data_7288 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7288 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Dimer of transmembrane domain of pro-apoptotic protein BNIP3' 'Structure analysis' 'This data were used to determine the structure of TM BNIP3 dimer' 7288 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . apoptosis 7288 1 . BNIP3 7288 1 . dynamics 7288 1 . structure 7288 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7288 _Entry.Title ; 1H, 13C, 15N Chemical Shift Assignments and 15N Relaxation Data for Transmembrane Domain of BNIP3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-04 _Entry.Accession_date 2006-09-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Julia Pustovalova . E. . 7288 2 Eduard Bocharov . V. . 7288 3 Innokenty Maslennikov . V. . 7288 4 Yaroslav Ermolyuk . S. . 7288 5 Marina Goncharuk . V. . 7288 6 Alexander Arseniev . S. . 7288 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Shemyakin-Ovchinnikov institute of bioorganic chemistry' . 7288 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7288 heteronucl_NOEs 1 7288 heteronucl_T1_relaxation 1 7288 heteronucl_T2_relaxation 1 7288 H_exch_rates 1 7288 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 114 7288 '15N chemical shifts' 45 7288 '1H chemical shifts' 323 7288 'heteronuclear NOE values' 38 7288 'H exchange rates' 44 7288 'T1 relaxation values' 38 7288 'T2 relaxation values' 38 7288 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 . . 2008-07-17 2006-09-04 update BMRB 'complete entry citation' 7288 1 . . 2007-05-10 2006-09-04 original author 'original release' 7288 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2J5D 'BMRB Entry Tracking System' 7288 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7288 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17412696 _Citation.Full_citation . _Citation.Title 'Unique dimeric structure of BNip3 transmembrane domain suggests membrane permeabilization as a cell death trigger.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 16256 _Citation.Page_last 16266 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eduard Bocharov . V. . 7288 1 2 Yulia Pustovalova . E. . 7288 1 3 Konstantin Pavlov . V. . 7288 1 4 Pavel Volynsky . E. . 7288 1 5 Marina Goncharuk . V. . 7288 1 6 Yaroslav Ermolyuk . S. . 7288 1 7 Dmitry Karpunin . V. . 7288 1 8 Alexey Schulga . A. . 7288 1 9 Michail Kirpichnikov . P. . 7288 1 10 Roman Efremov . G. . 7288 1 11 Innokenty Maslennikov . V. . 7288 1 12 Alexander Arseniev . S. . 7288 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID apoptotic 7288 1 BNIP3 7288 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7288 _Assembly.ID 1 _Assembly.Name 'BNIP3 TM dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 4950 _Assembly.Enzyme_commission_number . _Assembly.Details homodimer _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 'monomer 1' 1 $BNIP3_TM . . yes native no no . . . 7288 1 2 'monomer 2' 1 $BNIP3_TM . . yes native no no . . . 