE N . 231 ILE H 27722 3 84 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.735984 0.013239 . . . 232 SER N . 232 SER H 27722 3 85 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.847367 0.011863 . . . 233 LYS N . 233 LYS H 27722 3 86 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.854497 0.015597 . . . 234 LEU N . 234 LEU H 27722 3 87 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.874497 0.019230 . . . 235 GLY N . 235 GLY H 27722 3 88 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.831510 0.019182 . . . 236 ILE N . 236 ILE H 27722 3 89 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.843624 0.018974 . . . 238 GLY N . 238 GLY H 27722 3 90 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.860641 0.015197 . . . 239 ASP N . 239 ASP H 27722 3 91 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.856776 0.014569 . . . 240 ILE N . 240 ILE H 27722 3 92 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.859645 0.016204 . . . 241 ASP N . 241 ASP H 27722 3 93 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.842461 0.017332 . . . 242 LEU N . 242 LEU H 27722 3 94 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.855536 0.017938 . . . 243 THR N . 243 THR H 27722 3 95 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.841745 0.012091 . . . 244 SER N . 244 SER H 27722 3 96 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.827388 0.012676 . . . 245 ALA N . 245 ALA H 27722 3 97 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.845557 0.012081 . . . 246 SER N . 246 SER H 27722 3 98 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.846460 0.012436 . . . 247 TYR N . 247 TYR H 27722 3 99 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.864031 0.013803 . . . 248 THR N . 248 THR H 27722 3 100 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.822312 0.012091 . . . 249 MET N . 249 MET H 27722 3 101 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.819228 0.013336 . . . 250 ILE N . 250 ILE H 27722 3 stop_ save_ save_Arg_Ne_Het_NOE_500 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode Arg_Ne_Het_NOE_500 _Heteronucl_NOE_list.Entry_ID 27722 _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 499260345 _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 8 '{H}-15N NOE' . . . 27722 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 3 $Analysis . . 27722 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 ARG NE N 15 . 1 1 17 17 ARG HE H 1 0.192543842 0.036626248 . . . 129 ARG NE . 129 ARG HE 27722 4 2 . 1 1 50 50 ARG NE N 15 . 1 1 50 50 ARG HE H 1 0.774573589 0.044175293 . . . 162 ARG NE . 162 ARG HE 27722 4 3 . 1 1 56 56 ARG NE N 15 . 1 1 56 56 ARG HE H 1 0.460438178 0.029287512 . . . 168 ARG NE . 168 ARG HE 27722 4 4 . 1 1 74 74 ARG NE N 15 . 1 1 74 74 ARG HE H 1 0.703560496 0.038850918 . . . 186 ARG NE . 186 ARG HE 27722 4 5 . 1 1 112 112 ARG NE N 15 . 1 1 112 112 ARG HE H 1 0.755335918 0.033230399 . . . 224 ARG NE . 224 ARG HE 27722 4 stop_ save_ save_Arg_Ne_Het_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode Arg_Ne_Het_NOE_600 _Heteronucl_NOE_list.Entry_ID 27722 _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 599882216 _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 8 '{H}-15N NOE' . . . 27722 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 3 $Analysis . . 27722 5 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 17 17 ARG NE N 15 . 1 1 17 17 ARG HE H 1 0.167617061 0.022518333 . . . 129 ARG NE . 129 ARG HE 27722 5 2 . 1 1 50 50 ARG NE N 15 . 1 1 50 50 ARG HE H 1 0.724839943 0.026362784 . . . 162 ARG NE . 162 ARG HE 27722 5 3 . 1 1 56 56 ARG NE N 15 . 1 1 56 56 ARG HE H 1 0.464003656 0.01877389 . . . 168 ARG NE . 168 ARG HE 27722 5 4 . 1 1 74 74 ARG NE N 15 . 1 1 74 74 ARG HE H 1 0.833577532 0.026689537 . . . 186 ARG NE . 186 ARG HE 27722 5 5 . 1 1 112 112 ARG NE N 15 . 1 1 112 112 ARG HE H 1 0.768653142 0.023562707 . . . 224 ARG NE . 224 ARG HE 27722 5 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_backbone_15N_T1_500 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode backbone_15N_T1_500 _Heteronucl_T1_list.Entry_ID 27722 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 499260345 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 '15N T1' . . . 27722 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $Analysis . . 27722 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ILE N N 15 1.637970 0.028630 . . 115 ILE N 27722 1 2 . 1 1 4 4 VAL N N 15 1.808100 0.016590 . . 116 VAL N 27722 1 3 . 1 1 6 6 TYR N N 15 2.047290 0.031740 . . 118 TYR N 27722 1 4 . 1 1 7 7 ASN N N 15 2.038290 0.091830 . . 119 ASN N 27722 1 5 . 1 1 8 8 LEU N N 15 1.929820 0.012910 . . 120 LEU N 27722 1 6 . 1 1 10 10 LEU N N 15 1.907780 0.014760 . . 122 LEU N 27722 1 7 . 1 1 13 13 GLY N N 15 2.010550 0.030550 . . 125 GLY N 27722 1 8 . 1 1 14 14 VAL N N 15 1.844170 0.018970 . . 126 VAL N 27722 1 9 . 1 1 15 15 VAL N N 15 1.965480 0.028630 . . 127 VAL N 27722 1 10 . 1 1 17 17 ARG N N 15 1.951960 0.035050 . . 129 ARG N 27722 1 11 . 1 1 18 18 MET N N 15 2.034430 0.035010 . . 130 MET N 27722 1 12 . 1 1 19 19 LEU N N 15 1.993480 0.020090 . . 131 LEU N 27722 1 13 . 1 1 20 20 ILE N N 15 2.017390 0.030790 . . 132 ILE N 27722 1 14 . 1 1 22 22 ILE N N 15 2.077560 0.023900 . . 134 ILE N 27722 1 15 . 1 1 23 23 LEU N N 15 2.042650 0.024690 . . 135 LEU N 27722 1 16 . 1 1 24 24 GLY N N 15 2.094810 0.043670 . . 136 GLY N 27722 1 17 . 1 1 25 25 THR N N 15 2.025920 0.032850 . . 137 THR N 27722 1 18 . 1 1 27 27 LYS N N 15 2.034510 0.022910 . . 139 LYS N 27722 1 19 . 1 1 30 30 ALA N N 15 1.861700 0.036300 . . 142 ALA N 27722 1 20 . 1 1 31 31 ASN N N 15 1.946160 0.034690 . . 143 ASN N 27722 1 21 . 1 1 33 33 ILE N N 15 2.070210 0.032020 . . 145 ILE N 27722 1 22 . 1 1 34 34 ALA N N 15 2.036530 0.025420 . . 146 ALA N 27722 1 23 . 1 1 35 35 LEU N N 15 2.014110 0.036130 . . 147 LEU N 27722 1 24 . 1 1 36 36 ASP N N 15 1.922160 0.021270 . . 148 ASP N 27722 1 25 . 1 1 38 38 GLN N N 15 2.002810 0.028190 . . 150 GLN N 27722 1 26 . 1 1 39 39 ARG N N 15 1.983600 0.029550 . . 151 ARG N 27722 1 27 . 1 1 42 42 ASP N N 15 1.925430 0.023900 . . 154 ASP N 27722 1 28 . 1 1 43 43 VAL N N 15 1.967830 0.022760 . . 155 VAL N 27722 1 29 . 1 1 45 45 PHE N N 15 2.154290 0.046930 . . 157 PHE N 27722 1 30 . 1 1 46 46 HIS N N 15 2.030640 0.043800 . . 158 HIS N 27722 1 31 . 1 1 47 47 PHE N N 15 2.038130 0.030350 . . 159 PHE N 27722 1 32 . 1 1 51 51 PHE N N 15 2.041470 0.018860 . . 163 PHE N 27722 1 33 . 1 1 55 55 ASN N N 15 2.052530 0.027520 . . 167 ASN N 27722 1 34 . 1 1 56 56 ARG N N 15 1.915720 0.017110 . . 168 ARG N 27722 1 35 . 1 1 57 57 ARG N N 15 1.905620 0.021930 . . 169 ARG N 27722 1 36 . 1 1 58 58 VAL N N 15 2.054720 0.018890 . . 170 VAL N 27722 1 37 . 1 1 59 59 ILE N N 15 2.025240 0.020600 . . 171 ILE N 27722 1 38 . 1 1 60 60 VAL N N 15 2.016650 0.040710 . . 172 VAL N 27722 1 39 . 1 1 61 61 CYS N N 15 2.028130 0.020550 . . 173 CYS N 27722 1 40 . 1 1 62 62 ASN N N 15 1.999850 0.020140 . . 174 ASN N 27722 1 41 . 1 1 63 63 THR N N 15 1.921610 0.033720 . . 175 THR N 27722 1 42 . 1 1 64 64 LYS N N 15 2.010000 0.022140 . . 176 LYS N 27722 1 43 . 1 1 65 65 LEU N N 15 1.953810 0.019960 . . 177 LEU N 27722 1 44 . 1 1 66 66 ASP N N 15 1.993540 0.025560 . . 178 ASP N 27722 1 45 . 1 1 67 67 ASN N N 15 1.994160 0.051690 . . 179 ASN N 27722 1 46 . 1 1 68 68 ASN N N 15 1.878750 0.025780 . . 180 ASN N 27722 1 47 . 1 1 69 69 TRP N N 15 2.051090 0.064300 . . 181 TRP N 27722 1 48 . 1 1 70 70 GLY N N 15 1.993810 0.020930 . . 182 GLY N 27722 1 49 . 1 1 71 71 ARG N N 15 2.107690 0.056780 . . 183 ARG N 27722 1 50 . 1 1 73 73 GLU N N 15 1.945920 0.033930 . . 185 GLU N 27722 1 51 . 1 1 75 75 GLN N N 15 1.989950 0.021220 . . 187 GLN N 27722 1 52 . 1 1 77 77 VAL N N 15 1.922570 0.030220 . . 189 VAL N 27722 1 53 . 1 1 78 78 PHE N N 15 2.116610 0.111290 . . 190 PHE N 27722 1 54 . 1 1 80 80 PHE N N 15 1.526880 0.023400 . . 192 PHE N 27722 1 55 . 1 1 82 82 SER N N 15 1.924340 0.079710 . . 194 SER N 27722 1 56 . 1 1 83 83 GLY N N 15 1.998390 0.017200 . . 195 GLY N 27722 1 57 . 1 1 84 84 LYS N N 15 1.985360 0.022180 . . 196 LYS N 27722 1 58 . 1 1 86 86 PHE N N 15 1.993610 0.012720 . . 198 PHE N 27722 1 59 . 1 1 87 87 LYS N N 15 2.006760 0.030390 . . 199 LYS N 27722 1 60 . 1 1 88 88 ILE N N 15 2.021780 0.028430 . . 200 ILE N 27722 1 61 . 1 1 90 90 VAL N N 15 1.945060 0.016680 . . 202 VAL N 27722 1 62 . 1 1 91 91 LEU N N 15 2.019270 0.017960 . . 203 LEU N 27722 1 63 . 1 1 92 92 VAL N N 15 2.061810 0.029250 . . 204 VAL N 27722 1 64 . 1 1 95 95 ASP N N 15 2.135380 0.087300 . . 207 ASP N 27722 1 65 . 1 1 96 96 HIS N N 15 2.014590 0.016760 . . 208 HIS N 27722 1 66 . 1 1 97 97 PHE N N 15 2.032980 0.031840 . . 209 PHE N 27722 1 67 . 1 1 98 98 LYS N N 15 1.970660 0.030010 . . 210 LYS N 27722 1 68 . 1 1 100 100 ALA N N 15 2.068350 0.025990 . . 212 ALA N 27722 1 69 . 1 1 101 101 VAL N N 15 1.979570 0.018600 . . 213 VAL N 27722 1 70 . 1 1 102 102 ASN N N 15 2.078590 0.021090 . . 214 ASN N 27722 1 71 . 1 1 103 103 ASP N N 15 2.061890 0.036170 . . 215 ASP N 27722 1 72 . 1 1 104 104 ALA N N 15 1.948430 0.026090 . . 216 ALA N 27722 1 73 . 1 1 107 107 LEU N N 15 2.027720 0.040080 . . 219 LEU N 27722 1 74 . 1 1 108 108 GLN N N 15 2.006170 0.014540 . . 220 GLN N 27722 1 75 . 1 1 110 110 ASN N N 15 1.988130 0.030530 . . 222 ASN N 27722 1 76 . 1 1 111 111 HIS N N 15 2.014310 0.035650 . . 223 HIS N 27722 1 77 . 1 1 112 112 ARG N N 15 1.954540 0.052970 . . 224 ARG N 27722 1 78 . 1 1 113 113 VAL N N 15 1.736090 0.016760 . . 225 VAL N 27722 1 79 . 1 1 115 115 LYS N N 15 1.934550 0.106690 . . 227 LYS N 27722 1 80 . 1 1 116 116 LEU N N 15 2.019390 0.013340 . . 228 LEU N 27722 1 81 . 1 1 117 117 ASN N N 15 2.148820 0.025540 . . 229 ASN N 27722 1 82 . 1 1 118 118 GLU N N 15 2.078440 0.019800 . . 230 GLU N 27722 1 83 . 1 1 119 119 ILE N N 15 2.022840 0.022710 . . 231 ILE N 27722 1 84 . 1 1 120 120 SER N N 15 1.832190 0.030490 . . 232 SER N 27722 1 85 . 1 1 121 121 LYS N N 15 2.090130 0.026230 . . 233 LYS N 27722 1 86 . 1 1 122 122 LEU N N 15 1.983320 0.026720 . . 234 LEU N 27722 1 87 . 1 1 123 123 GLY N N 15 1.999030 0.028500 . . 235 GLY N 27722 1 88 . 1 1 124 124 ILE N N 15 2.006330 0.021840 . . 236 ILE N 27722 1 89 . 1 1 126 126 GLY N N 15 2.091840 0.028230 . . 238 GLY N 27722 1 90 . 1 1 127 127 ASP N N 15 1.949050 0.014400 . . 239 ASP N 27722 1 91 . 1 1 128 128 ILE N N 15 2.065700 0.016910 . . 240 ILE N 27722 1 92 . 1 1 129 129 ASP N N 15 2.071700 0.024690 . . 241 ASP N 27722 1 93 . 1 1 130 130 LEU N N 15 1.953520 0.017970 . . 242 LEU N 27722 1 94 . 1 1 131 131 THR N N 15 2.077990 0.032590 . . 243 THR N 27722 1 95 . 1 1 132 132 SER N N 15 2.028190 0.039300 . . 244 SER N 27722 1 96 . 1 1 133 133 ALA N N 15 2.057170 0.014530 . . 245 ALA N 27722 1 97 . 1 1 134 134 SER N N 15 1.980770 0.022220 . . 246 SER N 27722 1 98 . 1 1 135 135 TYR N N 15 2.001060 0.029200 . . 247 TYR N 27722 1 99 . 1 1 136 136 THR N N 15 2.009480 0.032060 . . 248 THR N 27722 1 100 . 1 1 137 137 MET N N 15 1.872190 0.025340 . . 249 MET N 27722 1 101 . 1 1 138 138 ILE N N 15 1.939220 0.026800 . . 250 ILE N 27722 1 stop_ save_ save_backbone_15N_T1_600 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode backbone_15N_T1_600 _Heteronucl_T1_list.Entry_ID 27722 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 599882216 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 '15N T1' . . . 