7288 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BNIP3_TM _Entity.Sf_category entity _Entity.Sf_framecode BNIP3_TM _Entity.Entry_ID 7288 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'BNIP3 TM' _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 ; RNTSVMKKGGIFSAEFLKVF LPSLLLSHLLAIGLGIYIGR RLTTS ; _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 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16012 . Bcl2/Adenovirus_E1B_19_kDa_protein-interacting_protein_3 . . . . . 77.78 35 100.00 100.00 2.10e-05 . . . . 7288 1 2 no PDB 2J5D . "Nmr Structure Of Bnip3 Transmembrane Domain In Lipid Bicelles" . . . . . 100.00 45 100.00 100.00 2.69e-21 . . . . 7288 1 3 no PDB 2KA1 . "Solution Nmr Structure Of Bnip3 Transmembrane Peptide Dimer In Detergent Micelles" . . . . . 77.78 35 100.00 100.00 2.10e-05 . . . . 7288 1 4 no PDB 2KA2 . "Solution Nmr Structure Of Bnip3 Transmembrane Peptide Dimer In Detergent Micelles With His173-Ser172 Intermonomer Hydrogen Bond" . . . . . 77.78 35 100.00 100.00 2.10e-05 . . . . 7288 1 5 no DBJ BAB29214 . "unnamed protein product [Mus musculus]" . . . . . 100.00 187 97.78 100.00 1.71e-20 . . . . 7288 1 6 no DBJ BAC36072 . "unnamed protein product [Mus musculus]" . . . . . 100.00 187 97.78 100.00 1.71e-20 . . . . 7288 1 7 no DBJ BAD96346 . "BCL2/adenovirus E1B 19kD-interacting protein 3 variant [Homo sapiens]" . . . . . 100.00 194 97.78 100.00 2.74e-21 . . . . 7288 1 8 no DBJ BAE31356 . "unnamed protein product [Mus musculus]" . . . . . 100.00 187 97.78 100.00 1.71e-20 . . . . 7288 1 9 no DBJ BAG58159 . "unnamed protein product [Homo sapiens]" . . . . . 77.78 180 100.00 100.00 1.19e-05 . . . . 7288 1 10 no EMBL CAX36485 . "BNIP3 protein [Spalax judaei]" . . . . . 100.00 193 97.78 100.00 6.05e-21 . . . . 7288 1 11 no GB AAC00022 . "BCL2/adenovirus E1B 19kD-interacting protein 3 [Homo sapiens]" . . . . . 100.00 194 100.00 100.00 7.00e-22 . . . . 7288 1 12 no GB AAC16738 . "E1B 19K/Bcl-2-binding protein Nip3 [Homo sapiens]" . . . . . 100.00 194 100.00 100.00 7.00e-22 . . . . 7288 1 13 no GB AAD02922 . "E1B 19K/Bcl-2-binding protein homolog [Mus musculus]" . . . . . 100.00 187 97.78 100.00 1.71e-20 . . . . 7288 1 14 no GB AAF98317 . "BCL2/adenovirus E1B 19 kDa-interacting protein 3 [Rattus norvegicus]" . . . . . 100.00 187 97.78 100.00 1.76e-20 . . . . 7288 1 15 no GB AAH21989 . "BCL2/adenovirus E1B 19kDa interacting protein 3 [Homo sapiens]" . . . . . 100.00 194 100.00 100.00 7.00e-22 . . . . 7288 1 16 no REF NP_001015859 . "BCL2/adenovirus E1B 19kDa interacting protein 3 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 202 97.78 100.00 1.38e-21 . . . . 7288 1 17 no REF NP_001069834 . "BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Bos taurus]" . . . . . 100.00 196 100.00 100.00 1.56e-21 . . . . 7288 1 18 no REF NP_001083178 . "BCL2/adenovirus E1B 19kDa interacting protein 3 [Xenopus laevis]" . . . . . 100.00 202 97.78 100.00 1.38e-21 . . . . 7288 1 19 no REF NP_004043 . "BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Homo sapiens]" . . . . . 100.00 259 100.00 100.00 1.78e-21 . . . . 7288 1 20 no REF NP_033890 . "BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Mus musculus]" . . . . . 100.00 187 97.78 100.00 1.71e-20 . . . . 7288 1 21 no SP O55003 . "RecName: Full=BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Mus musculus]" . . . . . 100.00 187 97.78 100.00 1.71e-20 . . . . 7288 1 22 no SP Q12983 . "RecName: Full=BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Homo sapiens]" . . . . . 100.00 194 100.00 100.00 7.00e-22 . . . . 7288 1 23 no SP Q32KN2 . "RecName: Full=BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Bos taurus]" . . . . . 100.00 196 100.00 100.00 1.56e-21 . . . . 7288 1 24 no TPG DAA14630 . "TPA: BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Bos taurus]" . . . . . 73.33 180 100.00 100.00 2.96e-04 . . . . 7288 1 stop_ 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 1 146 ARG . 7288 1 2 147 ASN . 7288 1 3 148 THR . 7288 1 4 149 SER . 7288 1 5 150 VAL . 7288 1 6 151 MET . 7288 1 7 152 LYS . 7288 1 8 153 LYS . 7288 1 9 154 GLY . 7288 1 10 155 GLY . 7288 1 11 156 ILE . 7288 1 12 157 PHE . 7288 1 13 158 SER . 7288 1 14 159 ALA . 7288 1 15 160 GLU . 7288 1 16 161 PHE . 7288 1 17 162 LEU . 7288 1 18 163 LYS . 7288 1 19 164 VAL . 7288 1 20 165 PHE . 7288 1 21 166 LEU . 7288 1 22 167 PRO . 7288 1 23 168 SER . 7288 1 24 169 LEU . 7288 1 25 170 LEU . 7288 1 26 171 LEU . 7288 1 27 172 SER . 7288 1 28 173 HIS . 7288 1 29 174 LEU . 7288 1 30 175 LEU . 7288 1 31 176 ALA . 7288 1 32 177 ILE . 7288 1 33 178 GLY . 7288 1 34 179 LEU . 7288 1 35 180 GLY . 7288 1 36 181 ILE . 7288 1 37 182 TYR . 7288 1 38 183 ILE . 7288 1 39 184 GLY . 7288 1 40 185 ARG . 7288 1 41 186 ARG . 7288 1 42 187 LEU . 7288 1 43 188 THR . 7288 1 44 189 THR . 7288 1 45 190 SER . 7288 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 . ARG 1 1 7288 1 . ASN 2 2 7288 1 . THR 3 3 7288 1 . SER 4 4 7288 1 . VAL 5 5 7288 1 . MET 6 6 7288 1 . LYS 7 7 7288 1 . LYS 8 8 7288 1 . GLY 9 9 7288 1 . GLY 10 10 7288 1 . ILE 11 11 7288 1 . PHE 12 12 7288 1 . SER 13 13 7288 1 . ALA 14 14 7288 1 . GLU 15 15 7288 1 . PHE 16 16 7288 1 . LEU 17 17 7288 1 . LYS 18 18 7288 1 . VAL 19 19 7288 1 . PHE 20 20 7288 1 . LEU 21 21 7288 1 . PRO 22 22 7288 1 . SER 23 23 7288 1 . LEU 24 24 7288 1 . LEU 25 25 7288 1 . LEU 26 26 7288 1 . SER 27 27 7288 1 . HIS 28 28 7288 1 . LEU 29 29 7288 1 . LEU 30 30 7288 1 . ALA 31 31 7288 1 . ILE 32 32 7288 1 . GLY 33 33 7288 1 . LEU 34 34 7288 1 . GLY 35 35 7288 1 . ILE 36 36 7288 1 . TYR 37 37 7288 1 . ILE 38 38 7288 1 . GLY 39 39 7288 1 . ARG 40 40 7288 1 . ARG 41 41 7288 1 . LEU 42 42 7288 1 . THR 43 43 7288 1 . THR 44 44 7288 1 . SER 45 45 7288 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 7288 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BNIP3_TM . 9606 organism no 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7288 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 7288 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BNIP3_TM . 'recombinant technology' . 'E. coli' BL21(DE3)pLysS . . . . . . . . . . . . . . . . . . . . . . . . . . 7288 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_cn_labelled _Sample.Sf_category sample _Sample.Sf_framecode cn_labelled _Sample.Entry_ID 7288 _Sample.ID 1 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'peptide in lipid bicelles (DHPC/DMPC)' _Sample.Aggregate_sample_number 6 _Sample.Solvent_system . _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 'BNIP3 TM' '[U-95% 13C; U-95% 15N]' . . 