27722 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $Analysis . . 27722 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ILE N N 15 1.314300 0.008950 . . 115 ILE N 27722 2 2 . 1 1 4 4 VAL N N 15 1.429000 0.029860 . . 116 VAL N 27722 2 3 . 1 1 6 6 TYR N N 15 1.644050 0.026320 . . 118 TYR N 27722 2 4 . 1 1 7 7 ASN N N 15 1.621460 0.060820 . . 119 ASN N 27722 2 5 . 1 1 8 8 LEU N N 15 1.518510 0.027160 . . 120 LEU N 27722 2 6 . 1 1 10 10 LEU N N 15 1.459790 0.029680 . . 122 LEU N 27722 2 7 . 1 1 13 13 GLY N N 15 1.610510 0.021660 . . 125 GLY N 27722 2 8 . 1 1 14 14 VAL N N 15 1.436520 0.015920 . . 126 VAL N 27722 2 9 . 1 1 15 15 VAL N N 15 1.571730 0.039350 . . 127 VAL N 27722 2 10 . 1 1 17 17 ARG N N 15 1.560370 0.018910 . . 129 ARG N 27722 2 11 . 1 1 18 18 MET N N 15 1.594250 0.033200 . . 130 MET N 27722 2 12 . 1 1 19 19 LEU N N 15 1.677190 0.014580 . . 131 LEU N 27722 2 13 . 1 1 20 20 ILE N N 15 1.566210 0.022170 . . 132 ILE N 27722 2 14 . 1 1 22 22 ILE N N 15 1.566730 0.017520 . . 134 ILE N 27722 2 15 . 1 1 23 23 LEU N N 15 1.626220 0.025970 . . 135 LEU N 27722 2 16 . 1 1 24 24 GLY N N 15 1.607240 0.015740 . . 136 GLY N 27722 2 17 . 1 1 25 25 THR N N 15 1.594430 0.023720 . . 137 THR N 27722 2 18 . 1 1 27 27 LYS N N 15 1.607490 0.020210 . . 139 LYS N 27722 2 19 . 1 1 30 30 ALA N N 15 1.495420 0.024360 . . 142 ALA N 27722 2 20 . 1 1 31 31 ASN N N 15 1.519130 0.024590 . . 143 ASN N 27722 2 21 . 1 1 33 33 ILE N N 15 1.563720 0.017760 . . 145 ILE N 27722 2 22 . 1 1 34 34 ALA N N 15 1.649480 0.026210 . . 146 ALA N 27722 2 23 . 1 1 35 35 LEU N N 15 1.520500 0.028980 . . 147 LEU N 27722 2 24 . 1 1 36 36 ASP N N 15 1.484070 0.019350 . . 148 ASP N 27722 2 25 . 1 1 38 38 GLN N N 15 1.566030 0.018020 . . 150 GLN N 27722 2 26 . 1 1 39 39 ARG N N 15 1.515420 0.018620 . . 151 ARG N 27722 2 27 . 1 1 42 42 ASP N N 15 1.586340 0.037100 . . 154 ASP N 27722 2 28 . 1 1 43 43 VAL N N 15 1.557170 0.023010 . . 155 VAL N 27722 2 29 . 1 1 45 45 PHE N N 15 1.680050 0.040930 . . 157 PHE N 27722 2 30 . 1 1 46 46 HIS N N 15 1.579800 0.031300 . . 158 HIS N 27722 2 31 . 1 1 47 47 PHE N N 15 1.608420 0.020300 . . 159 PHE N 27722 2 32 . 1 1 51 51 PHE N N 15 1.602010 0.026000 . . 163 PHE N 27722 2 33 . 1 1 55 55 ASN N N 15 1.627230 0.022210 . . 167 ASN N 27722 2 34 . 1 1 56 56 ARG N N 15 1.566810 0.043660 . . 168 ARG N 27722 2 35 . 1 1 57 57 ARG N N 15 1.469710 0.038710 . . 169 ARG N 27722 2 36 . 1 1 58 58 VAL N N 15 1.629980 0.019080 . . 170 VAL N 27722 2 37 . 1 1 59 59 ILE N N 15 1.694990 0.030770 . . 171 ILE N 27722 2 38 . 1 1 60 60 VAL N N 15 1.589410 0.019360 . . 172 VAL N 27722 2 39 . 1 1 61 61 CYS N N 15 1.602760 0.026800 . . 173 CYS N 27722 2 40 . 1 1 62 62 ASN N N 15 1.582820 0.022840 . . 174 ASN N 27722 2 41 . 1 1 63 63 THR N N 15 1.480820 0.018320 . . 175 THR N 27722 2 42 . 1 1 64 64 LYS N N 15 1.612600 0.017240 . . 176 LYS N 27722 2 43 . 1 1 65 65 LEU N N 15 1.523370 0.019000 . . 177 LEU N 27722 2 44 . 1 1 66 66 ASP N N 15 1.596260 0.018720 . . 178 ASP N 27722 2 45 . 1 1 67 67 ASN N N 15 1.554810 0.037300 . . 179 ASN N 27722 2 46 . 1 1 68 68 ASN N N 15 1.442210 0.012330 . . 180 ASN N 27722 2 47 . 1 1 69 69 TRP N N 15 1.658110 0.051760 . . 181 TRP N 27722 2 48 . 1 1 70 70 GLY N N 15 1.540560 0.018730 . . 182 GLY N 27722 2 49 . 1 1 71 71 ARG N N 15 1.718800 0.060610 . . 183 ARG N 27722 2 50 . 1 1 73 73 GLU N N 15 1.589390 0.028820 . . 185 GLU N 27722 2 51 . 1 1 75 75 GLN N N 15 1.628090 0.020320 . . 187 GLN N 27722 2 52 . 1 1 77 77 VAL N N 15 1.523570 0.019790 . . 189 VAL N 27722 2 53 . 1 1 78 78 PHE N N 15 1.696270 0.024670 . . 190 PHE N 27722 2 54 . 1 1 80 80 PHE N N 15 1.255360 0.010850 . . 192 PHE N 27722 2 55 . 1 1 82 82 SER N N 15 1.537910 0.041020 . . 194 SER N 27722 2 56 . 1 1 83 83 GLY N N 15 1.525950 0.029400 . . 195 GLY N 27722 2 57 . 1 1 84 84 LYS N N 15 1.504010 0.013140 . . 196 LYS N 27722 2 58 . 1 1 86 86 PHE N N 15 1.595520 0.015240 . . 198 PHE N 27722 2 59 . 1 1 87 87 LYS N N 15 1.576160 0.017440 . . 199 LYS N 27722 2 60 . 1 1 88 88 ILE N N 15 1.538060 0.011490 . . 200 ILE N 27722 2 61 . 1 1 90 90 VAL N N 15 1.484900 0.016030 . . 202 VAL N 27722 2 62 . 1 1 91 91 LEU N N 15 1.556050 0.010660 . . 203 LEU N 27722 2 63 . 1 1 92 92 VAL N N 15 1.657970 0.046650 . . 204 VAL N 27722 2 64 . 1 1 95 95 ASP N N 15 1.733750 0.058470 . . 207 ASP N 27722 2 65 . 1 1 96 96 HIS N N 15 1.649260 0.032060 . . 208 HIS N 27722 2 66 . 1 1 97 97 PHE N N 15 1.535250 0.031870 . . 209 PHE N 27722 2 67 . 1 1 98 98 LYS N N 15 1.514320 0.031270 . . 210 LYS N 27722 2 68 . 1 1 100 100 ALA N N 15 1.621040 0.017650 . . 212 ALA N 27722 2 69 . 1 1 101 101 VAL N N 15 1.556310 0.021720 . . 213 VAL N 27722 2 70 . 1 1 102 102 ASN N N 15 1.661910 0.028140 . . 214 ASN N 27722 2 71 . 1 1 103 103 ASP N N 15 1.653110 0.028540 . . 215 ASP N 27722 2 72 . 1 1 104 104 ALA N N 15 1.520670 0.010900 . . 216 ALA N 27722 2 73 . 1 1 107 107 LEU N N 15 1.648430 0.035480 . . 219 LEU N 27722 2 74 . 1 1 108 108 GLN N N 15 1.596130 0.027400 . . 220 GLN N 27722 2 75 . 1 1 110 110 ASN N N 15 1.564380 0.020470 . . 222 ASN N 27722 2 76 . 1 1 111 111 HIS N N 15 1.571800 0.028570 . . 223 HIS N 27722 2 77 . 1 1 112 112 ARG N N 15 1.495500 0.034890 . . 224 ARG N 27722 2 78 . 1 1 113 113 VAL N N 15 1.320350 0.016580 . . 225 VAL N 27722 2 79 . 1 1 115 115 LYS N N 15 1.500840 0.091840 . . 227 LYS N 27722 2 80 . 1 1 116 116 LEU N N 15 1.567180 0.011770 . . 228 LEU N 27722 2 81 . 1 1 117 117 ASN N N 15 1.681770 0.033310 . . 229 ASN N 27722 2 82 . 1 1 118 118 GLU N N 15 1.618170 0.020710 . . 230 GLU N 27722 2 83 . 1 1 119 119 ILE N N 15 1.590340 0.035860 . . 231 ILE N 27722 2 84 . 1 1 120 120 SER N N 15 1.445730 0.018080 . . 232 SER N 27722 2 85 . 1 1 121 121 LYS N N 15 1.700100 0.020900 . . 233 LYS N 27722 2 86 . 1 1 122 122 LEU N N 15 1.573830 0.035020 . . 234 LEU N 27722 2 87 . 1 1 123 123 GLY N N 15 1.579600 0.026530 . . 235 GLY N 27722 2 88 . 1 1 124 124 ILE N N 15 1.616020 0.024050 . . 236 ILE N 27722 2 89 . 1 1 126 126 GLY N N 15 1.609570 0.025820 . . 238 GLY N 27722 2 90 . 1 1 127 127 ASP N N 15 1.580170 0.021800 . . 239 ASP N 27722 2 91 . 1 1 128 128 ILE N N 15 1.577950 0.023800 . . 240 ILE N 27722 2 92 . 1 1 129 129 ASP N N 15 1.584930 0.029070 . . 241 ASP N 27722 2 93 . 1 1 130 130 LEU N N 15 1.574790 0.012050 . . 242 LEU N 27722 2 94 . 1 1 131 131 THR N N 15 1.661660 0.028570 . . 243 THR N 27722 2 95 . 1 1 132 132 SER N N 15 1.527660 0.022030 . . 244 SER N 27722 2 96 . 1 1 133 133 ALA N N 15 1.616080 0.010490 . . 245 ALA N 27722 2 97 . 1 1 134 134 SER N N 15 1.576580 0.015450 . . 246 SER N 27722 2 98 . 1 1 135 135 TYR N N 15 1.619940 0.017340 . . 247 TYR N 27722 2 99 . 1 1 136 136 THR N N 15 1.581220 0.015870 . . 248 THR N 27722 2 100 . 1 1 137 137 MET N N 15 1.525960 0.025490 . . 249 MET N 27722 2 101 . 1 1 138 138 ILE N N 15 1.578650 0.030400 . . 250 ILE N 27722 2 stop_ save_ save_backbone_15N_T1_900 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode backbone_15N_T1_900 _Heteronucl_T1_list.Entry_ID 27722 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 899894229 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 '15N T1' . . . 27722 3 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $Analysis . . 27722 3 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ILE N N 15 0.858550 0.003670 . . 115 ILE N 27722 3 2 . 1 1 4 4 VAL N N 15 0.958740 0.005440 . . 116 VAL N 27722 3 3 . 1 1 6 6 TYR N N 15 1.030080 0.008290 . . 118 TYR N 27722 3 4 . 1 1 7 7 ASN N N 15 0.864430 0.039150 . . 119 ASN N 27722 3 5 . 1 1 8 8 LEU N N 15 0.955530 0.005910 . . 120 LEU N 27722 3 6 . 1 1 10 10 LEU N N 15 0.913770 0.011030 . . 122 LEU N 27722 3 7 . 1 1 13 13 GLY N N 15 0.966870 0.016690 . . 125 GLY N 27722 3 8 . 1 1 14 14 VAL N N 15 0.928650 0.011880 . . 126 VAL N 27722 3 9 . 1 1 15 15 VAL N N 15 0.953290 0.003100 . . 127 VAL N 27722 3 10 . 1 1 17 17 ARG N N 15 0.949310 0.005170 . . 129 ARG N 27722 3 11 . 1 1 18 18 MET N N 15 1.037750 0.006940 . . 130 MET N 27722 3 12 . 1 1 19 19 LEU N N 15 1.020360 0.010000 . . 131 LEU N 27722 3 13 . 1 1 20 20 ILE N N 15 1.005540 0.006140 . . 132 ILE N 27722 3 14 . 1 1 22 22 ILE N N 15 0.988210 0.006840 . . 134 ILE N 27722 3 15 . 1 1 23 23 LEU N N 15 0.974240 0.005730 . . 135 LEU N 27722 3 16 . 1 1 24 24 GLY N N 15 0.991640 0.006520 . . 136 GLY N 27722 3 17 . 1 1 25 25 THR N N 15 0.945560 0.007370 . . 137 THR N 27722 3 18 . 1 1 27 27 LYS N N 15 1.018060 0.008580 . . 139 LYS N 27722 3 19 . 1 1 30 30 ALA N N 15 0.926390 0.010200 . . 142 ALA N 27722 3 20 . 1 1 31 31 ASN N N 15 0.915260 0.011270 . . 143 ASN N 27722 3 21 . 1 1 33 33 ILE N N 15 0.929810 0.012410 . . 145 ILE N 27722 3 22 . 1 1 34 34 ALA N N 15 0.983190 0.006680 . . 146 ALA N 27722 3 23 . 1 1 35 35 LEU N N 15 0.942220 0.008970 . . 147 LEU N 27722 3 24 . 1 1 36 36 ASP N N 15 0.900620 0.008190 . . 148 ASP N 27722 3 25 . 1 1 38 38 GLN N N 15 0.946940 0.011430 . . 150 GLN N 27722 3 26 . 1 1 39 39 ARG N N 15 0.886770 0.012380 . . 151 ARG N 27722 3 27 . 1 1 42 42 ASP N N 15 0.874580 0.018320 . . 154 ASP N 27722 3 28 . 1 1 43 43 VAL N N 15 0.895760 0.013180 . . 155 VAL N 27722 3 29 . 1 1 45 45 PHE N N 15 1.019410 0.012420 . . 157 PHE N 27722 3 30 . 1 1 46 46 HIS N N 15 0.973580 0.014330 . . 158 HIS N 27722 3 31 . 1 1 47 47 PHE N N 15 0.965120 0.011660 . . 159 PHE N 27722 3 32 . 1 1 51 51 PHE N N 15 0.913360 0.016590 . . 163 PHE N 27722 3 33 . 1 1 55 55 ASN N N 15 0.930010 0.024370 . . 167 ASN N 27722 3 34 . 1 1 56 56 ARG N N 15 0.942330 0.016850 . . 168 ARG N 27722 3 35 . 1 1 57 57 ARG N N 15 0.902060 0.007850 . . 169 ARG N 27722 3 36 . 1 1 58 58 VAL N N 15 1.002000 0.015740 . . 170 VAL N 27722 3 37 . 1 1 59 59 ILE N N 15 0.994580 0.011830 . . 171 ILE N 27722 3 38 . 1 1 60 60 VAL N N 15 0.943940 0.009480 . . 172 VAL N 27722 3 39 . 1 1 61 61 CYS N N 15 0.915110 0.012390 . . 173 CYS N 27722 3 40 . 1 1 62 62 ASN N N 15 0.928150 0.014680 . . 174 ASN N 27722 3 41 . 1 1 63 63 THR N N 15 0.806270 0.017810 . . 175 THR N 27722 3 42 . 1 1 64 64 LYS N N 15 0.935670 0.010250 . . 176 LYS N 27722 3 43 . 1 1 65 65 LEU N N 15 0.888210 0.012370 . . 177 LEU N 27722 3 44 . 1 1 66 66 ASP N N 15 0.942850 0.013420 . . 178 ASP N 27722 3 45 . 1 1 67 67 ASN N N 15 0.920490 0.016710 . . 179 ASN N 27722 3 46 . 1 1 68 68 ASN N N 15 0.845960 0.013700 . . 180 ASN N 27722 3 47 . 1 1 69 69 TRP N N 15 0.850780 0.042190 . . 181 TRP N 27722 3 48 . 1 1 70 70 GLY N N 15 0.855870 0.016410 . . 182 GLY N 27722 3 49 . 1 1 71 71 ARG N N 15 0.918380 0.047850 . . 183 ARG N 27722 3 50 . 1 1 73 73 GLU N N 15 0.872860 0.016110 . . 185 GLU N 27722 3 51 . 1 1 75 75 GLN N N 15 0.917000 0.013640 . . 187 GLN N 27722 3 52 . 1 1 77 77 VAL N N 15 0.935180 0.014920 . . 189 VAL N 27722 3 53 . 1 1 78 78 PHE N N 15 0.856710 0.037980 . . 190 PHE N 27722 3 54 . 1 1 80 80 PHE N N 15 0.818080 0.008850 . . 192 PHE N 27722 3 55 . 1 1 82 82 SER N N 15 0.829450 0.040190 . . 194 SER N 27722 3 56 . 1 1 83 83 GLY N N 15 0.940860 0.006930 . . 195 GLY N 27722 3 57 . 1 1 84 84 LYS N N 15 1.001880 0.006750 . . 196 LYS N 27722 3 58 . 1 1 86 86 PHE N N 15 1.025980 0.008010 . . 198 PHE N 27722 3 59 . 1 1 87 87 LYS N N 15 0.967580 0.009400 . . 199 LYS N 27722 3 60 . 1 1 88 88 ILE N N 15 0.958030 0.005100 . . 200 ILE N 27722 3 61 . 1 1 90 90 VAL N N 15 0.911080 0.005570 . . 202 VAL N 27722 3 62 . 1 1 91 91 LEU N N 15 1.010410 0.007500 . . 203 LEU N 27722 3 63 . 1 1 92 92 VAL N N 15 0.998770 0.003850 . . 204 VAL N 27722 3 64 . 1 1 95 95 ASP N N 15 0.949820 0.047720 . . 207 ASP N 27722 3 65 . 1 1 96 96 HIS N N 15 0.953950 0.013290 . . 208 HIS N 27722 3 66 . 1 1 97 97 PHE N N 15 0.913110 0.012840 . . 209 PHE N 27722 3 67 . 1 1 98 98 LYS N N 15 0.930720 0.008710 . . 210 LYS N 27722 3 68 . 1 1 100 100 ALA N N 15 1.009230 0.006200 . . 212 ALA N 27722 3 69 . 1 1 101 101 VAL N N 15 0.921890 0.008460 . . 213 VAL N 27722 3 70 . 1 1 102 102 ASN N N 15 1.030130 0.010080 . . 214 ASN N 27722 3 71 . 1 1 103 103 ASP N N 15 0.994160 0.019350 . . 215 ASP N 27722 3 72 . 1 1 104 104 ALA N N 15 0.963910 0.010200 . . 216 ALA N 27722 3 73 . 1 1 107 107 LEU N N 15 1.002540 0.008060 . . 219 LEU N 27722 3 74 . 1 1 108 108 GLN N N 15 0.974270 0.011130 . . 220 GLN N 27722 3 75 . 1 1 110 110 ASN N N 15 0.896690 0.017630 . . 222 ASN N 27722 3 76 . 1 1 111 111 HIS N N 15 0.895150 0.014700 . . 223 HIS N 27722 3 77 . 1 1 112 112 ARG N N 15 0.808070 0.019580 . . 224 ARG N 27722 3 78 . 1 1 113 113 VAL N N 15 0.724190 0.019520 . . 225 VAL N 27722 3 79 . 1 1 115 115 LYS N N 15 0.758390 0.044810 . . 227 LYS N 27722 3 80 . 1 1 116 116 LEU N N 15 0.959070 0.014640 . . 228 LEU N 27722 3 81 . 1 1 117 117 ASN N N 15 1.042960 0.025500 . . 229 ASN N 27722 3 82 . 1 1 118 118 GLU N N 15 0.981270 0.012830 . . 230 GLU N 27722 3 83 . 1 1 119 119 ILE N N 15 0.955420 0.011310 . . 231 ILE N 27722 3 84 . 1 1 120 120 SER N N 15 0.863170 0.011260 . . 232 SER N 27722 3 85 . 1 1 121 121 LYS N N 15 1.075100 0.010080 . . 233 LYS N 27722 3 86 . 1 1 122 122 LEU N N 15 0.973320 0.005430 . . 234 LEU N 27722 3 87 . 1 1 123 123 GLY N N 15 0.981170 0.008830 . . 235 GLY N 27722 3 88 . 1 1 124 124 ILE N N 15 0.957760 0.006560 . . 236 ILE N 27722 3 89 . 1 1 126 126 GLY N N 15 1.000910 0.010680 . . 238 GLY N 27722 3 90 . 1 1 127 127 ASP N N 15 0.924640 0.010020 . . 239 ASP N 27722 3 91 . 1 1 128 128 ILE N N 15 1.005730 0.005440 . . 240 ILE N 27722 3 92 . 1 1 129 129 ASP N N 15 0.968820 0.004740 . . 241 ASP N 27722 3 93 . 1 1 130 130 LEU N N 15 0.948820 0.009270 . . 242 LEU N 27722 3 94 . 1 1 131 131 THR N N 15 1.014770 0.006540 . . 243 THR N 27722 3 95 . 1 1 132 132 SER N N 15 0.978680 0.006610 . . 244 SER N 27722 3 96 . 1 1 133 133 ALA N N 15 0.985060 0.012120 . . 245 ALA N 27722 3 97 . 1 1 134 134 SER N N 15 0.944480 0.008220 . . 246 SER N 27722 3 98 . 1 1 135 135 TYR N N 15 0.988020 0.010490 . . 247 TYR N 27722 3 99 . 1 1 136 136 THR N N 15 0.962170 0.010120 . . 248 THR N 27722 3 100 . 1 1 137 137 MET N N 15 0.862390 0.027350 . . 249 MET N 27722 3 101 . 1 1 138 138 ILE N N 15 0.962950 0.008190 . . 250 ILE N 27722 3 stop_ save_ save_Arg_Ne_T1_500 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode Arg_Ne_T1_500 _Heteronucl_T1_list.Entry_ID 27722 _Heteronucl_T1_list.ID 4 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 499260345 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 '15N T1' . . . 27722 4 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $Analysis . . 27722 4 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 17 17 ARG NE N 15 1.36364 0.04869 . . 129 ARG NE 27722 4 2 . 1 1 50 50 ARG NE N 15 1.83445 0.03402 . . 162 ARG NE 27722 4 3 . 1 1 56 56 ARG NE N 15 1.71947 0.08705 . . 168 ARG NE 27722 4 4 . 1 1 74 74 ARG NE N 15 1.8116 0.04201 . . 186 ARG NE 27722 4 5 . 1 1 112 112 ARG NE N 15 1.89151 0.04653 . . 224 ARG NE 27722 4 stop_ save_ save_Arg_Ne_T1_600 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode Arg_Ne_T1_600 _Heteronucl_T1_list.Entry_ID 27722 _Heteronucl_T1_list.ID 5 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 599882216 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 '15N T1' . . . 27722 5 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $Analysis . . 27722 5 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 17 17 ARG NE N 15 1.04439 0.03993 . . 129 ARG NE 27722 5 2 . 1 1 50 50 ARG NE N 15 1.37938 0.02506 . . 162 ARG NE 27722 5 3 . 1 1 56 56 ARG NE N 15 1.32811 0.04515 . . 168 ARG NE 27722 5 4 . 1 1 74 74 ARG NE N 15 1.3904 0.03215 . . 186 ARG NE 27722 5 5 . 1 1 112 112 ARG NE N 15 1.48314 0.03831 . . 224 ARG NE 27722 5 stop_ save_ save_Methyl_T1_500 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode Methyl_T1_500 _Heteronucl_T1_list.Entry_ID 27722 _Heteronucl_T1_list.ID 6 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 499260345 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 9 R1(Dz) . . . 27722 6 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 5 $PINT . . 27722 6 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 LEU CD1 C 13 22.138 1.131 . . 114 LEU CD1 27722 6 2 . 1 1 2 2 LEU CD2 C 13 16.694 0.641 . . 114 LEU CD2 27722 6 3 . 1 1 3 3 ILE CD1 C 13 13.105 0.286 . . 115 ILE CD1 27722 6 4 . 1 1 3 3 ILE CG2 C 13 26.504 0.639 . . 115 ILE CG2 27722 6 5 . 1 1 4 4 VAL CG2 C 13 43.499 2.808 . . 116 VAL CG2 27722 6 6 . 1 1 8 8 LEU CD1 C 13 24.041 5.398 . . 120 LEU CD1 27722 6 7 . 1 1 8 8 LEU CD2 C 13 16.463 1.723 . . 120 LEU CD2 27722 6 8 . 1 1 10 10 LEU CD1 C 13 15.663 2.477 . . 122 LEU CD1 27722 6 9 . 1 1 14 14 VAL CG1 C 13 38.569 4.549 . . 126 VAL CG1 27722 6 10 . 1 1 14 14 VAL CG2 C 13 28.181 2.293 . . 126 VAL CG2 27722 6 11 . 1 1 15 15 VAL CG2 C 13 36.841 1.105 . . 127 VAL CG2 27722 6 12 . 1 1 18 18 MET CE C 13 6.366 0.150 . . 130 MET CE 27722 6 13 . 1 1 19 19 LEU CD2 C 13 17.557 0.924 . . 131 LEU CD2 27722 6 14 . 1 1 20 20 ILE CD1 C 13 7.988 0.443 . . 132 ILE CD1 27722 6 15 . 1 1 20 20 ILE CG2 C 13 18.489 1.367 . . 132 ILE CG2 27722 6 16 . 1 1 21 21 THR CG2 C 13 24.505 1.762 . . 133 THR CG2 27722 6 17 . 1 1 22 22 ILE CG2 C 13 19.015 1.078 . . 134 ILE CG2 27722 6 18 . 1 1 23 23 LEU CD2 C 13 18.982 0.739 . . 135 LEU CD2 27722 6 19 . 1 1 25 25 THR CG2 C 13 35.604 1.624 . . 137 THR CG2 27722 6 20 . 1 1 26 26 VAL CG2 C 13 19.355 1.972 . . 138 VAL CG2 27722 6 21 . 1 1 30 30 ALA CB C 13 33.473 3.314 . . 142 ALA CB 27722 6 22 . 1 1 33 33 ILE CD1 C 13 15.192 1.403 . . 145 ILE CD1 27722 6 23 . 1 1 33 33 ILE CG2 C 13 21.269 1.294 . . 145 ILE CG2 27722 6 24 . 1 1 34 34 ALA CB C 13 31.257 3.376 . . 146 ALA CB 27722 6 25 . 1 1 35 35 LEU CD1 C 13 31.313 1.522 . . 147 LEU CD1 27722 6 26 . 1 1 35 35 LEU CD2 C 13 28.566 2.070 . . 147 LEU CD2 27722 6 27 . 1 1 43 43 VAL CG1 C 13 21.542 1.320 . . 155 VAL CG1 27722 6 28 . 1 1 43 43 VAL CG2 C 13 35.889 4.533 . . 155 VAL CG2 27722 6 29 . 1 1 44 44 ALA CB C 13 43.586 7.017 . . 156 ALA CB 27722 6 30 . 1 1 58 58 VAL CG1 C 13 36.991 2.573 . . 170 VAL CG1 27722 6 31 . 1 1 58 58 VAL CG2 C 13 40.639 3.158 . . 170 VAL CG2 27722 6 32 . 1 1 59 59 ILE CG2 C 13 19.061 1.064 . . 171 ILE CG2 27722 6 33 . 1 1 60 60 VAL CG1 C 13 14.001 1.545 . . 172 VAL CG1 27722 6 34 . 1 1 60 60 VAL CG2 C 13 40.257 4.858 . . 172 VAL CG2 27722 6 35 . 1 1 63 63 THR CG2 C 13 21.544 1.615 . . 175 THR CG2 27722 6 36 . 1 1 77 77 VAL CG1 C 13 26.135 1.269 . . 189 VAL CG1 27722 6 37 . 1 1 77 77 VAL CG2 C 13 21.722 0.813 . . 189 VAL CG2 27722 6 38 . 1 1 88 88 ILE CG2 C 13 18.172 0.955 . . 200 ILE CG2 27722 6 39 . 1 1 91 91 LEU CD1 C 13 18.433 1.206 . . 203 LEU CD1 27722 6 40 . 1 1 91 91 LEU CD2 C 13 25.646 3.683 . . 203 LEU CD2 27722 6 41 . 1 1 92 92 VAL CG1 C 13 18.510 1.734 . . 204 VAL CG1 27722 6 42 . 1 1 92 92 VAL CG2 C 13 19.432 1.321 . . 204 VAL CG2 27722 6 43 . 1 1 99 99 VAL CG1 C 13 18.793 1.416 . . 211 VAL CG1 27722 6 44 . 1 1 99 99 VAL CG2 C 13 18.857 1.406 . . 211 VAL CG2 27722 6 45 . 1 1 100 100 ALA CB C 13 21.745 1.208 . . 212 ALA CB 27722 6 46 . 1 1 101 101 VAL CG1 C 13 31.050 2.990 . . 213 VAL CG1 27722 6 47 . 1 1 104 104 ALA CB C 13 21.943 0.851 . . 216 ALA CB 27722 6 48 . 1 1 106 106 LEU CD1 C 13 22.971 1.672 . . 218 LEU CD1 27722 6 49 . 1 1 113 113 VAL CG1 C 13 24.001 1.993 . . 225 VAL CG1 27722 6 50 . 1 1 113 113 VAL CG2 C 13 18.442 1.093 . . 225 VAL CG2 27722 6 51 . 1 1 116 116 LEU CD1 C 13 27.451 3.015 . . 228 LEU CD1 27722 6 52 . 1 1 116 116 LEU CD2 C 13 33.410 2.789 . . 228 LEU CD2 27722 6 53 . 1 1 119 119 ILE CD1 C 13 18.145 1.191 . . 231 ILE CD1 27722 6 54 . 1 1 119 119 ILE CG2 C 13 12.985 0.973 . . 231 ILE CG2 27722 6 55 . 1 1 122 122 LEU CD1 C 13 13.051 1.531 . . 234 LEU CD1 27722 6 56 . 1 1 124 124 ILE CD1 C 13 10.599 0.780 . . 236 ILE CD1 27722 6 57 . 1 1 124 124 ILE CG2 C 13 14.537 1.010 . . 236 ILE CG2 27722 6 58 . 1 1 130 130 LEU CD2 C 13 18.764 0.768 . . 242 LEU CD2 27722 6 59 . 1 1 133 133 ALA CB C 13 55.648 11.818 . . 245 ALA CB 27722 6 60 . 1 1 136 136 THR CG2 C 13 27.074 1.304 . . 248 THR CG2 27722 6 61 . 1 1 137 137 MET CE C 13 9.595 0.126 . . 249 MET CE 27722 6 62 . 1 1 138 138 ILE CD1 C 13 9.559 0.299 . . 250 ILE CD1 27722 6 63 . 1 1 138 138 ILE CG2 C 13 21.990 0.679 . . 250 ILE CG2 27722 6 stop_ save_ save_Methyl_T1_600 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode Methyl_T1_600 _Heteronucl_T1_list.Entry_ID 27722 _Heteronucl_T1_list.ID 7 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 599882216 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 9 R1(Dz) . . . 27722 7 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 5 $PINT . . 27722 7 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 LEU CD1 C 13 18.842 0.971 . . 114 LEU CD1 27722 7 2 . 1 1 2 2 LEU CD2 C 13 15.136 0.522 . . 114 LEU CD2 27722 7 3 . 1 1 3 3 ILE CD1 C 13 11.735 0.249 . . 115 ILE CD1 27722 7 4 . 1 1 3 3 ILE CG2 C 13 22.892 0.493 . . 115 ILE CG2 27722 7 5 . 1 1 4 4 VAL CG2 C 13 40.619 2.975 . . 116 VAL CG2 27722 7 6 . 1 1 8 8 LEU CD1 C 13 19.730 2.479 . . 120 LEU CD1 27722 7 7 . 1 1 8 8 LEU CD2 C 13 15.505 1.603 . . 120 LEU CD2 27722 7 8 . 1 1 10 10 LEU CD1 C 13 15.088 1.656 . . 122 LEU CD1 27722 7 9 . 1 1 14 14 VAL CG1 C 13 35.687 4.093 . . 126 VAL CG1 27722 7 10 . 1 1 14 14 VAL CG2 C 13 27.802 2.575 . . 126 VAL CG2 27722 7 11 . 1 1 15 15 VAL CG2 C 13 34.020 0.964 . . 127 VAL CG2 27722 7 12 . 1 1 18 18 MET CE C 13 5.020 0.135 . . 130 MET CE 27722 7 13 . 1 1 19 19 LEU CD1 C 13 24.853 4.108 . . 131 LEU CD1 27722 7 14 . 1 1 19 19 LEU CD2 C 13 14.835 0.862 . . 131 LEU CD2 27722 7 15 . 1 1 20 20 ILE CD1 C 13 6.708 0.361 . . 132 ILE CD1 27722 7 16 . 1 1 20 20 ILE CG2 C 13 14.498 1.093 . . 132 ILE CG2 27722 7 17 . 1 1 21 21 THR CG2 C 13 19.459 1.589 . . 133 THR CG2 27722 7 18 . 1 1 22 22 ILE CG2 C 13 15.291 0.961 . . 134 ILE CG2 27722 7 19 . 1 1 23 23 LEU CD2 C 13 17.636 0.525 . . 135 LEU CD2 27722 7 20 . 1 1 25 25 THR CG2 C 13 31.708 1.369 . . 137 THR CG2 27722 7 21 . 1 1 26 26 VAL CG2 C 13 16.175 1.479 . . 138 VAL CG2 27722 7 22 . 1 1 30 30 ALA CB C 13 33.566 3.388 . . 142 ALA CB 27722 7 23 . 1 1 33 33 ILE CD1 C 13 10.321 1.239 . . 145 ILE CD1 27722 7 24 . 1 1 33 33 ILE CG2 C 13 18.083 1.183 . . 145 ILE CG2 27722 7 25 . 1 1 34 34 ALA CB C 13 31.312 3.926 . . 146 ALA CB 27722 7 26 . 1 1 35 35 LEU CD1 C 13 28.499 1.182 . . 147 LEU CD1 27722 7 27 . 1 1 35 35 LEU CD2 C 13 27.403 1.522 . . 147 LEU CD2 27722 7 28 . 1 1 43 43 VAL CG1 C 13 18.961 1.167 . . 155 VAL CG1 27722 7 29 . 1 1 43 43 VAL CG2 C 13 47.603 5.775 . . 155 VAL CG2 27722 7 30 . 1 1 44 44 ALA CB C 13 44.115 8.658 . . 156 ALA CB 27722 7 31 . 1 1 58 58 VAL CG1 C 13 33.356 2.255 . . 170 VAL CG1 27722 7 32 . 1 1 58 58 VAL CG2 C 13 41.160 3.027 . . 170 VAL CG2 27722 7 33 . 1 1 59 59 ILE CG2 C 13 15.020 0.948 . . 171 ILE CG2 27722 7 34 . 1 1 60 60 VAL CG1 C 13 15.472 2.014 . . 172 VAL CG1 27722 7 35 . 1 1 60 60 VAL CG2 C 13 35.436 3.942 . . 172 VAL CG2 27722 7 36 . 1 1 63 63 THR CG2 C 13 21.122 2.655 . . 175 THR CG2 27722 7 37 . 1 1 77 77 VAL CG1 C 13 25.199 1.106 . . 