1 $BNIP3_TM . protein 1.38 0.70 1.40 mM 0.02 . . . 7288 1 2 DHPC . . . . . . lipid 44.13 30.90 44.13 mM 0.02 . . . 7288 1 3 DMPC . . . . . . lipid 11.03 19.25 11.03 mM 0.02 . . . 7288 1 4 'Acetic buffer' . . . . . . buffer 20 . . mM . . . . 7288 1 5 NaN3 . . . . . . 'antimicrobial agent' 1.5 . . mM . . . . 7288 1 6 EDTA . . . . . . 'chelating agent' 1 . . mM . . . . 7288 1 stop_ save_ save_n_labelled _Sample.Sf_category sample _Sample.Sf_framecode n_labelled _Sample.Entry_ID 7288 _Sample.ID 2 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'peptide in lipid bicelles (DHPC/DMPC)' _Sample.Aggregate_sample_number 6 _Sample.Solvent_system . _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 'BNIP3 TM' '[U-95% 15N]' . . 1 $BNIP3_TM . protein 1.38 0.70 1.40 mM 0.02 . . . 7288 2 2 DHPC . . . . . . lipid 44.13 30.90 44.13 mM 0.02 . . . 7288 2 3 DMPC . . . . . . lipid 11.03 19.25 11.03 mM 0.02 . . . 7288 2 4 'Acetic buffer' . . . . . . buffer 20 . . mM . . . . 7288 2 5 NaN3 . . . . . . 'antimicrobial agent' 1.5 . . mM . . . . 7288 2 6 EDTA . . . . . . 'chelating agent' 1 . . mM . . . . 7288 2 stop_ save_ save_heterodimer _Sample.Sf_category sample _Sample.Sf_framecode heterodimer _Sample.Entry_ID 7288 _Sample.ID 3 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'peptide in lipid bicelles (DHPC/DMPC)' _Sample.Aggregate_sample_number 6 _Sample.Solvent_system . _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 'BNIP3 TM' '[U-95% 13C; U-95% 15N]' . . 1 $BNIP3_TM . protein 0.69 . . mM 0.02 . . . 7288 3 2 DHPC . . . . . . lipid 44.13 30.90 44.13 mM 0.02 . . . 7288 3 3 DMPC . . . . . . lipid 11.03 19.25 11.03 mM 0.02 . . . 7288 3 4 'Acetic buffer' . . . . . . buffer 20 . . mM . . . . 7288 3 5 NaN3 . . . . . . 'antimicrobial agent' 1.5 . . mM . . . . 7288 3 6 EDTA . . . . . . 'chelating agent' 1 . . mM . . . . 7288 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7288 _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 pH 5.10 0.05 pH 7288 1 temperature 313 2 K 7288 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7288 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7288 _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 '1H15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7288 1 2 '3D 15N-NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7288 1 3 '1H13C HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7288 1 4 '3D 13C-NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7288 1 5 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7288 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7288 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-NOESY _NMR_spec_expt.Entry_ID 7288 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_HSQC _NMR_spec_expt.Entry_ID 7288 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-NOESY _NMR_spec_expt.Entry_ID 7288 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 13C-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7288 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7288 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7288 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7288 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7288 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7288 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 . _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 '1H15N HSQC' 2 $n_labelled isotropic 7288 1 2 '3D 15N-NOESY' 2 $n_labelled isotropic 7288 1 3 '1H13C HSQC' 1 $cn_labelled isotropic 7288 1 4 '3D 13C-NOESY' 1 $cn_labelled isotropic 7288 1 5 HCCH-TOCSY 1 $cn_labelled isotropic 7288 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.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 1 1 ARG HA H 1 4.09 0.02 . 1 . . . . 146 ARG HA . 7288 1 2 . 1 1 1 1 ARG HB2 H 1 1.92 0.02 . 1 . . . . 146 ARG HB2 . 7288 1 3 . 1 1 1 1 ARG HB3 H 1 1.92 0.02 . 1 . . . . 146 ARG HB3 . 7288 1 4 . 1 1 1 1 ARG HG2 H 1 1.65 0.02 . 1 . . . . 146 ARG HG2 . 7288 1 5 . 1 1 1 1 ARG HG3 H 1 1.65 0.02 . 1 . . . . 146 ARG HG3 . 7288 1 6 . 1 1 1 1 ARG HD2 H 1 3.23 0.02 . 1 . . . . 146 ARG HD2 . 7288 1 7 . 1 1 1 1 ARG HD3 H 1 3.23 0.02 . 1 . . . . 146 ARG HD3 . 7288 1 8 . 1 1 1 1 ARG CA C 13 53.9 0.2 . 1 . . . . 146 ARG CA . 7288 1 9 . 1 1 1 1 ARG CB C 13 28.9 0.2 . 1 . . . . 146 ARG CB . 7288 1 10 . 1 1 1 1 ARG CG C 13 24.4 0.2 . 1 . . . . 146 ARG CG . 7288 1 11 . 1 1 1 1 ARG CD C 13 41.5 0.2 . 1 . . . . 146 ARG CD . 7288 1 12 . 1 1 2 2 ASN HA H 1 4.88 0.02 . 1 . . . . 147 ASN HA . 7288 1 13 . 1 1 2 2 ASN HB2 H 1 2.81 0.02 . 2 . . . . 147 ASN HB2 . 7288 1 14 . 1 1 2 2 ASN HB3 H 1 2.90 0.02 . 2 . . . . 147 ASN HB3 . 7288 1 15 . 1 1 2 2 ASN HD21 H 1 6.95 0.02 . 2 . . . . 147 ASN HD21 . 7288 1 16 . 1 1 2 2 ASN HD22 H 1 7.61 0.02 . 2 . . . . 147 ASN HD22 . 7288 1 17 . 1 1 2 2 ASN CA C 13 51.2 0.2 . 1 . . . . 147 ASN CA . 7288 1 18 . 1 1 2 2 ASN CB C 13 36.9 0.2 . 1 . . . . 147 ASN CB . 7288 1 19 . 1 1 2 2 ASN ND2 N 15 111.5 0.2 . 1 . . . . 147 ASN ND2 . 7288 1 20 . 1 1 3 3 THR H H 1 8.31 0.02 . 1 . . . . 148 THR HN . 7288 1 21 . 1 1 3 3 THR HA H 1 4.39 0.02 . 1 . . . . 148 THR HA . 7288 1 22 . 1 1 3 3 THR HB H 1 4.29 0.02 . 1 . . . . 148 THR HB . 7288 1 23 . 1 1 3 3 THR HG21 H 1 1.18 0.02 . 1 . . . . 148 THR HG2 . 7288 1 24 . 1 1 3 3 THR HG22 H 1 1.18 0.02 . 1 . . . . 148 THR HG2 . 7288 1 25 . 1 1 3 3 THR HG23 H 1 1.18 0.02 . 1 . . . . 148 THR HG2 . 7288 1 26 . 1 1 3 3 THR CA C 13 59.9 0.2 . 1 . . . . 148 THR CA . 7288 1 27 . 1 1 3 3 THR N N 15 113.0 0.2 . 1 . . . . 148 THR N . 7288 1 28 . 1 1 4 4 SER H H 1 8.32 0.02 . 1 . . . . 149 SER HN . 7288 1 29 . 1 1 4 4 SER HA H 1 4.53 0.02 . 1 . . . . 149 SER HA . 7288 1 30 . 1 1 4 4 SER HB2 H 1 3.90 0.02 . 1 . . . . 149 SER HB2 . 7288 1 31 . 1 1 4 4 SER HB3 H 1 3.90 0.02 . 1 . . . . 149 SER HB3 . 7288 1 32 . 1 1 4 4 SER CA C 13 56.7 0.2 . 1 . . . . 149 SER CA . 7288 1 33 . 1 1 4 4 SER CB C 13 61.9 0.2 . 1 . . . . 149 SER CB . 7288 1 34 . 1 1 4 4 SER N N 15 116.0 0.2 . 1 . . . . 149 SER N . 7288 1 35 . 1 1 5 5 VAL H H 1 8.10 0.02 . 1 . . . . 150 VAL HN . 7288 1 36 . 1 1 5 5 VAL HA H 1 4.14 0.02 . 1 . . . . 150 VAL HA . 7288 1 37 . 