189 VAL CG1 27722 7 38 . 1 1 77 77 VAL CG2 C 13 17.032 0.678 . . 189 VAL CG2 27722 7 39 . 1 1 88 88 ILE CG2 C 13 14.344 0.802 . . 200 ILE CG2 27722 7 40 . 1 1 91 91 LEU CD1 C 13 14.864 0.799 . . 203 LEU CD1 27722 7 41 . 1 1 91 91 LEU CD2 C 13 18.899 1.520 . . 203 LEU CD2 27722 7 42 . 1 1 92 92 VAL CG1 C 13 18.901 1.293 . . 204 VAL CG1 27722 7 43 . 1 1 92 92 VAL CG2 C 13 13.207 0.938 . . 204 VAL CG2 27722 7 44 . 1 1 99 99 VAL CG1 C 13 21.136 1.598 . . 211 VAL CG1 27722 7 45 . 1 1 99 99 VAL CG2 C 13 15.045 1.111 . . 211 VAL CG2 27722 7 46 . 1 1 100 100 ALA CB C 13 23.585 1.342 . . 212 ALA CB 27722 7 47 . 1 1 101 101 VAL CG1 C 13 32.779 3.074 . . 213 VAL CG1 27722 7 48 . 1 1 104 104 ALA CB C 13 18.147 0.800 . . 216 ALA CB 27722 7 49 . 1 1 106 106 LEU CD1 C 13 30.628 4.413 . . 218 LEU CD1 27722 7 50 . 1 1 113 113 VAL CG1 C 13 22.856 1.549 . . 225 VAL CG1 27722 7 51 . 1 1 113 113 VAL CG2 C 13 16.824 0.907 . . 225 VAL CG2 27722 7 52 . 1 1 116 116 LEU CD1 C 13 25.590 2.601 . . 228 LEU CD1 27722 7 53 . 1 1 116 116 LEU CD2 C 13 28.311 2.160 . . 228 LEU CD2 27722 7 54 . 1 1 119 119 ILE CD1 C 13 13.934 1.011 . . 231 ILE CD1 27722 7 55 . 1 1 119 119 ILE CG2 C 13 13.187 1.203 . . 231 ILE CG2 27722 7 56 . 1 1 122 122 LEU CD1 C 13 12.906 1.917 . . 234 LEU CD1 27722 7 57 . 1 1 122 122 LEU CD2 C 13 21.590 3.848 . . 234 LEU CD2 27722 7 58 . 1 1 124 124 ILE CD1 C 13 9.263 0.631 . . 236 ILE CD1 27722 7 59 . 1 1 124 124 ILE CG2 C 13 12.820 0.931 . . 236 ILE CG2 27722 7 60 . 1 1 130 130 LEU CD2 C 13 16.329 0.724 . . 242 LEU CD2 27722 7 61 . 1 1 133 133 ALA CB C 13 37.039 3.149 . . 245 ALA CB 27722 7 62 . 1 1 136 136 THR CG2 C 13 24.745 1.120 . . 248 THR CG2 27722 7 63 . 1 1 137 137 MET CE C 13 7.786 0.149 . . 249 MET CE 27722 7 64 . 1 1 138 138 ILE CD1 C 13 8.371 0.272 . . 250 ILE CD1 27722 7 65 . 1 1 138 138 ILE CG2 C 13 19.593 0.609 . . 250 ILE CG2 27722 7 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_backbone_15N_T2_500 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode backbone_15N_T2_500 _Heteronucl_T2_list.Entry_ID 27722 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method Thermocouple _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 499260345 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 '15N T2' . . . 27722 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $Analysis . . 27722 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ILE N N 15 7.777690 0.155600 . . . . 115 ILE N 27722 1 2 . 1 1 4 4 VAL N N 15 7.968090 0.132000 . . . . 116 VAL N 27722 1 3 . 1 1 6 6 TYR N N 15 9.288690 0.097600 . . . . 118 TYR N 27722 1 4 . 1 1 7 7 ASN N N 15 9.897040 0.230490 . . . . 119 ASN N 27722 1 5 . 1 1 8 8 LEU N N 15 8.743680 0.145040 . . . . 120 LEU N 27722 1 6 . 1 1 10 10 LEU N N 15 8.968560 0.225060 . . . . 122 LEU N 27722 1 7 . 1 1 13 13 GLY N N 15 9.523280 0.225980 . . . . 125 GLY N 27722 1 8 . 1 1 14 14 VAL N N 15 8.495300 0.133760 . . . . 126 VAL N 27722 1 9 . 1 1 15 15 VAL N N 15 9.511850 0.283670 . . . . 127 VAL N 27722 1 10 . 1 1 17 17 ARG N N 15 9.450060 0.193750 . . . . 129 ARG N 27722 1 11 . 1 1 18 18 MET N N 15 9.117470 0.097030 . . . . 130 MET N 27722 1 12 . 1 1 19 19 LEU N N 15 9.921380 0.117820 . . . . 131 LEU N 27722 1 13 . 1 1 20 20 ILE N N 15 9.411590 0.204830 . . . . 132 ILE N 27722 1 14 . 1 1 22 22 ILE N N 15 9.268050 0.161740 . . . . 134 ILE N 27722 1 15 . 1 1 23 23 LEU N N 15 9.094140 0.166970 . . . . 135 LEU N 27722 1 16 . 1 1 24 24 GLY N N 15 9.095050 0.184310 . . . . 136 GLY N 27722 1 17 . 1 1 25 25 THR N N 15 9.046380 0.104340 . . . . 137 THR N 27722 1 18 . 1 1 27 27 LYS N N 15 10.018080 0.142620 . . . . 139 LYS N 27722 1 19 . 1 1 30 30 ALA N N 15 8.513800 0.129340 . . . . 142 ALA N 27722 1 20 . 1 1 31 31 ASN N N 15 9.179720 0.175710 . . . . 143 ASN N 27722 1 21 . 1 1 33 33 ILE N N 15 9.176310 0.111720 . . . . 145 ILE N 27722 1 22 . 1 1 34 34 ALA N N 15 9.473230 0.127450 . . . . 146 ALA N 27722 1 23 . 1 1 35 35 LEU N N 15 9.601100 0.286700 . . . . 147 LEU N 27722 1 24 . 1 1 36 36 ASP N N 15 9.094910 0.142480 . . . . 148 ASP N 27722 1 25 . 1 1 38 38 GLN N N 15 9.071420 0.101760 . . . . 150 GLN N 27722 1 26 . 1 1 39 39 ARG N N 15 9.807170 0.206660 . . . . 151 ARG N 27722 1 27 . 1 1 42 42 ASP N N 15 10.076180 0.177390 . . . . 154 ASP N 27722 1 28 . 1 1 43 43 VAL N N 15 9.775900 0.087540 . . . . 155 VAL N 27722 1 29 . 1 1 45 45 PHE N N 15 9.672850 0.252580 . . . . 157 PHE N 27722 1 30 . 1 1 46 46 HIS N N 15 9.757220 0.214050 . . . . 158 HIS N 27722 1 31 . 1 1 47 47 PHE N N 15 8.599510 0.155200 . . . . 159 PHE N 27722 1 32 . 1 1 51 51 PHE N N 15 9.663290 0.225300 . . . . 163 PHE N 27722 1 33 . 1 1 55 55 ASN N N 15 9.653490 0.175310 . . . . 167 ASN N 27722 1 34 . 1 1 56 56 ARG N N 15 8.576030 0.158020 . . . . 168 ARG N 27722 1 35 . 1 1 57 57 ARG N N 15 8.480310 0.158320 . . . . 169 ARG N 27722 1 36 . 1 1 58 58 VAL N N 15 9.106450 0.124340 . . . . 170 VAL N 27722 1 37 . 1 1 59 59 ILE N N 15 9.489300 0.145520 . . . . 171 ILE N 27722 1 38 . 1 1 60 60 VAL N N 15 9.528370 0.195910 . . . . 172 VAL N 27722 1 39 . 1 1 61 61 CYS N N 15 9.998420 0.223560 . . . . 173 CYS N 27722 1 40 . 1 1 62 62 ASN N N 15 9.824950 0.222100 . . . . 174 ASN N 27722 1 41 . 1 1 63 63 THR N N 15 9.473990 0.164540 . . . . 175 THR N 27722 1 42 . 1 1 64 64 LYS N N 15 9.621710 0.124560 . . . . 176 LYS N 27722 1 43 . 1 1 65 65 LEU N N 15 9.681590 0.108700 . . . . 177 LEU N 27722 1 44 . 1 1 66 66 ASP N N 15 9.359520 0.133970 . . . . 178 ASP N 27722 1 45 . 1 1 67 67 ASN N N 15 10.222510 0.139570 . . . . 179 ASN N 27722 1 46 . 1 1 68 68 ASN N N 15 9.314350 0.107800 . . . . 180 ASN N 27722 1 47 . 1 1 69 69 TRP N N 15 10.864370 0.383820 . . . . 181 TRP N 27722 1 48 . 1 1 70 70 GLY N N 15 9.361000 0.227930 . . . . 182 GLY N 27722 1 49 . 1 1 71 71 ARG N N 15 12.097920 0.310720 . . . . 183 ARG N 27722 1 50 . 1 1 73 73 GLU N N 15 9.318270 0.268910 . . . . 185 GLU N 27722 1 51 . 1 1 75 75 GLN N N 15 9.332320 0.202030 . . . . 187 GLN N 27722 1 52 . 1 1 77 77 VAL N N 15 11.251590 0.227020 . . . . 189 VAL N 27722 1 53 . 1 1 78 78 PHE N N 15 10.899950 0.213270 . . . . 190 PHE N 27722 1 54 . 1 1 80 80 PHE N N 15 7.089190 0.111300 . . . . 192 PHE N 27722 1 55 . 1 1 82 82 SER N N 15 10.065750 0.505680 . . . . 194 SER N 27722 1 56 . 1 1 83 83 GLY N N 15 9.514860 0.337910 . . . . 195 GLY N 27722 1 57 . 1 1 84 84 LYS N N 15 8.958100 0.195570 . . . . 196 LYS N 27722 1 58 . 1 1 86 86 PHE N N 15 8.938270 0.137540 . . . . 198 PHE N 27722 1 59 . 1 1 87 87 LYS N N 15 9.113130 0.170910 . . . . 199 LYS N 27722 1 60 . 1 1 88 88 ILE N N 15 8.927960 0.222490 . . . . 200 ILE N 27722 1 61 . 1 1 90 90 VAL N N 15 9.486920 0.140860 . . . . 202 VAL N 27722 1 62 . 1 1 91 91 LEU N N 15 9.432700 0.177330 . . . . 203 LEU N 27722 1 63 . 1 1 92 92 VAL N N 15 9.808250 0.247990 . . . . 204 VAL N 27722 1 64 . 1 1 95 95 ASP N N 15 13.087840 0.373330 . . . . 207 ASP N 27722 1 65 . 1 1 96 96 HIS N N 15 11.292230 0.276000 . . . . 208 HIS N 27722 1 66 . 1 1 97 97 PHE N N 15 9.801760 0.226140 . . . . 209 PHE N 27722 1 67 . 1 1 98 98 LYS N N 15 13.082280 0.265180 . . . . 210 LYS N 27722 1 68 . 1 1 100 100 ALA N N 15 9.409180 0.126060 . . . . 212 ALA N 27722 1 69 . 1 1 101 101 VAL N N 15 9.356020 0.239700 . . . . 213 VAL N 27722 1 70 . 1 1 102 102 ASN N N 15 9.033960 0.266590 . . . . 214 ASN N 27722 1 71 . 1 1 103 103 ASP N N 15 9.647850 0.159200 . . . . 215 ASP N 27722 1 72 . 1 1 104 104 ALA N N 15 9.026220 0.189090 . . . . 216 ALA N 27722 1 73 . 1 1 107 107 LEU N N 15 13.595290 0.424070 . . . . 219 LEU N 27722 1 74 . 1 1 108 108 GLN N N 15 9.834400 0.161860 . . . . 220 GLN N 27722 1 75 . 1 1 110 110 ASN N N 15 10.165740 0.101410 . . . . 222 ASN N 27722 1 76 . 1 1 111 111 HIS N N 15 10.272500 0.280190 . . . . 223 HIS N 27722 1 77 . 1 1 112 112 ARG N N 15 10.495870 0.351130 . . . . 224 ARG N 27722 1 78 . 1 1 113 113 VAL N N 15 9.451080 0.355050 . . . . 225 VAL N 27722 1 79 . 1 1 115 115 LYS N N 15 11.406840 0.799800 . . . . 227 LYS N 27722 1 80 . 1 1 116 116 LEU N N 15 9.096630 0.156480 . . . . 228 LEU N 27722 1 81 . 1 1 117 117 ASN N N 15 10.163020 0.209250 . . . . 229 ASN N 27722 1 82 . 1 1 118 118 GLU N N 15 9.315770 0.180800 . . . . 230 GLU N 27722 1 83 . 1 1 119 119 ILE N N 15 9.713240 0.146170 . . . . 231 ILE N 27722 1 84 . 1 1 120 120 SER N N 15 8.277050 0.120180 . . . . 232 SER N 27722 1 85 . 1 1 121 121 LYS N N 15 9.529110 0.159960 . . . . 233 LYS N 27722 1 86 . 1 1 122 122 LEU N N 15 9.362840 0.162750 . . . . 234 LEU N 27722 1 87 . 1 1 123 123 GLY N N 15 8.981250 0.130690 . . . . 235 GLY N 27722 1 88 . 1 1 124 124 ILE N N 15 8.940870 0.126150 . . . . 236 ILE N 27722 1 89 . 1 1 126 126 GLY N N 15 9.205940 0.220410 . . . . 238 GLY N 27722 1 90 . 1 1 127 127 ASP N N 15 8.846260 0.152740 . . . . 239 ASP N 27722 1 91 . 1 1 128 128 ILE N N 15 9.233610 0.261570 . . . . 240 ILE N 27722 1 92 . 1 1 129 129 ASP N N 15 8.706950 0.199890 . . . . 241 ASP N 27722 1 93 . 1 1 130 130 LEU N N 15 8.454440 0.185710 . . . . 242 LEU N 27722 1 94 . 1 1 131 131 THR N N 15 9.506910 0.160600 . . . . 243 THR N 27722 1 95 . 1 1 132 132 SER N N 15 9.256800 0.188800 . . . . 244 SER N 27722 1 96 . 1 1 133 133 ALA N N 15 9.612910 0.147630 . . . . 245 ALA N 27722 1 97 . 1 1 134 134 SER N N 15 9.065140 0.184950 . . . . 246 SER N 27722 1 98 . 1 1 135 135 TYR N N 15 9.150320 0.117920 . . . . 247 TYR N 27722 1 99 . 1 1 136 136 THR N N 15 9.222820 0.146110 . . . . 248 THR N 27722 1 100 . 1 1 137 137 MET N N 15 9.050010 0.156900 . . . . 249 MET N 27722 1 101 . 1 1 138 138 ILE N N 15 8.960730 0.105190 . . . . 250 ILE N 27722 1 stop_ save_ save_backbone_15N_T2_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode backbone_15N_T2_600 _Heteronucl_T2_list.Entry_ID 27722 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method Thermocouple _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 599882216 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 '15N T2' . . . 27722 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $Analysis . . 27722 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ILE N N 15 8.091210 0.050490 . . . . 115 ILE N 27722 2 2 . 1 1 4 4 VAL N N 15 8.759420 0.074410 . . . . 116 VAL N 27722 2 3 . 1 1 6 6 TYR N N 15 9.570280 0.286760 . . . . 118 TYR N 27722 2 4 . 1 1 7 7 ASN N N 15 10.236250 0.068840 . . . . 119 ASN N 27722 2 5 . 1 1 8 8 LEU N N 15 9.611910 0.084870 . . . . 120 LEU N 27722 2 6 . 1 1 10 10 LEU N N 15 9.194070 0.103810 . . . . 122 LEU N 27722 2 7 . 1 1 13 13 GLY N N 15 10.011690 0.081770 . . . . 125 GLY N 27722 2 8 . 1 1 14 14 VAL N N 15 9.302670 0.116620 . . . . 126 VAL N 27722 2 9 . 1 1 15 15 VAL N N 15 10.407460 0.128880 . . . . 127 VAL N 27722 2 10 . 1 1 17 17 ARG N N 15 9.722400 0.179170 . . . . 129 ARG N 27722 2 11 . 1 1 18 18 MET N N 15 10.252070 0.062410 . . . . 130 MET N 27722 2 12 . 1 1 19 19 LEU N N 15 10.072270 0.128240 . . . . 131 LEU N 27722 2 13 . 1 1 20 20 ILE N N 15 9.924700 0.144740 . . . . 132 ILE N 27722 2 14 . 1 1 22 22 ILE N N 15 9.711310 0.100790 . . . . 134 ILE N 27722 2 15 . 1 1 23 23 LEU N N 15 10.041580 0.158880 . . . . 135 LEU N 27722 2 16 . 1 1 24 24 GLY N N 15 9.480930 0.138420 . . . . 136 GLY N 27722 2 17 . 1 1 25 25 THR N N 15 9.715880 0.086690 . . . . 137 THR N 27722 2 18 . 1 1 27 27 LYS N N 15 10.599910 0.234740 . . . . 139 LYS N 27722 2 19 . 1 1 30 30 ALA N N 15 8.808650 0.119960 . . . . 142 ALA N 27722 2 20 . 1 1 31 31 ASN N N 15 9.404210 0.124840 . . . . 