1 1 5 5 VAL HB H 1 2.08 0.02 . 1 . . . . 150 VAL HB . 7288 1 38 . 1 1 5 5 VAL HG11 H 1 0.92 0.02 . 2 . . . . 150 VAL HG1 . 7288 1 39 . 1 1 5 5 VAL HG12 H 1 0.92 0.02 . 2 . . . . 150 VAL HG1 . 7288 1 40 . 1 1 5 5 VAL HG13 H 1 0.92 0.02 . 2 . . . . 150 VAL HG1 . 7288 1 41 . 1 1 5 5 VAL HG21 H 1 0.92 0.02 . 2 . . . . 150 VAL HG2 . 7288 1 42 . 1 1 5 5 VAL HG22 H 1 0.92 0.02 . 2 . . . . 150 VAL HG2 . 7288 1 43 . 1 1 5 5 VAL HG23 H 1 0.92 0.02 . 2 . . . . 150 VAL HG2 . 7288 1 44 . 1 1 5 5 VAL CA C 13 60.7 0.2 . 1 . . . . 150 VAL CA . 7288 1 45 . 1 1 5 5 VAL CB C 13 30.8 0.2 . 1 . . . . 150 VAL CB . 7288 1 46 . 1 1 5 5 VAL CG1 C 13 19.0 0.2 . 1 . . . . 150 VAL CG1 . 7288 1 47 . 1 1 5 5 VAL N N 15 119.0 0.2 . 1 . . . . 150 VAL N . 7288 1 48 . 1 1 6 6 MET H H 1 8.26 0.02 . 1 . . . . 151 MET HN . 7288 1 49 . 1 1 6 6 MET HA H 1 4.50 0.02 . 1 . . . . 151 MET HA . 7288 1 50 . 1 1 6 6 MET HB2 H 1 2.00 0.02 . 1 . . . . 151 MET HB2 . 7288 1 51 . 1 1 6 6 MET HB3 H 1 2.00 0.02 . 1 . . . . 151 MET HB3 . 7288 1 52 . 1 1 6 6 MET HG2 H 1 2.53 0.02 . 2 . . . . 151 MET HG2 . 7288 1 53 . 1 1 6 6 MET HG3 H 1 2.61 0.02 . 2 . . . . 151 MET HG3 . 7288 1 54 . 1 1 6 6 MET CA C 13 54.0 0.2 . 1 . . . . 151 MET CA . 7288 1 55 . 1 1 6 6 MET CB C 13 31.1 0.2 . 1 . . . . 151 MET CB . 7288 1 56 . 1 1 6 6 MET CG C 13 30.3 0.2 . 1 . . . . 151 MET CG . 7288 1 57 . 1 1 6 6 MET N N 15 120.8 0.2 . 1 . . . . 151 MET N . 7288 1 58 . 1 1 7 7 LYS H H 1 8.20 0.02 . 1 . . . . 152 LYS HN . 7288 1 59 . 1 1 7 7 LYS HA H 1 4.35 0.02 . 1 . . . . 152 LYS HA . 7288 1 60 . 1 1 7 7 LYS HB2 H 1 1.76 0.02 . 1 . . . . 152 LYS HB2 . 7288 1 61 . 1 1 7 7 LYS HB3 H 1 1.76 0.02 . 1 . . . . 152 LYS HB3 . 7288 1 62 . 1 1 7 7 LYS HG2 H 1 1.87 0.02 . 1 . . . . 152 LYS HG2 . 7288 1 63 . 1 1 7 7 LYS HG3 H 1 1.87 0.02 . 1 . . . . 152 LYS HG3 . 7288 1 64 . 1 1 7 7 LYS HD2 H 1 1.45 0.02 . 1 . . . . 152 LYS HD2 . 7288 1 65 . 1 1 7 7 LYS HD3 H 1 1.45 0.02 . 1 . . . . 152 LYS HD3 . 7288 1 66 . 1 1 7 7 LYS CD C 13 27.7 0.2 . 1 . . . . 152 LYS CD . 7288 1 67 . 1 1 7 7 LYS N N 15 120.5 0.2 . 1 . . . . 152 LYS N . 7288 1 68 . 1 1 8 8 LYS H H 1 8.29 0.02 . 1 . . . . 153 LYS HN . 7288 1 69 . 1 1 8 8 LYS HA H 1 4.36 0.02 . 1 . . . . 153 LYS HA . 7288 1 70 . 1 1 8 8 LYS HB2 H 1 1.86 0.02 . 1 . . . . 153 LYS HB2 . 7288 1 71 . 1 1 8 8 LYS HB3 H 1 1.86 0.02 . 1 . . . . 153 LYS HB3 . 7288 1 72 . 1 1 8 8 LYS HG2 H 1 1.67 0.02 . 1 . . . . 153 LYS HG2 . 7288 1 73 . 1 1 8 8 LYS HG3 H 1 1.67 0.02 . 1 . . . . 153 LYS HG3 . 7288 1 74 . 1 1 8 8 LYS HD2 H 1 1.41 0.02 . 1 . . . . 153 LYS HD2 . 7288 1 75 . 1 1 8 8 LYS HD3 H 1 1.41 0.02 . 1 . . . . 153 LYS HD3 . 7288 1 76 . 1 1 8 8 LYS HE2 H 1 2.97 0.02 . 1 . . . . 153 LYS HE2 . 7288 1 77 . 1 1 8 8 LYS HE3 H 1 2.97 0.02 . 1 . . . . 153 LYS HE3 . 7288 1 78 . 1 1 8 8 LYS CA C 13 54.6 0.2 . 1 . . . . 153 LYS CA . 7288 1 79 . 1 1 8 8 LYS CB C 13 31.3 0.2 . 1 . . . . 153 LYS CB . 7288 1 80 . 1 1 8 8 LYS CD C 13 27.0 0.2 . 1 . . . . 153 LYS CD . 7288 1 81 . 1 1 8 8 LYS CE C 13 40.3 0.2 . 1 . . . . 153 LYS CE . 7288 1 82 . 1 1 8 8 LYS N N 15 120.3 0.2 . 1 . . . . 153 LYS N . 7288 1 83 . 1 1 9 9 GLY H H 1 8.41 0.02 . 1 . . . . 154 GLY HN . 