143 ASN N 27722 2 21 . 1 1 33 33 ILE N N 15 9.577690 0.118910 . . . . 145 ILE N 27722 2 22 . 1 1 34 34 ALA N N 15 9.662310 0.265150 . . . . 146 ALA N 27722 2 23 . 1 1 35 35 LEU N N 15 10.234300 0.245500 . . . . 147 LEU N 27722 2 24 . 1 1 36 36 ASP N N 15 9.339810 0.108050 . . . . 148 ASP N 27722 2 25 . 1 1 38 38 GLN N N 15 9.631080 0.191100 . . . . 150 GLN N 27722 2 26 . 1 1 39 39 ARG N N 15 9.714350 0.166480 . . . . 151 ARG N 27722 2 27 . 1 1 42 42 ASP N N 15 10.518480 0.233900 . . . . 154 ASP N 27722 2 28 . 1 1 43 43 VAL N N 15 9.938380 0.170790 . . . . 155 VAL N 27722 2 29 . 1 1 45 45 PHE N N 15 9.757520 0.208900 . . . . 157 PHE N 27722 2 30 . 1 1 46 46 HIS N N 15 9.993660 0.088650 . . . . 158 HIS N 27722 2 31 . 1 1 47 47 PHE N N 15 9.900080 0.149400 . . . . 159 PHE N 27722 2 32 . 1 1 51 51 PHE N N 15 9.994670 0.199080 . . . . 163 PHE N 27722 2 33 . 1 1 55 55 ASN N N 15 9.477750 0.198370 . . . . 167 ASN N 27722 2 34 . 1 1 56 56 ARG N N 15 8.978170 0.077750 . . . . 168 ARG N 27722 2 35 . 1 1 57 57 ARG N N 15 8.821170 0.134490 . . . . 169 ARG N 27722 2 36 . 1 1 58 58 VAL N N 15 9.829640 0.152200 . . . . 170 VAL N 27722 2 37 . 1 1 59 59 ILE N N 15 9.549350 0.119430 . . . . 171 ILE N 27722 2 38 . 1 1 60 60 VAL N N 15 10.001140 0.089010 . . . . 172 VAL N 27722 2 39 . 1 1 61 61 CYS N N 15 10.071020 0.256070 . . . . 173 CYS N 27722 2 40 . 1 1 62 62 ASN N N 15 9.903280 0.189030 . . . . 174 ASN N 27722 2 41 . 1 1 63 63 THR N N 15 9.733590 0.217280 . . . . 175 THR N 27722 2 42 . 1 1 64 64 LYS N N 15 10.269020 0.166950 . . . . 176 LYS N 27722 2 43 . 1 1 65 65 LEU N N 15 9.915230 0.179260 . . . . 177 LEU N 27722 2 44 . 1 1 66 66 ASP N N 15 10.029260 0.167280 . . . . 178 ASP N 27722 2 45 . 1 1 67 67 ASN N N 15 10.678340 0.176510 . . . . 179 ASN N 27722 2 46 . 1 1 68 68 ASN N N 15 9.445670 0.258440 . . . . 180 ASN N 27722 2 47 . 1 1 69 69 TRP N N 15 10.824860 0.202880 . . . . 181 TRP N 27722 2 48 . 1 1 70 70 GLY N N 15 9.925220 0.180930 . . . . 182 GLY N 27722 2 49 . 1 1 71 71 ARG N N 15 12.083740 0.254130 . . . . 183 ARG N 27722 2 50 . 1 1 73 73 GLU N N 15 9.970820 0.125720 . . . . 185 GLU N 27722 2 51 . 1 1 75 75 GLN N N 15 9.667970 0.126860 . . . . 187 GLN N 27722 2 52 . 1 1 77 77 VAL N N 15 12.934440 0.159180 . . . . 189 VAL N 27722 2 53 . 1 1 78 78 PHE N N 15 10.964120 0.293150 . . . . 190 PHE N 27722 2 54 . 1 1 80 80 PHE N N 15 7.859390 0.158030 . . . . 192 PHE N 27722 2 55 . 1 1 82 82 SER N N 15 10.647460 0.334200 . . . . 194 SER N 27722 2 56 . 1 1 83 83 GLY N N 15 9.559900 0.070020 . . . . 195 GLY N 27722 2 57 . 1 1 84 84 LYS N N 15 10.051480 0.158640 . . . . 196 LYS N 27722 2 58 . 1 1 86 86 PHE N N 15 9.438730 0.114070 . . . . 198 PHE N 27722 2 59 . 1 1 87 87 LYS N N 15 9.991810 0.100980 . . . . 199 LYS N 27722 2 60 . 1 1 88 88 ILE N N 15 9.757950 0.118640 . . . . 200 ILE N 27722 2 61 . 1 1 90 90 VAL N N 15 10.253560 0.199850 . . . . 202 VAL N 27722 2 62 . 1 1 91 91 LEU N N 15 9.928130 0.106380 . . . . 203 LEU N 27722 2 63 . 1 1 92 92 VAL N N 15 10.348450 0.156100 . . . . 204 VAL N 27722 2 64 . 1 1 95 95 ASP N N 15 13.586960 0.281770 . . . . 207 ASP N 27722 2 65 . 1 1 96 96 HIS N N 15 12.130310 0.205310 . . . . 208 HIS N 27722 2 66 . 1 1 97 97 PHE N N 15 9.915450 0.158320 . . . . 209 PHE N 27722 2 67 . 1 1 98 98 LYS N N 15 15.362890 0.265800 . . . . 210 LYS N 27722 2 68 . 1 1 100 100 ALA N N 15 9.968780 0.133180 . . . . 212 ALA N 27722 2 69 . 1 1 101 101 VAL N N 15 10.516040 0.173520 . . . . 213 VAL N 27722 2 70 . 1 1 102 102 ASN N N 15 9.862530 0.162850 . . . . 214 ASN N 27722 2 71 . 1 1 103 103 ASP N N 15 11.039050 0.161350 . . . . 215 ASP N 27722 2 72 . 1 1 104 104 ALA N N 15 9.263340 0.116350 . . . . 216 ALA N 27722 2 73 . 1 1 107 107 LEU N N 15 14.849620 0.218300 . . . . 219 LEU N 27722 2 74 . 1 1 108 108 GLN N N 15 11.034370 0.096830 . . . . 220 GLN N 27722 2 75 . 1 1 110 110 ASN N N 15 10.440560 0.136570 . . . . 222 ASN N 27722 2 76 . 1 1 111 111 HIS N N 15 10.053690 0.175640 . . . . 223 HIS N 27722 2 77 . 1 1 112 112 ARG N N 15 10.188760 0.201270 . . . . 224 ARG N 27722 2 78 . 1 1 113 113 VAL N N 15 9.709360 0.090570 . . . . 225 VAL N 27722 2 79 . 1 1 115 115 LYS N N 15 10.407680 0.370080 . . . . 227 LYS N 27722 2 80 . 1 1 116 116 LEU N N 15 9.520060 0.168970 . . . . 228 LEU N 27722 2 81 . 1 1 117 117 ASN N N 15 10.557480 0.118350 . . . . 229 ASN N 27722 2 82 . 1 1 118 118 GLU N N 15 9.630300 0.087630 . . . . 230 GLU N 27722 2 83 . 1 1 119 119 ILE N N 15 10.151090 0.124750 . . . . 231 ILE N 27722 2 84 . 1 1 120 120 SER N N 15 8.465860 0.139460 . . . . 232 SER N 27722 2 85 . 1 1 121 121 LYS N N 15 10.511080 0.083990 . . . . 233 LYS N 27722 2 86 . 1 1 122 122 LEU N N 15 9.621810 0.099110 . . . . 234 LEU N 27722 2 87 . 1 1 123 123 GLY N N 15 10.059130 0.095700 . . . . 235 GLY N 27722 2 88 . 1 1 124 124 ILE N N 15 9.381090 0.131290 . . . . 236 ILE N 27722 2 89 . 1 1 126 126 GLY N N 15 9.616200 0.144930 . . . . 238 GLY N 27722 2 90 . 1 1 127 127 ASP N N 15 9.626450 0.076280 . . . . 239 ASP N 27722 2 91 . 1 1 128 128 ILE N N 15 9.940140 0.110520 . . . . 240 ILE N 27722 2 92 . 1 1 129 129 ASP N N 15 9.436280 0.086190 . . . . 241 ASP N 27722 2 93 . 1 1 130 130 LEU N N 15 9.117290 0.118410 . . . . 242 LEU N 27722 2 94 . 1 1 131 131 THR N N 15 10.444940 0.147020 . . . . 243 THR N 27722 2 95 . 1 1 132 132 SER N N 15 9.609000 0.135510 . . . . 244 SER N 27722 2 96 . 1 1 133 133 ALA N N 15 9.893240 0.271590 . . . . 245 ALA N 27722 2 97 . 1 1 134 134 SER N N 15 9.594590 0.082630 . . . . 246 SER N 27722 2 98 . 1 1 135 135 TYR N N 15 9.867490 0.080610 . . . . 247 TYR N 27722 2 99 . 1 1 136 136 THR N N 15 9.819400 0.169040 . . . . 248 THR N 27722 2 100 . 1 1 137 137 MET N N 15 9.338420 0.260240 . . . . 249 MET N 27722 2 101 . 1 1 138 138 ILE N N 15 9.213270 0.079490 . . . . 250 ILE N 27722 2 stop_ save_ save_backbone_15N_T2_900 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode backbone_15N_T2_900 _Heteronucl_T2_list.Entry_ID 27722 _Heteronucl_T2_list.ID 3 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method Thermocouple _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 899894229 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 '15N T2' . . . 27722 3 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $Analysis . . 27722 3 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ILE N N 15 9.300300 0.125870 . . . . 115 ILE N 27722 3 2 . 1 1 4 4 VAL N N 15 10.006520 0.089970 . . . . 116 VAL N 27722 3 3 . 1 1 6 6 TYR N N 15 11.426010 0.212940 . . . . 118 TYR N 27722 3 4 . 1 1 7 7 ASN N N 15 9.638180 0.833260 . . . . 119 ASN N 27722 3 5 . 1 1 8 8 LEU N N 15 11.227580 0.206900 . . . . 120 LEU N 27722 3 6 . 1 1 10 10 LEU N N 15 10.088660 0.196130 . . . . 122 LEU N 27722 3 7 . 1 1 13 13 GLY N N 15 11.463170 0.489400 . . . . 125 GLY N 27722 3 8 . 1 1 14 14 VAL N N 15 11.170650 0.377750 . . . . 126 VAL N 27722 3 9 . 1 1 15 15 VAL N N 15 13.416400 0.238770 . . . . 127 VAL N 27722 3 10 . 1 1 17 17 ARG N N 15 11.058710 0.362540 . . . . 129 ARG N 27722 3 11 . 1 1 18 18 MET N N 15 12.225900 0.216900 . . . . 130 MET N 27722 3 12 . 1 1 19 19 LEU N N 15 13.091910 0.335950 . . . . 131 LEU N 27722 3 13 . 1 1 20 20 ILE N N 15 11.295280 0.264740 . . . . 132 ILE N 27722 3 14 . 1 1 22 22 ILE N N 15 11.330880 0.218450 . . . . 134 ILE N 27722 3 15 . 1 1 23 23 LEU N N 15 11.494230 0.290810 . . . . 135 LEU N 27722 3 16 . 1 1 24 24 GLY N N 15 11.387570 0.156330 . . . . 136 GLY N 27722 3 17 . 1 1 25 25 THR N N 15 10.775950 0.251200 . . . . 137 THR N 27722 3 18 . 1 1 27 27 LYS N N 15 13.130700 0.196110 . . . . 139 LYS N 27722 3 19 . 1 1 30 30 ALA N N 15 10.862790 0.466900 . . . . 142 ALA N 27722 3 20 . 1 1 31 31 ASN N N 15 10.596970 0.298220 . . . . 143 ASN N 27722 3 21 . 1 1 33 33 ILE N N 15 10.908360 0.269490 . . . . 145 ILE N 27722 3 22 . 1 1 34 34 ALA N N 15 11.636020 0.235040 . . . . 146 ALA N 27722 3 23 . 1 1 35 35 LEU N N 15 11.274510 0.254020 . . . . 147 LEU N 27722 3 24 . 1 1 36 36 ASP N N 15 10.297840 0.233970 . . . . 148 ASP N 27722 3 25 . 1 1 38 38 GLN N N 15 10.926220 0.359730 . . . . 150 GLN N 27722 3 26 . 1 1 39 39 ARG N N 15 10.916180 0.426480 . . . . 151 ARG N 27722 3 27 . 1 1 42 42 ASP N N 15 11.746110 0.801730 . . . . 154 ASP N 27722 3 28 . 1 1 43 43 VAL N N 15 10.897170 0.462000 . . . . 155 VAL N 27722 3 29 . 1 1 45 45 PHE N N 15 11.606400 0.381100 . . . . 157 PHE N 27722 3 30 . 1 1 46 46 HIS N N 15 12.546540 0.550640 . . . . 158 HIS N 27722 3 31 . 1 1 47 47 PHE N N 15 11.238860 0.293460 . . . . 159 PHE N 27722 3 32 . 1 1 51 51 PHE N N 15 11.211890 0.406150 . . . . 163 PHE N 27722 3 33 . 1 1 55 55 ASN N N 15 9.872920 0.787810 . . . . 167 ASN N 27722 3 34 . 1 1 56 56 ARG N N 15 10.535540 0.512420 . . . . 168 ARG N 27722 3 35 . 1 1 57 57 ARG N N 15 10.222600 0.305560 . . . . 169 ARG N 27722 3 36 . 1 1 58 58 VAL N N 15 11.077380 0.356820 . . . . 170 VAL N 27722 3 37 . 1 1 59 59 ILE N N 15 10.632860 0.259940 . . . . 171 ILE N 27722 3 38 . 1 1 60 60 VAL N N 15 11.260970 0.363220 . . . . 172 VAL N 27722 3 39 . 1 1 61 61 CYS N N 15 10.977950 0.461390 . . . . 173 CYS N 27722 3 40 . 1 1 62 62 ASN N N 15 11.232570 0.640240 . . . . 174 ASN N 27722 3 41 . 1 1 63 63 THR N N 15 10.110230 0.752110 . . . . 175 THR N 27722 3 42 . 1 1 64 64 LYS N N 15 11.541100 0.392460 . . . . 176 LYS N 27722 3 43 . 1 1 65 65 LEU N N 15 11.355810 0.491030 . . . . 177 LEU N 27722 3 44 . 1 1 66 66 ASP N N 15 11.089820 0.534290 . . . . 178 ASP N 27722 3 45 . 1 1 67 67 ASN N N 15 12.484680 0.545550 . . . . 179 ASN N 27722 3 46 . 1 1 68 68 ASN N N 15 11.289800 0.541810 . . . . 180 ASN N 27722 3 47 . 1 1 69 69 TRP N N 15 10.886470 0.990350 . . . . 181 TRP N 27722 3 48 . 1 1 70 70 GLY N N 15 10.220150 0.581860 . . . . 182 GLY N 27722 3 49 . 1 1 71 71 ARG N N 15 13.093050 1.265980 . . . . 183 ARG N 27722 3 50 . 1 1 73 73 GLU N N 15 10.152950 0.582940 . . . . 185 GLU N 27722 3 51 . 1 1 75 75 GLN N N 15 10.578920 0.524860 . . . . 187 GLN N 27722 3 52 . 1 1 77 77 VAL N N 15 16.702630 0.733000 . . . . 189 VAL N 27722 3 53 . 1 1 78 78 PHE N N 15 10.986490 0.982970 . . . . 190 PHE N 27722 3 54 . 1 1 80 80 PHE N N 15 9.200490 0.354140 . . . . 192 PHE N 27722 3 55 . 1 1 82 82 SER N N 15 9.848590 1.153630 . . . . 194 SER N 27722 3 56 . 1 1 83 83 GLY N N 15 10.799610 0.356070 . . . . 195 GLY N 27722 3 57 . 1 1 84 84 LYS N N 15 12.139800 0.245390 . . . . 196 LYS N 27722 3 58 . 1 1 86 86 PHE N N 15 11.326020 0.218840 . . . . 198 PHE N 27722 3 59 . 1 1 87 87 LYS N N 15 10.935000 0.223260 . . . . 199 LYS N 27722 3 60 . 1 1 88 88 ILE N N 15 11.133340 0.275780 . . . . 200 ILE N 27722 3 61 . 1 1 90 90 VAL N N 15 11.914690 0.210130 . . . . 202 VAL N 27722 3 62 . 1 1 91 91 LEU N N 15 11.676600 0.153880 . . . . 203 LEU N 27722 3 63 . 1 1 92 92 VAL N N 15 13.638630 0.200100 . . . . 204 VAL N 27722 3 64 . 1 1 95 95 ASP N N 15 20.931310 1.756120 . . . . 207 ASP N 27722 3 65 . 1 1 96 96 HIS N N 15 16.733760 0.622680 . . . . 208 HIS N 27722 3 66 . 1 1 97 97 PHE N N 15 11.400860 0.444850 . . . . 209 PHE N 27722 3 67 . 1 1 98 98 LYS N N 15 23.457290 0.701730 . . . . 210 LYS N 27722 3 68 . 1 1 100 100 ALA N N 15 11.796660 0.173110 . . . . 212 ALA N 27722 3 69 . 1 1 101 101 VAL N N 15 11.779630 0.231820 . . . . 213 VAL N 27722 3 70 . 1 1 102 102 ASN N N 15 11.791160 0.329750 . . . . 214 ASN N 27722 3 71 . 1 1 103 103 ASP N N 15 12.732730 0.617670 . . . . 215 ASP N 27722 3 72 . 1 1 104 104 ALA N N 15 10.623340 0.382530 . . . . 216 ALA N 27722 3 73 . 1 1 107 107 LEU N N 15 17.491670 0.357510 . . . . 219 LEU N 27722 3 74 . 1 1 108 108 GLN N N 15 13.319880 0.442270 . . . . 220 GLN N 27722 3 75 . 1 1 110 110 ASN N N 15 11.893800 0.624790 . . . . 222 ASN N 27722 3 76 . 1 1 111 111 HIS N N 15 11.414100 0.647350 . . . . 223 HIS N 27722 3 77 . 1 1 112 112 ARG N N 15 10.310740 1.009660 . . . . 224 ARG N 27722 3 78 . 1 1 113 113 VAL N N 15 9.234740 0.725460 . . . . 225 VAL N 27722 3 79 . 1 1 115 115 LYS N N 15 9.539170 1.308770 . . . . 227 LYS N 27722 3 80 . 1 1 116 116 LEU N N 15 10.406510 0.407310 . . . . 228 LEU N 27722 3 81 . 1 1 117 117 ASN N N 15 11.336090 0.707070 . . . . 229 ASN N 27722 3 82 . 1 1 118 118 GLU N N 15 11.225950 0.533810 . . . . 230 GLU N 27722 3 83 . 1 1 119 119 ILE N N 15 11.282190 0.378940 . . . . 231 ILE N 27722 3 84 . 1 1 120 120 SER N N 15 9.575300 0.401260 . . . . 232 SER N 27722 3 85 . 1 1 121 121 LYS N N 15 13.002720 0.280600 . . . . 233 LYS N 27722 3 86 . 1 1 122 122 LEU N N 15 11.142830 0.111680 . . . . 234 LEU N 27722 3 87 . 1 1 123 123 GLY N N 15 11.222720 0.225750 . . . . 235 GLY N 27722 3 88 . 1 1 124 124 ILE N N 15 11.410000 0.378550 . . . . 236 ILE N 27722 3 89 . 1 1 126 126 GLY N N 15 11.021480 0.254230 . . . . 238 GLY N 27722 3 90 . 1 1 127 127 ASP N N 15 10.803300 0.231570 . . . . 239 ASP N 27722 3 91 . 1 1 128 128 ILE N N 15 11.307990 0.244750 . . . . 240 ILE N 27722 3 92 . 1 1 129 129 ASP N N 15 10.808950 0.187820 . . . . 241 ASP N 27722 3 93 . 1 1 130 130 LEU N N 15 10.370840 0.390180 . . . . 242 LEU N 27722 3 94 . 1 1 131 131 THR N N 15 12.154640 0.239320 . . . . 243 THR N 27722 3 95 . 1 1 132 132 SER N N 15 11.006620 0.244480 . . . . 244 SER N 27722 3 96 . 1 1 133 133 ALA N N 15 11.157440 0.479070 . . . . 245 ALA N 27722 3 97 . 1 1 134 134 SER N N 15 11.097480 0.350060 . . . . 246 SER N 27722 3 98 . 1 1 135 135 TYR N N 15 11.060670 0.485640 . . . . 247 TYR N 27722 3 99 . 1 1 136 136 THR N N 15 11.379740 0.325440 . . . . 248 THR N 27722 3 100 . 1 1 137 137 MET N N 15 9.672000 0.628180 . . . . 249 MET N 27722 3 101 . 1 1 138 138 ILE N N 15 10.576780 0.373010 . . . . 250 ILE N 27722 3 stop_ save_ save_Arg_Ne_T2_500 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode Arg_Ne_T2_500 _Heteronucl_T2_list.Entry_ID 27722 _Heteronucl_T2_list.ID 4 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method Thermocouple _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 499260345 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 '15N T2' . . . 27722 4 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $Analysis . . 27722 4 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 17 17 ARG NE N 15 5.24018 0.40466 . . . . 129 ARG NE 27722 4 2 . 1 1 50 50 ARG NE N 15 9.1903 0.2976 . . . . 162 ARG NE 27722 4 3 . 1 1 56 56 ARG NE N 15 7.1916 0.21728 . . . . 168 ARG NE 27722 4 4 . 1 1 74 74 ARG NE N 15 8.98985 0.23963 . . . . 186 ARG NE 27722 4 5 . 1 1 112 112 ARG NE N 15 8.98919 0.20241 . . . . 224 ARG NE 27722 4 stop_ save_ save_Arg_Ne_T2_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode Arg_Ne_T2_600 _Heteronucl_T2_list.Entry_ID 27722 _Heteronucl_T2_list.ID 5 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method Thermocouple _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 599882216 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 '15N T2' . . . 27722 5 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $Analysis . . 27722 5 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 17 17 ARG NE N 15 7.52788 0.20582 . . . . 129 ARG NE 27722 5 2 . 1 1 50 50 ARG NE N 15 9.88532 0.20571 . . . . 162 ARG NE 27722 5 3 . 1 1 56 56 ARG NE N 15 7.76733 0.17886 . . . . 168 ARG NE 27722 5 4 . 1 1 74 74 ARG NE N 15 8.84927 0.22253 . . . . 186 ARG NE 27722 5 5 . 1 1 112 112 ARG NE N 15 9.72937 0.34169 . . . . 224 ARG NE 27722 5 stop_ save_ save_Methyl_T2_500 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode Methyl_T2_500 _Heteronucl_T2_list.Entry_ID 27722 _Heteronucl_T2_list.ID 6 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method Thermocouple _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 499260345 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 11 R2(D+) . . . 27722 6 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 5 $PINT . . 27722 6 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 LEU CD1 C 13 74.282 3.536 . . . . 114 LEU CD1 27722 6 2 . 1 1 2 2 LEU CD2 C 13 70.647 2.630 . . . . 114 LEU CD2 27722 6 3 . 1 1 3 3 ILE CD1 C 13 33.778 1.081 . . . . 115 ILE CD1 27722 6 4 . 1 1 3 3 ILE CG2 C 13 69.455 1.652 . . . . 115 ILE CG2 27722 6 5 . 1 1 4 4 VAL CG2 C 13 115.839 5.135 . . . . 116 VAL CG2 27722 6 6 . 1 1 8 8 LEU CD1 C 13 120.000 15.379 . . . . 120 LEU CD1 27722 6 7 . 1 1 8 8 LEU CD2 C 13 85.389 9.928 . . . . 120 LEU CD2 27722 6 8 . 1 1 10 10 LEU CD1 C 13 102.300 13.227 . . . . 122 LEU CD1 27722 6 9 . 1 1 14 14 VAL CG1 C 13 116.674 8.793 . . . . 126 VAL CG1 27722 6 10 . 1 1 14 14 VAL CG2 C 13 119.982 8.683 . . . . 126 VAL CG2 27722 6 11 . 1 1 15 15 VAL CG2 C 13 62.855 1.965 . . . . 127 VAL CG2 27722 6 12 . 1 1 18 18 MET CE C 13 53.590 0.893 . . . . 130 MET CE 27722 6 13 . 1 1 19 19 LEU CD2 C 13 77.569 3.900 . . . . 131 LEU CD2 27722 6 14 . 1 1 20 20 ILE CD1 C 13 43.209 2.209 . . . . 132 ILE CD1 27722 6 15 . 1 1 20 20 ILE CG2 C 13 107.307 7.050 . . . . 132 ILE CG2 27722 6 16 . 1 1 21 21 THR CG2 C 13 116.391 6.807 . . . . 133 THR CG2 27722 6 17 . 1 1 22 22 ILE CG2 C 13 110.274 5.781 . . . . 134 ILE CG2 27722 6 18 . 1 1 23 23 LEU CD2 C 13 53.890 2.469 . . . . 135 LEU CD2 27722 6 19 . 1 1 25 25 THR CG2 C 13 93.431 3.686 . . . . 137 THR CG2 27722 6 20 . 1 1 26 26 VAL CG1 C 13 190.807 41.775 . . . . 138 VAL CG1 27722 6 21 . 1 1 26 26 VAL CG2 C 13 94.993 7.368 . . . . 138 VAL CG2 27722 6 22 . 1 1 30 30 ALA CB C 13 120.503 9.679 . . . . 142 ALA CB 27722 6 23 . 1 1 33 33 ILE CD1 C 13 117.387 9.135 . . . . 145 ILE CD1 27722 6 24 . 1 1 33 33 ILE CG2 C 13 98.714 4.873 . . . . 145 ILE CG2 27722 6 25 . 1 1 34 34 ALA CB C 13 131.358 14.763 . . . . 146 ALA CB 27722 6 26 . 1 1 35 35 LEU CD1 C 13 51.836 2.557 . . . . 147 LEU CD1 27722 6 27 . 1 1 35 35 LEU CD2 C 13 62.686 3.858 . . . . 147 LEU CD2 27722 6 28 . 1 1 43 43 VAL CG1 C 13 101.528 5.967 . . . . 155 VAL CG1 27722 6 29 . 1 1 43 43 VAL CG2 C 13 158.132 14.386 . . . . 155 VAL CG2 27722 6 30 . 1 1 44 44 ALA CB C 13 152.937 19.253 . . . . 156 ALA CB 27722 6 31 . 1 1 58 58 VAL CG1 C 13 72.821 4.566 . . . . 170 VAL CG1 27722 6 32 . 1 1 58 58 VAL CG2 C 13 94.442 5.768 . . . . 170 VAL CG2 27722 6 33 . 1 1 59 59 ILE CG2 C 13 96.736 4.521 . . . . 171 ILE CG2 27722 6 34 . 1 1 60 60 VAL CG1 C 13 109.973 9.959 . . . . 172 VAL CG1 27722 6 35 . 1 1 60 60 VAL CG2 C 13 133.178 12.551 . . . . 172 VAL CG2 27722 6 36 . 1 1 63 63 THR CG2 C 13 133.131 9.758 . . . . 175 THR CG2 27722 6 37 . 1 1 77 77 VAL CG1 C 13 93.504 4.573 . . . . 189 VAL CG1 27722 6 38 . 1 1 77 77 VAL CG2 C 13 92.891 3.500 . . . . 189 VAL CG2 27722 6 39 . 1 1 88 88 ILE CG2 C 13 107.886 4.740 . . . . 200 ILE CG2 27722 6 40 . 1 1 91 91 LEU CD1 C 13 76.092 4.960 . . . . 203 LEU CD1 27722 6 41 . 1 1 91 91 LEU CD2 C 13 58.771 10.600 . . . . 203 LEU CD2 27722 6 42 . 1 1 92 92 VAL CG1 C 13 112.648 8.959 . . . . 204 VAL CG1 27722 6 43 . 1 1 92 92 VAL CG2 C 13 106.271 6.347 . . . . 204 VAL CG2 27722 6 44 . 1 1 99 99 VAL CG1 C 13 110.336 7.427 . . . . 211 VAL CG1 27722 6 45 . 1 1 99 99 VAL CG2 C 13 120.038 8.331 . . . . 211 VAL CG2 27722 6 46 . 1 1 100 100 ALA CB C 13 119.379 5.638 . . . . 212 ALA CB 27722 6 47 . 1 1 101 101 VAL CG1 C 13 122.756 8.333 . . . . 213 VAL CG1 27722 6 48 . 1 1 104 104 ALA CB C 13 108.822 4.651 . . . . 216 ALA CB 27722 6 49 . 1 1 106 106 LEU CD1 C 13 158.553 23.242 . . . . 218 LEU CD1 27722 6 50 . 1 1 106 106 LEU CD2 C 13 172.533 36.743 . . . . 218 LEU CD2 27722 6 51 . 1 1 113 113 VAL CG1 C 13 122.542 8.254 . . . . 225 VAL CG1 27722 6 52 . 1 1 113 113 VAL CG2 C 13 113.959 4.578 . . . . 225 VAL CG2 27722 6 53 . 1 1 116 116 LEU CD1 C 13 112.715 10.750 . . . . 228 LEU CD1 27722 6 54 . 1 1 116 116 LEU CD2 C 13 85.712 6.718 . . . . 228 LEU CD2 27722 6 55 . 1 1 119 119 ILE CD1 C 13 77.165 4.596 . . . . 231 ILE CD1 27722 6 56 . 1 1 119 119 ILE CG2 C 13 98.751 6.586 . . . . 231 ILE CG2 27722 6 57 . 1 1 122 122 LEU CD1 C 13 80.091 9.197 . . . . 234 LEU CD1 27722 6 58 . 1 1 122 122 LEU CD2 C 13 92.848 13.710 . . . . 234 LEU CD2 27722 6 59 . 1 1 124 124 ILE CD1 C 13 60.556 3.703 . . . . 236 ILE CD1 27722 6 60 . 1 1 124 124 ILE CG2 C 13 111.448 6.373 . . . . 236 ILE CG2 27722 6 61 . 1 1 130 130 LEU CD2 C 13 52.213 2.113 . . . . 242 LEU CD2 27722 6 62 . 1 1 133 133 ALA CB C 13 133.339 8.521 . . . . 245 ALA CB 27722 6 63 . 1 1 136 136 THR CG2 C 13 85.200 3.973 . . . . 248 THR CG2 27722 6 64 . 1 1 137 137 MET CE C 13 57.307 0.725 . . . . 249 MET CE 27722 6 65 . 1 1 138 138 ILE CD1 C 13 49.151 1.651 . . . . 250 ILE CD1 27722 6 66 . 1 1 138 138 ILE CG2 C 13 77.311 2.302 . . . . 250 ILE CG2 27722 6 stop_ save_ save_Methyl_T2_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode Methyl_T2_600 _Heteronucl_T2_list.Entry_ID 27722 _Heteronucl_T2_list.ID 7 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method Thermocouple _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 499260345 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 11 R2(D+) . . . 27722 7 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 5 $PINT . . 27722 7 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 LEU CD1 C 13 70.976 2.821 . . . . 114 LEU CD1 27722 7 2 . 1 1 2 2 LEU CD2 C 13 64.674 1.772 . . . . 114 LEU CD2 27722 7 3 . 1 1 3 3 ILE CD1 C 13 34.218 0.770 . . . . 115 ILE CD1 27722 7 4 . 1 1 3 3 ILE CG2 C 13 69.448 1.310 . . . . 115 ILE CG2 27722 7 5 . 1 1 4 4 VAL CG2 C 13 106.407 5.285 . . . . 116 VAL CG2 27722 7 6 . 1 1 8 8 LEU CD1 C 13 91.696 9.570 . . . . 120 LEU CD1 27722 7 7 . 1 1 8 8 LEU CD2 C 13 82.341 6.054 . . . . 120 LEU CD2 27722 7 8 . 1 1 10 10 LEU CD1 C 13 77.308 6.422 . . . . 122 LEU CD1 27722 7 9 . 1 1 14 14 VAL CG1 C 13 127.694 8.709 . . . . 126 VAL CG1 27722 7 10 . 1 1 14 14 VAL CG2 C 13 104.699 5.733 . . . . 126 VAL CG2 27722 7 11 . 1 1 15 15 VAL CG2 C 13 63.291 1.375 . . . . 127 VAL CG2 27722 7 12 . 1 1 18 18 MET CE C 13 53.661 0.822 . . . . 130 MET CE 27722 7 13 . 1 1 19 19 LEU CD1 C 13 95.296 12.111 . . . . 131 LEU CD1 27722 7 14 . 1 1 19 19 LEU CD2 C 13 72.001 2.815 . . . . 131 LEU CD2 27722 7 15 . 1 1 20 20 ILE CD1 C 13 41.140 1.611 . . . . 132 ILE CD1 27722 7 16 . 1 1 20 20 ILE CG2 C 13 100.816 5.783 . . . . 132 ILE CG2 27722 7 17 . 1 1 21 21 THR CG2 C 13 102.527 6.463 . . . . 133 THR CG2 27722 7 18 . 1 1 22 22 ILE CG2 C 13 103.965 4.431 . . . . 134 ILE CG2 27722 7 19 . 1 1 23 23 LEU CD2 C 13 54.095 1.398 . . . . 135 LEU CD2 27722 7 20 . 1 1 25 25 THR CG2 C 13 90.110 3.198 . . . . 137 THR CG2 27722 7 21 . 1 1 26 26 VAL CG1 C 13 162.705 27.147 . . . . 138 VAL CG1 27722 7 22 . 1 1 26 26 VAL CG2 C 13 101.118 6.635 . . . . 138 VAL CG2 27722 7 23 . 1 1 30 30 ALA CB C 13 128.146 8.037 . . . . 142 ALA CB 27722 7 24 . 1 1 33 33 ILE CD1 C 13 93.132 6.341 . . . . 145 ILE CD1 27722 7 25 . 1 1 33 33 ILE CG2 C 13 90.481 3.964 . . . . 145 ILE CG2 27722 7 26 . 1 1 34 34 ALA CB C 13 140.615 11.446 . . . . 146 ALA CB 27722 7 27 . 1 1 35 35 LEU CD1 C 13 53.135 1.783 . . . . 147 LEU CD1 27722 7 28 . 1 1 35 35 LEU CD2 C 13 57.455 2.388 . . . . 147 LEU CD2 27722 7 29 . 1 1 43 43 VAL CG1 C 13 117.423 5.012 . . . . 