7288 1 84 . 1 1 9 9 GLY HA2 H 1 4.02 0.02 . 1 . . . . 154 GLY HA1 . 7288 1 85 . 1 1 9 9 GLY HA3 H 1 4.02 0.02 . 1 . . . . 154 GLY HA2 . 7288 1 86 . 1 1 9 9 GLY CA C 13 43.3 0.2 . 1 . . . . 154 GLY CA . 7288 1 87 . 1 1 9 9 GLY N N 15 107.6 0.2 . 1 . . . . 154 GLY N . 7288 1 88 . 1 1 10 10 GLY H H 1 8.25 0.02 . 1 . . . . 155 GLY HN . 7288 1 89 . 1 1 10 10 GLY HA2 H 1 3.98 0.02 . 1 . . . . 155 GLY HA1 . 7288 1 90 . 1 1 10 10 GLY HA3 H 1 3.98 0.02 . 1 . . . . 155 GLY HA2 . 7288 1 91 . 1 1 10 10 GLY CA C 13 43.3 0.2 . 1 . . . . 155 GLY CA . 7288 1 92 . 1 1 10 10 GLY N N 15 106.2 0.2 . 1 . . . . 155 GLY N . 7288 1 93 . 1 1 11 11 ILE H H 1 8.07 0.02 . 1 . . . . 156 ILE HN . 7288 1 94 . 1 1 11 11 ILE HA H 1 3.81 0.02 . 1 . . . . 156 ILE HA . 7288 1 95 . 1 1 11 11 ILE HB H 1 1.54 0.02 . 1 . . . . 156 ILE HB . 7288 1 96 . 1 1 11 11 ILE HG12 H 1 0.89 0.02 . 2 . . . . 156 ILE HG12 . 7288 1 97 . 1 1 11 11 ILE HG13 H 1 1.02 0.02 . 2 . . . . 156 ILE HG13 . 7288 1 98 . 1 1 11 11 ILE HG21 H 1 0.44 0.02 . 1 . . . . 156 ILE HG2 . 7288 1 99 . 1 1 11 11 ILE HG22 H 1 0.44 0.02 . 1 . . . . 156 ILE HG2 . 7288 1 100 . 1 1 11 11 ILE HG23 H 1 0.44 0.02 . 1 . . . . 156 ILE HG2 . 7288 1 101 . 1 1 11 11 ILE HD11 H 1 0.61 0.02 . 1 . . . . 156 ILE HD1 . 7288 1 102 . 1 1 11 11 ILE HD12 H 1 0.61 0.02 . 1 . . . . 156 ILE HD1 . 7288 1 103 . 1 1 11 11 ILE HD13 H 1 0.61 0.02 . 1 . . . . 156 ILE HD1 . 7288 1 104 . 1 1 11 11 ILE CA C 13 60.3 0.2 . 1 . . . . 156 ILE CA . 7288 1 105 . 1 1 11 11 ILE CB C 13 36.6 0.2 . 1 . . . . 156 ILE CB . 7288 1 106 . 1 1 11 11 ILE CG1 C 13 25.2 0.2 . 1 . . . . 156 ILE CG1 . 7288 1 107 . 1 1 11 11 ILE CG2 C 13 15.4 0.2 . 1 . . . . 156 ILE CG2 . 7288 1 108 . 1 1 11 11 ILE CD1 C 13 11.6 0.2 . 1 . . . . 156 ILE CD1 . 7288 1 109 . 1 1 11 11 ILE N N 15 116.8 0.2 . 1 . . . . 156 ILE N . 7288 1 110 . 1 1 12 12 PHE H H 1 7.91 0.02 . 1 . . . . 157 PHE HN . 7288 1 111 . 1 1 12 12 PHE HA H 1 4.65 0.02 . 1 . . . . 157 PHE HA . 7288 1 112 . 1 1 12 12 PHE HB2 H 1 3.01 0.02 . 2 . . . . 157 PHE HB2 . 7288 1 113 . 1 1 12 12 PHE HB3 H 1 3.20 0.02 . 2 . . . . 157 PHE HB3 . 7288 1 114 . 1 1 12 12 PHE HD1 H 1 7.19 0.02 . 1 . . . . 157 PHE HD1 . 7288 1 115 . 1 1 12 12 PHE HD2 H 1 7.19 0.02 . 1 . . . . 157 PHE HD2 . 7288 1 116 . 1 1 12 12 PHE HE1 H 1 7.13 0.02 . 1 . . . . 157 PHE HE1 . 7288 1 117 . 1 1 12 12 PHE HE2 H 1 7.13 0.02 . 1 . . . . 157 PHE HE2 . 7288 1 118 . 1 1 12 12 PHE HZ H 1 7.04 0.02 . 1 . . . . 157 PHE HZ . 7288 1 119 . 1 1 12 12 PHE CA C 13 55.0 0.2 . 1 . . . . 157 PHE CA . 7288 1 120 . 1 1 12 12 PHE CB C 13 37.4 0.2 . 1 . . . . 157 PHE CB . 7288 1 121 . 1 1 12 12 PHE N N 15 116.3 0.2 . 1 . . . . 157 PHE N . 7288 1 122 . 1 1 13 13 SER H H 1 8.04 0.02 . 1 . . . . 158 SER HN . 7288 1 123 . 1 1 13 13 SER HA H 1 4.53 0.02 . 1 . . . . 158 SER HA . 7288 1 124 . 1 1 13 13 SER HB2 H 1 3.97 0.02 . 2 . . . . 158 SER HB2 . 7288 1 125 . 1 1 13 13 SER HB3 H 1 4.23 0.02 . 2 . . . . 158 SER HB3 . 7288 1 126 . 1 1 13 13 SER CA C 13 55.9 0.2 . 1 . . . . 158 SER CA . 7288 1 127 . 1 1 13 13 SER CB C 13 63.1 0.2 . 1 . . . . 158 SER CB . 7288 1 128 . 1 1 13 13 SER N N 15 113.5 0.2 . 1 . . . . 158 SER N . 