155 VAL CG1 27722 7 30 . 1 1 43 43 VAL CG2 C 13 114.382 8.921 . . . . 155 VAL CG2 27722 7 31 . 1 1 44 44 ALA CB C 13 132.555 12.018 . . . . 156 ALA CB 27722 7 32 . 1 1 58 58 VAL CG1 C 13 75.380 3.165 . . . . 170 VAL CG1 27722 7 33 . 1 1 58 58 VAL CG2 C 13 98.577 4.334 . . . . 170 VAL CG2 27722 7 34 . 1 1 59 59 ILE CG2 C 13 111.778 4.801 . . . . 171 ILE CG2 27722 7 35 . 1 1 60 60 VAL CG1 C 13 105.124 8.671 . . . . 172 VAL CG1 27722 7 36 . 1 1 60 60 VAL CG2 C 13 111.838 9.173 . . . . 172 VAL CG2 27722 7 37 . 1 1 63 63 THR CG2 C 13 102.014 10.351 . . . . 175 THR CG2 27722 7 38 . 1 1 77 77 VAL CG1 C 13 92.300 2.980 . . . . 189 VAL CG1 27722 7 39 . 1 1 77 77 VAL CG2 C 13 83.923 2.483 . . . . 189 VAL CG2 27722 7 40 . 1 1 88 88 ILE CG2 C 13 97.823 3.708 . . . . 200 ILE CG2 27722 7 41 . 1 1 91 91 LEU CD1 C 13 78.234 3.077 . . . . 203 LEU CD1 27722 7 42 . 1 1 91 91 LEU CD2 C 13 91.371 5.150 . . . . 203 LEU CD2 27722 7 43 . 1 1 92 92 VAL CG1 C 13 113.208 5.791 . . . . 204 VAL CG1 27722 7 44 . 1 1 92 92 VAL CG2 C 13 112.698 5.659 . . . . 204 VAL CG2 27722 7 45 . 1 1 99 99 VAL CG1 C 13 109.961 5.566 . . . . 211 VAL CG1 27722 7 46 . 1 1 99 99 VAL CG2 C 13 101.117 5.194 . . . . 211 VAL CG2 27722 7 47 . 1 1 100 100 ALA CB C 13 121.303 5.059 . . . . 212 ALA CB 27722 7 48 . 1 1 101 101 VAL CG1 C 13 113.930 7.001 . . . . 213 VAL CG1 27722 7 49 . 1 1 104 104 ALA CB C 13 106.389 3.734 . . . . 216 ALA CB 27722 7 50 . 1 1 106 106 LEU CD1 C 13 112.250 11.458 . . . . 218 LEU CD1 27722 7 51 . 1 1 106 106 LEU CD2 C 13 148.300 21.156 . . . . 218 LEU CD2 27722 7 52 . 1 1 107 107 LEU CD1 C 13 101.889 15.738 . . . . 219 LEU CD1 27722 7 53 . 1 1 113 113 VAL CG1 C 13 99.820 4.627 . . . . 225 VAL CG1 27722 7 54 . 1 1 113 113 VAL CG2 C 13 98.054 3.898 . . . . 225 VAL CG2 27722 7 55 . 1 1 116 116 LEU CD1 C 13 94.521 6.031 . . . . 228 LEU CD1 27722 7 56 . 1 1 116 116 LEU CD2 C 13 89.733 5.750 . . . . 228 LEU CD2 27722 7 57 . 1 1 119 119 ILE CD1 C 13 87.585 4.544 . . . . 231 ILE CD1 27722 7 58 . 1 1 119 119 ILE CG2 C 13 99.431 5.689 . . . . 231 ILE CG2 27722 7 59 . 1 1 122 122 LEU CD1 C 13 83.560 6.943 . . . . 234 LEU CD1 27722 7 60 . 1 1 122 122 LEU CD2 C 13 95.633 11.283 . . . . 234 LEU CD2 27722 7 61 . 1 1 124 124 ILE CD1 C 13 65.529 2.709 . . . . 236 ILE CD1 27722 7 62 . 1 1 124 124 ILE CG2 C 13 103.099 4.791 . . . . 236 ILE CG2 27722 7 63 . 1 1 130 130 LEU CD2 C 13 75.953 2.844 . . . . 242 LEU CD2 27722 7 64 . 1 1 133 133 ALA CB C 13 118.327 6.342 . . . . 245 ALA CB 27722 7 65 . 1 1 136 136 THR CG2 C 13 90.276 3.092 . . . . 248 THR CG2 27722 7 66 . 1 1 137 137 MET CE C 13 55.493 0.762 . . . . 249 MET CE 27722 7 67 . 1 1 138 138 ILE CD1 C 13 46.199 1.143 . . . . 250 ILE CD1 27722 7 68 . 1 1 138 138 ILE CG2 C 13 76.128 1.776 . . . . 250 ILE CG2 27722 7 stop_ save_ ###################### # Order parameters # ###################### save_Backbone_order_parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode Backbone_order_parameters _Order_parameter_list.Entry_ID 27722 _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 . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 6 '15N T1' . . . 27722 1 8 '{H}-15N NOE' . . . 27722 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 4 $Relax . . 27722 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 ILE N N 15 0.682857593005213 0.003991903786965 . . . . . . . . . . . . . . . . . . . . 115 ILE N 27722 1 2 . 1 1 4 4 VAL N N 15 0.698919861464670 0.004557178963143 . . . . . . . . . . . . . . . . . . . . 116 VAL N 27722 1 3 . 1 1 6 6 TYR N N 15 0.875833856578450 0.004772918311959 . . . . . . . . . . . . . . . . . . . . 118 TYR N 27722 1 4 . 1 1 7 7 ASN N N 15 0.868288539921500 0.019279319362193 . . . . . . . . . . . . . . . . . . . . 119 ASN N 27722 1 5 . 1 1 8 8 LEU N N 15 0.835322564687682 0.003201152774221 . . . . . . . . . . . . . . . . . . . . 120 LEU N 27722 1 6 . 1 1 10 10 LEU N N 15 0.794270736494773 0.007576833407531 . . . . . . . . . . . . . . . . . . . . 122 LEU N 27722 1 7 . 1 1 13 13 GLY N N 15 0.875066786021757 0.005057753224280 . . . . . . . . . . . . . . . . . . . . 125 GLY N 27722 1 8 . 1 1 14 14 VAL N N 15 0.790980639313377 0.006597269508829 . . . . . . . . . . . . . . . . . . . . 126 VAL N 27722 1 9 . 1 1 15 15 VAL N N 15 0.828461140609704 0.003753124419432 . . . . . . . . . . . . . . . . . . . . 127 VAL N 27722 1 10 . 1 1 17 17 ARG N N 15 0.851007081891346 0.003813324671712 . . . . . . . . . . . . . . . . . . . . 129 ARG N 27722 1 11 . 1 1 18 18 MET N N 15 0.873541557805284 0.007708339225182 . . . . . . . . . . . . . . . . . . . . 130 MET N 27722 1 12 . 1 1 19 19 LEU N N 15 0.897601511522319 0.004632652102053 . . . . . . . . . . . . . . . . . . . . 131 LEU N 27722 1 13 . 1 1 20 20 ILE N N 15 0.849869427729748 0.011224977032204 . . . . . . . . . . . . . . . . . . . . 132 ILE N 27722 1 14 . 1 1 22 22 ILE N N 15 0.854976705815462 0.004029555676609 . . . . . . . . . . . . . . . . . . . . 134 ILE N 27722 1 15 . 1 1 23 23 LEU N N 15 0.851683463231656 0.004287580805820 . . . . . . . . . . . . . . . . . . . . 135 LEU N 27722 1 16 . 1 1 24 24 GLY N N 15 0.840378336753334 0.008083012909184 . . . . . . . . . . . . . . . . . . . . 136 GLY N 27722 1 17 . 1 1 25 25 THR N N 15 0.831876383771978 0.005234302364082 . . . . . . . . . . . . . . . . . . . . 137 THR N 27722 1 18 . 1 1 27 27 LYS N N 15 0.900431471149349 0.004461256067419 . . . . . . . . . . . . . . . . . . . . 139 LYS N 27722 1 19 . 1 1 30 30 ALA N N 15 0.776780113490049 0.007066514179324 . . . . . . . . . . . . . . . . . . . . 142 ALA N 27722 1 20 . 1 1 31 31 ASN N N 15 0.819654930725363 0.005498794778995 . . . . . . . . . . . . . . . . . . . . 143 ASN N 27722 1 21 . 1 1 33 33 ILE N N 15 0.845332071241395 0.004726225672869 . . . . . . . . . . . . . . . . . . . . 145 ILE N 27722 1 22 . 1 1 34 34 ALA N N 15 0.863899403108311 0.004247866515326 . . . . . . . . . . . . . . . . . . . . 146 ALA N 27722 1 23 . 1 1 35 35 LEU N N 15 0.829837904119922 0.005536295081028 . . . . . . . . . . . . . . . . . . . . 147 LEU N 27722 1 24 . 1 1 36 36 ASP N N 15 0.806117521043386 0.004313820375920 . . . . . . . . . . . . . . . . . . . . 148 ASP N 27722 1 25 . 1 1 38 38 GLN N N 15 0.844596720790204 0.005256064390629 . . . . . . . . . . . . . . . . . . . . 150 GLN N 27722 1 26 . 1 1 39 39 ARG N N 15 0.834878997777825 0.005652169652000 . . . . . . . . . . . . . . . . . . . . 151 ARG N 27722 1 27 . 1 1 42 42 ASP N N 15 0.857663412588799 0.008042645420019 . . . . . . . . . . . . . . . . . . . . 154 ASP N 27722 1 28 . 1 1 43 43 VAL N N 15 0.851620114994402 0.006769330338961 . . . . . . . . . . . . . . . . . . . . 155 VAL N 27722 1 29 . 1 1 45 45 PHE N N 15 0.886889337887474 0.007249336041035 . . . . . . . . . . . . . . . . . . . . 157 PHE N 27722 1 30 . 1 1 46 46 HIS N N 15 0.876077338490643 0.005549622250864 . . . . . . . . . . . . . . . . . . . . 158 HIS N 27722 1 31 . 1 1 47 47 PHE N N 15 0.853092604368896 0.005008805436742 . . . . . . . . . . . . . . . . . . . . 159 PHE N 27722 1 32 . 1 1 51 51 PHE N N 15 0.862475432712989 0.005401797763754 . . . . . . . . . . . . . . . . . . . . 163 PHE N 27722 1 33 . 1 1 55 55 ASN N N 15 0.866685326142475 0.006682961768325 . . . . . . . . . . . . . . . . . . . . 167 ASN N 27722 1 34 . 1 1 56 56 ARG N N 15 0.808362085850728 0.004480689386882 . . . . . . . . . . . . . . . . . . . . 168 ARG N 27722 1 35 . 1 1 57 57 ARG N N 15 0.780093297037730 0.004735133553394 . . . . . . . . . . . . . . . . . . . . 169 ARG N 27722 1 36 . 1 1 58 58 VAL N N 15 0.869309925539232 0.005086503362457 . . . . . . . . . . . . . . . . . . . . 170 VAL N 27722 1 37 . 1 1 59 59 ILE N N 15 0.855647489978971 0.008639761988957 . . . . . . . . . . . . . . . . . . . . 171 ILE N 27722 1 38 . 1 1 60 60 VAL N N 15 0.848471891120175 0.006145761794468 . . . . . . . . . . . . . . . . . . . . 172 VAL N 27722 1 39 . 1 1 61 61 CYS N N 15 0.855384598742605 0.005532690168095 . . . . . . . . . . . . . . . . . . . . 173 CYS N 27722 1 40 . 1 1 62 62 ASN N N 15 0.861596137839903 0.005897335359470 . . . . . . . . . . . . . . . . . . . . 174 ASN N 27722 1 41 . 1 1 63 63 THR N N 15 0.810467409336360 0.007449765304354 . . . . . . . . . . . . . . . . . . . . 175 THR N 27722 1 42 . 1 1 64 64 LYS N N 15 0.873574809192124 0.004629818909772 . . . . . . . . . . . . . . . . . . . . 176 LYS N 27722 1 43 . 1 1 65 65 LEU N N 15 0.843525140204948 0.006024204076390 . . . . . . . . . . . . . . . . . . . . 177 LEU N 27722 1 44 . 1 1 66 66 ASP N N 15 0.865872367645135 0.005351712395025 . . . . . . . . . . . . . . . . . . . . 178 ASP N 27722 1 45 . 1 1 67 67 ASN N N 15 0.854085136534869 0.010345806899872 . . . . . . . . . . . . . . . . . . . . 179 ASN N 27722 1 46 . 1 1 68 68 ASN N N 15 0.814593815306550 0.004584406837657 . . . . . . . . . . . . . . . . . . . . 180 ASN N 27722 1 47 . 1 1 69 69 TRP N N 15 0.912630661245051 0.011729845371867 . . . . . . . . . . . . . . . . . . . . 181 TRP N 27722 1 48 . 1 1 70 70 GLY N N 15 0.846951343524208 0.005526369719179 . . . . . . . . . . . . . . . . . . . . 182 GLY N 27722 1 49 . 1 1 71 71 ARG N N 15 0.951886754550396 0.018562851199397 . . . . . . . . . . . . . . . . . . . . 183 ARG N 27722 1 50 . 1 1 73 73 GLU N N 15 0.827167376997207 0.008365098187839 . . . . . . . . . . . . . . . . . . . . 185 GLU N 27722 1 51 . 1 1 75 75 GLN N N 15 0.848021523198602 0.005294249045342 . . . . . . . . . . . . . . . . . . . . 187 GLN N 27722 1 52 . 1 1 77 77 VAL N N 15 0.845544276296011 0.007269599553691 . . . . . . . . . . . . . . . . . . . . 189 VAL N 27722 1 53 . 1 1 78 78 PHE N N 15 0.919271381189145 0.011738867249237 . . . . . . . . . . . . . . . . . . . . 190 PHE N 27722 1 54 . 1 1 80 80 PHE N N 15 0.656002238466075 0.008134608155826 . . . . . . . . . . . . . . . . . . . . 192 PHE N 27722 1 55 . 1 1 82 82 SER N N 15 0.831184062048972 0.016591142154315 . . . . . . . . . . . . . . . . . . . . 194 SER N 27722 1 56 . 1 1 83 83 GLY N N 15 0.839477460077122 0.003623984192014 . . . . . . . . . . . . . . . . . . . . 195 GLY N 27722 1 57 . 1 1 84 84 LYS N N 15 0.834890700990318 0.009422574665516 . . . . . . . . . . . . . . . . . . . . 196 LYS N 27722 1 58 . 1 1 86 86 PHE N N 15 0.832689971189828 0.008658291095951 . . . . . . . . . . . . . . . . . . . . 198 PHE N 27722 1 59 . 1 1 87 87 LYS N N 15 0.852979030062827 0.004437101035904 . . . . . . . . . . . . . . . . . . . . 199 LYS N 27722 1 60 . 1 1 88 88 ILE N N 15 0.832967932675847 0.003291597963610 . . . . . . . . . . . . . . . . . . . . 200 ILE N 27722 1 61 . 1 1 90 90 VAL N N 15 0.811873288421524 0.003485057777756 . . . . . . . . . . . . . . . . . . . . 202 VAL N 27722 1 62 . 1 1 91 91 LEU N N 15 0.847185866105081 0.008401281978390 . . . . . . . . . . . . . . . . . . . . 203 LEU N 27722 1 63 . 1 1 92 92 VAL N N 15 0.879034363482759 0.003217518563177 . . . . . . . . . . . . . . . . . . . . 204 VAL N 27722 1 64 . 1 1 95 95 ASP N N 15 0.919740121269578 0.020515694742948 . . . . . . . . . . . . . . . . . . . . 207 ASP N 27722 1 65 . 1 1 96 96 HIS N N 15 0.887375068410230 0.005998771352985 . . . . . . . . . . . . . . . . . . . . 208 HIS N 27722 1 66 . 1 1 97 97 PHE N N 15 0.853189678059082 0.006589883625051 . . . . . . . . . . . . . . . . . . . . 209 PHE N 27722 1 67 . 1 1 98 98 LYS N N 15 0.841170445104149 0.006406251691166 . . . . . . . . . . . . . . . . . . . . 210 LYS N 27722 1 68 . 1 1 100 100 ALA N N 15 0.877983563312906 0.003767214514359 . . . . . . . . . . . . . . . . . . . . 212 ALA N 27722 1 69 . 1 1 101 101 VAL N N 15 0.830320944319379 0.004915476397632 . . . . . . . . . . . . . . . . . . . . 213 VAL N 27722 1 70 . 1 1 102 102 ASN N N 15 0.881629364779228 0.005363879304341 . . . . . . . . . . . . . . . . . . . . 214 ASN N 27722 1 71 . 1 1 103 103 ASP N N 15 0.880331737610137 0.009519440447275 . . . . . . . . . . . . . . . . . . . . 215 ASP N 27722 1 72 . 1 1 104 104 ALA N N 15 0.834914267587529 0.004031568595105 . . . . . . . . . . . . . . . . . . . . 216 ALA N 27722 1 73 . 1 1 107 107 LEU N N 15 0.900328565730723 0.006135090967354 . . . . . . . . . . . . . . . . . . . . 219 LEU N 27722 1 74 . 1 1 108 108 GLN N N 15 0.870673985507095 0.005227303925832 . . . . . . . . . . . . . . . . . . . . 220 GLN N 27722 1 75 . 1 1 110 110 ASN N N 15 0.864080569466408 0.007308531331771 . . . . . . . . . . . . . . . . . . . . 222 ASN N 27722 1 76 . 1 1 111 111 HIS N N 15 0.855828904207490 0.007097883096082 . . . . . . . . . . . . . . . . . . . . 223 HIS N 27722 1 77 . 1 1 112 112 ARG N N 15 0.795364242822236 0.011248413857139 . . . . . . . . . . . . . . . . . . . . 224 ARG N 27722 1 78 . 1 1 113 113 VAL N N 15 0.741629890105913 0.005435301075211 . . . . . . . . . . . . . . . . . . . . 225 VAL N 27722 1 79 . 1 1 115 115 LYS N N 15 0.783538889974128 0.025554491713871 . . . . . . . . . . . . . . . . . . . . 227 LYS N 27722 1 80 . 1 1 116 116 LEU N N 15 0.860859996286293 0.004066028208833 . . . . . . . . . . . . . . . . . . . . 228 LEU N 27722 1 81 . 1 1 117 117 ASN N N 15 0.914272093272149 0.011195814207812 . . . . . . . . . . . . . . . . . . . . 229 ASN N 27722 1 82 . 1 1 118 118 GLU N N 15 0.869680194103664 0.004505480016970 . . . . . . . . . . . . . . . . . . . . 230 GLU N 27722 1 83 . 1 1 119 119 ILE N N 15 0.872265672003952 0.005066566764855 . . . . . . . . . . . . . . . . . . . . 231 ILE N 27722 1 84 . 1 1 120 120 SER N N 15 0.757028672895562 0.004798569910660 . . . . . . . . . . . . . . . . . . . . 232 SER N 27722 1 85 . 1 1 121 121 LYS N N 15 0.913700566397713 0.007692611261515 . . . . . . . . . . . . . . . . . . . . 233 LYS N 27722 1 86 . 1 1 122 122 LEU N N 15 0.831983404288709 0.003734052833325 . . . . . . . . . . . . . . . . . . . . 234 LEU N 27722 1 87 . 1 1 123 123 GLY N N 15 0.859322578408661 0.004589587988023 . . . . . . . . . . . . . . . . . . . . 235 GLY N 27722 1 88 . 1 1 124 124 ILE N N 15 0.836695593671115 0.004465836634514 . . . . . . . . . . . . . . . . . . . . 236 ILE N 27722 1 89 . 1 1 126 126 GLY N N 15 0.859806319597199 0.005687889447257 . . . . . . . . . . . . . . . . . . . . 238 GLY N 27722 1 90 . 1 1 127 127 ASP N N 15 0.836440098384486 0.003660930501199 . . . . . . . . . . . . . . . . . . . . 239 ASP N 27722 1 91 . 1 1 128 128 ILE N N 15 0.874066967125211 0.003539084488252 . . . . . . . . . . . . . . . . . . . . 240 ILE N 27722 1 92 . 1 1 129 129 ASP N N 15 0.838160543330200 0.003208822661210 . . . . . . . . . . . . . . . . . . . . 241 ASP N 27722 1 93 . 1 1 130 130 LEU N N 15 0.822142371883189 0.007170051642856 . . . . . . . . . . . . . . . . . . . . 242 LEU N 27722 1 94 . 1 1 131 131 THR N N 15 0.885257056455660 0.004428343158230 . . . . . . . . . . . . . . . . . . . . 243 THR N 27722 1 95 . 1 1 132 132 SER N N 15 0.843887631480744 0.004808525340166 . . . . . . . . . . . . . . . . . . . . 244 SER N 27722 1 96 . 1 1 133 133 ALA N N 15 0.880658056182737 0.003893498796908 . . . . . . . . . . . . . . . . . . . . 245 ALA N 27722 1 97 . 1 1 134 134 SER N N 15 0.841264985353673 0.004065869739751 . . . . . . . . . . . . . . . . . . . . 246 SER N 27722 1 98 . 1 1 135 135 TYR N N 15 0.866558537060611 0.004190318590506 . . . . . . . . . . . . . . . . . . . . 247 TYR N 27722 1 99 . 1 1 136 136 THR N N 15 0.857417821155774 0.004868097587364 . . . . . . . . . . . . . . . . . . . . 248 THR N 27722 1 100 . 1 1 137 137 MET N N 15 0.818823035396000 0.006716122914697 . . . . . . . . . . . . . . . . . . . . 249 MET N 27722 1 101 . 1 1 138 138 ILE N N 15 0.805629855968173 0.006320684491715 . . . . . . . . . . . . . . . . . . . . 250 ILE N 27722 1 stop_ save_ save_side-chain_order_parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode side-chain_order_parameters _Order_parameter_list.Entry_ID 27722 _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 . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 6 '15N T1' . . . 27722 2 7 '15N T2' . . . 27722 2 8 '{H}-15N NOE' . . . 27722 2 9 R1(Dz) . . . 27722 2 10 R(3Dz-2) . . . 27722 2 11 R2(D+) . . . 27722 2 12 'R(D-Dz + DzD+)' . . . 27722 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 4 $Relax . . 27722 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 2 2 LEU CD1 C 13 0.501 0.019 . . . . . . . . . . . . . . . . . . . . 114 LEU CD1 27722 2 2 . 1 1 2 2 LEU CD2 C 13 0.477 0.012 . . . . . . . . . . . . . . . . . . . . 114 LEU CD2 27722 2 3 . 1 1 3 3 ILE CD1 C 13 0.294 0.014 . . . . . . . . . . . . . . . . . . . . 115 ILE CD1 27722 2 4 . 1 1 3 3 ILE CG2 C 13 0.587 0.036 . . . . . . . . . . . . . . . . . . . . 115 ILE CG2 27722 2 5 . 1 1 4 4 VAL CG2 C 13 0.666 0.039 . . . . . . . . . . . . . . . . . . . . 116 VAL CG2 27722 2 6 . 1 1 8 8 LEU CD1 C 13 0.716 0.061 . . . . . . . . . . . . . . . . . . . . 120 LEU CD1 27722 2 7 . 1 1 8 8 LEU CD2 C 13 0.652 0.040 . . . . . . . . . . . . . . . . . . . . 120 LEU CD2 27722 2 8 . 1 1 10 10 LEU CD1 C 13 0.663 0.046 . . . . . . . . . . . . . . . . . . . . 122 LEU CD1 27722 2 9 . 1 1 14 14 VAL CG1 C 13 0.769 0.053 . . . . . . . . . . . . . . . . . . . . 126 VAL CG1 27722 2 10 . 1 1 14 14 VAL CG2 C 13 0.765 0.044 . . . . . . . . . . . . . . . . . . . . 126 VAL CG2 27722 2 11 . 1 1 15 15 VAL CG2 C 13 0.521 0.073 . . . . . . . . . . . . . . . . . . . . 127 VAL CG2 27722 2 12 . 1 1 18 18 MET CE C 13 0.454 0.004 . . . . . . . . . . . . . . . . . . . . 130 MET CE 27722 2 13 . 1 1 19 19 LEU CD1 C 13 0.727 0.114 . . . . . . . . . . . . . . . . . . . . 131 LEU CD1 27722 2 14 . 1 1 19 19 LEU CD2 C 13 0.538 0.017 . . . . . . . . . . . . . . . . . . . . 131 LEU CD2 27722 2 15 . 1 1 20 20 ILE CD1 C 13 0.337 0.010 . . . . . . . . . . . . . . . . . . . . 132 ILE CD1 27722 2 16 . 1 1 21 21 THR CG2 C 13 0.827 0.040 . . . . . . . . . . . . . . . . . . . . 133 THR CG2 27722 2 17 . 1 1 23 23 LEU CD2 C 13 0.314 0.010 . . . . . . . . . . . . . . . . . . . . 135 LEU CD2 27722 2 18 . 1 1 25 25 THR CG2 C 13 0.500 0.021 . . . . . . . . . . . . . . . . . . . . 137 THR CG2 27722 2 19 . 1 1 26 26 VAL CG2 C 13 0.801 0.040 . . . . . . . . . . . . . . . . . . . . 138 VAL CG2 27722 2 20 . 1 1 30 30 ALA CB C 13 0.881 0.057 . . . . . . . . . . . . . . . . . . . . 142 ALA CB 27722 2 21 . 1 1 33 33 ILE CD1 C 13 0.855 0.040 . . . . . . . . . . . . . . . . . . . . 145 ILE CD1 27722 2 22 . 1 1 33 33 ILE CG2 C 13 0.709 0.026 . . . . . . . . . . . . . . . . . . . . 145 ILE CG2 27722 2 23 . 1 1 35 35 LEU CD1 C 13 0.231 0.015 . . . . . . . . . . . . . . . . . . . . 147 LEU CD1 27722 2 24 . 1 1 35 35 LEU CD2 C 13 0.279 0.020 . . . . . . . . . . . . . . . . . . . . 147 LEU CD2 27722 2 25 . 1 1 43 43 VAL CG1 C 13 0.825 0.030 . . . . . . . . . . . . . . . . . . . . 155 VAL CG1 27722 2 26 . 1 1 43 43 VAL CG2 C 13 0.856 0.075 . . . . . . . . . . . . . . . . . . . . 155 VAL CG2 27722 2 27 . 1 1 44 44 ALA CB C 13 0.922 0.083 . . . . . . . . . . . . . . . . . . . . 156 ALA CB 27722 2 28 . 1 1 58 58 VAL CG1 C 13 0.384 0.026 . . . . . . . . . . . . . . . . . . . . 170 VAL CG1 27722 2 29 . 1 1 58 58 VAL CG2 C 13 0.508 0.036 . . . . . . . . . . . . . . . . . . . . 170 VAL CG2 27722 2 30 . 1 1 59 59 ILE CG2 C 13 0.839 0.027 . . . . . . . . . . . . . . . . . . . . 171 ILE CG2 27722 2 31 . 1 1 60 60 VAL CG1 C 13 0.87 0.054 . . . . . . . . . . . . . . . . . . . . 172 VAL CG1 27722 2 32 . 1 1 60 60 VAL CG2 C 13 0.783 0.065 . . . . . . . . . . . . . . . . . . . . 172 VAL CG2 27722 2 33 . 1 1 63 63 THR CG2 C 13 0.894 0.054 . . . . . . . . . . . . . . . . . . . . 175 THR CG2 27722 2 34 . 1 1 77 77 VAL CG1 C 13 0.657 0.021 . . . . . . . . . . . . . . . . . . . . 189 VAL CG1 27722 2 35 . 1 1 77 77 VAL CG2 C 13 0.888 0.051 . . . . . . . . . . . . . . . . . . . . 189 VAL CG2 27722 2 36 . 1 1 88 88 ILE CG2 C 13 0.803 0.023 . . . . . . . . . . . . . . . . . . . . 200 ILE CG2 27722 2 37 . 1 1 91 91 LEU CD1 C 13 0.589 0.021 . . . . . . . . . . . . . . . . . . . . 203 LEU CD1 27722 2 38 . 1 1 91 91 LEU CD2 C 13 0.623 0.037 . . . . . . . . . . . . . . . . . . . . 203 LEU CD2 27722 2 39 . 1 1 92 92 VAL CG1 C 13 0.901 0.039 . . . . . . . . . . . . . . . . . . . . 204 VAL CG1 27722 2 40 . 1 1 92 92 VAL CG2 C 13 0.877 0.032 . . . . . . . . . . . . . . . . . . . . 204 VAL CG2 27722 2 41 . 1 1 99 99 VAL CG1 C 13 0.848 0.034 . . . . . . . . . . . . . . . . . . . . 211 VAL CG1 27722 2 42 . 1 1 99 99 VAL CG2 C 13 0.845 0.033 . . . . . . . . . . . . . . . . . . . . 211 VAL CG2 27722 2 43 . 1 1 100 100 ALA CB C 13 0.948 0.031 . . . . . . . . . . . . . . . . . . . . 212 ALA CB 27722 2 44 . 1 1 101 101 VAL CG1 C 15 0.806 0.050 . . . . . . . . . . . . . . . . . . . . 213 VAL CG1 27722 2 45 . 1 1 104 104 ALA CB C 15 0.817 0.023 . . . . . . . . . . . . . . . . . . . . 216 ALA CB 27722 2 46 . 1 1 106 106 LEU CD1 C 15 0.950 0.070 . . . . . . . . . . . . . . . . . . . . 218 LEU CD1 27722 2 47 . 1 1 113 113 VAL CG1 C 15 0.765 0.033 . . . . . . . . . . . . . . . . . . . . 225 VAL CG1 27722 2 48 . 1 1 113 113 VAL CG2 C 15 0.834 0.025 . . . . . . . . . . . . . . . . . . . . 225 VAL CG2 27722 2 49 . 1 1 116 116 LEU CD1 C 13 0.719 0.047 . . . . . . . . . . . . . . . . . . . . 228 LEU CD1 27722 2 50 . 1 1 116 116 LEU CD2 C 13 0.548 0.039 . . . . . . . . . . . . . . . . . . . . 228 LEU CD2 27722 2 51 . 1 1 119 119 ILE CD1 C 13 0.658 0.027 . . . . . . . . . . . . . . . . . . . . 231 ILE CD1 27722 2 52 . 1 1 119 119 ILE CG2 C 13 0.812 0.032 . . . . . . . . . . . . . . . . . . . . 231 ILE CG2 27722 2 53 . 1 1 122 122 LEU CD1 C 13 0.67 0.049 . . . . . . . . . . . . . . . . . . . . 234 LEU CD1 27722 2 54 . 1 1 122 122 LEU CD2 C 13 0.719 0.079 . . . . . . . . . . . . . . . . . . . . 234 LEU CD2 27722 2 55 . 1 1 124 124 ILE CD1 C 13 0.505 0.016 . . . . . . . . . . . . . . . . . . . . 236 ILE CD1 27722 2 56 . 1 1 124 124 ILE CG2 C 13 0.865 0.030 . . . . . . . . . . . . . . . . . . . . 236 ILE CG2 27722 2 57 . 1 1 130 130 LEU CD2 C 13 0.378 0.014 . . . . . . . . . . . . . . . . . . . . 242 LEU CD2 27722 2 58 . 1 1 133 133 ALA CB C 13 0.827 0.056 . . . . . . . . . . . . . . . . . . . . 245 ALA CB 27722 2 59 . 1 1 136 136 THR CG2 C 13 0.604 0.022 . . . . . . . . . . . . . . . . . . . . 248 THR CG2 27722 2 60 . 1 1 137 137 MET CE C 13 0.512 0.011 . . . . . . . . . . . . . . . . . . . . 249 MET CE 27722 2 61 . 1 1 138 138 ILE CD1 C 13 0.436 0.021 . . . . . . . . . . . . . . . . . . . . 250 ILE CD1 27722 2 62 . 1 1 138 138 ILE CG2 C 13 0.534 0.012 . . . . . . . . . . . . . . . . . . . . 250 ILE CG2 27722 2 63 . 1 1 17 17 ARG NE N 15 0.478 0.015 . . . . . . . . . . . . . . . . . . . . 129 ARG NE 27722 2 64 . 1 1 50 50 ARG NE N 15 0.788 0.009 . . . . . . . . . . . . . . . . . . . . 162 ARG NE 27722 2 65 . 1 1 56 56 ARG NE N 15 0.664 0.010 . . . . . . . . . . . . . . . . . . . . 168 ARG NE 27722 2 66 . 1 1 74 74 ARG NE N 15 0.795 0.010 . . . . . . . . . . . . . . . . . . . . 186 ARG NE 27722 2 67 . 1 1 112 112 ARG NE N 15 0.838 0.011 . . . . . . . . . . . . . . . . . . . . 224 ARG NE 27722 2 stop_ save_