7288 1 129 . 1 1 14 14 ALA H H 1 8.83 0.02 . 1 . . . . 159 ALA HN . 7288 1 130 . 1 1 14 14 ALA HA H 1 4.17 0.02 . 1 . . . . 159 ALA HA . 7288 1 131 . 1 1 14 14 ALA HB1 H 1 1.54 0.02 . 1 . . . . 159 ALA HB . 7288 1 132 . 1 1 14 14 ALA HB2 H 1 1.54 0.02 . 1 . . . . 159 ALA HB . 7288 1 133 . 1 1 14 14 ALA HB3 H 1 1.54 0.02 . 1 . . . . 159 ALA HB . 7288 1 134 . 1 1 14 14 ALA CA C 13 53.2 0.2 . 1 . . . . 159 ALA CA . 7288 1 135 . 1 1 14 14 ALA CB C 13 16.6 0.2 . 1 . . . . 159 ALA CB . 7288 1 136 . 1 1 14 14 ALA N N 15 123.5 0.2 . 1 . . . . 159 ALA N . 7288 1 137 . 1 1 15 15 GLU H H 1 8.65 0.02 . 1 . . . . 160 GLU HN . 7288 1 138 . 1 1 15 15 GLU HA H 1 4.03 0.02 . 1 . . . . 160 GLU HA . 7288 1 139 . 1 1 15 15 GLU HB2 H 1 2.09 0.02 . 1 . . . . 160 GLU HB2 . 7288 1 140 . 1 1 15 15 GLU HB3 H 1 2.09 0.02 . 1 . . . . 160 GLU HB3 . 7288 1 141 . 1 1 15 15 GLU HG2 H 1 2.34 0.02 . 2 . . . . 160 GLU HG2 . 7288 1 142 . 1 1 15 15 GLU HG3 H 1 2.42 0.02 . 2 . . . . 160 GLU HG3 . 7288 1 143 . 1 1 15 15 GLU CA C 13 57.8 0.2 . 1 . . . . 160 GLU CA . 7288 1 144 . 1 1 15 15 GLU CB C 13 27.2 0.2 . 1 . . . . 160 GLU CB . 7288 1 145 . 1 1 15 15 GLU CG C 13 34.7 0.2 . 1 . . . . 160 GLU CG . 7288 1 146 . 1 1 15 15 GLU N N 15 114.7 0.2 . 1 . . . . 160 GLU N . 7288 1 147 . 1 1 16 16 PHE H H 1 8.00 0.02 . 1 . . . . 161 PHE HN . 7288 1 148 . 1 1 16 16 PHE HA H 1 4.37 0.02 . 1 . . . . 161 PHE HA . 7288 1 149 . 1 1 16 16 PHE HB2 H 1 3.28 0.02 . 1 . . . . 161 PHE HB2 . 7288 1 150 . 1 1 16 16 PHE HB3 H 1 3.28 0.02 . 1 . . . . 161 PHE HB3 . 7288 1 151 . 1 1 16 16 PHE HD1 H 1 7.18 0.02 . 1 . . . . 161 PHE HD1 . 7288 1 152 . 1 1 16 16 PHE HD2 H 1 7.18 0.02 . 1 . . . . 161 PHE HD2 . 7288 1 153 . 1 1 16 16 PHE HE1 H 1 6.88 0.02 . 1 . . . . 161 PHE HE1 . 7288 1 154 . 1 1 16 16 PHE HE2 H 1 6.88 0.02 . 1 . . . . 161 PHE HE2 . 7288 1 155 . 1 1 16 16 PHE HZ H 1 6.67 0.02 . 1 . . . . 161 PHE HZ . 7288 1 156 . 1 1 16 16 PHE CA C 13 58.9 0.2 . 1 . . . . 161 PHE CA . 7288 1 157 . 1 1 16 16 PHE CB C 13 38.0 0.2 . 1 . . . . 161 PHE CB . 7288 1 158 . 1 1 16 16 PHE CZ C 13 127.1 0.2 . 1 . . . . 161 PHE CZ . 7288 1 159 . 1 1 16 16 PHE N N 15 116.8 0.2 . 1 . . . . 161 PHE N . 7288 1 160 . 1 1 17 17 LEU H H 1 8.25 0.02 . 1 . . . . 162 LEU HN . 7288 1 161 . 1 1 17 17 LEU HA H 1 3.99 0.02 . 1 . . . . 162 LEU HA . 7288 1 162 . 1 1 17 17 LEU HB2 H 1 1.50 0.02 . 2 . . . . 162 LEU HB2 . 7288 1 163 . 1 1 17 17 LEU HB3 H 1 2.02 0.02 . 2 . . . . 162 LEU HB3 . 7288 1 164 . 1 1 17 17 LEU HD11 H 1 0.78 0.02 . 2 . . . . 162 LEU HD1 . 7288 1 165 . 1 1 17 17 LEU HD12 H 1 0.78 0.02 . 2 . . . . 162 LEU HD1 . 7288 1 166 . 1 1 17 17 LEU HD13 H 1 0.78 0.02 . 2 . . . . 162 LEU HD1 . 7288 1 167 . 1 1 17 17 LEU HD21 H 1 0.98 0.02 . 2 . . . . 162 LEU HD2 . 7288 1 168 . 1 1 17 17 LEU HD22 H 1 0.98 0.02 . 2 . . . . 162 LEU HD2 . 7288 1 169 . 1 1 17 17 LEU HD23 H 1 0.98 0.02 . 2 . . . . 162 LEU HD2 . 7288 1 170 . 1 1 17 17 LEU CA C 13 56.3 0.2 . 1 . . . . 162 LEU CA . 7288 1 171 . 1 1 17 17 LEU CB C 13 40.0 0.2 . 1 . . . . 162 LEU CB . 7288 1 172 . 1 1 17 17 LEU CD2 C 13 23.9 0.2 . 1 . . . . 162 LEU CD2 . 7288 1 173 . 1 1 17 17 LEU N N 15 116.6 0.2 . 1 . . . . 162 LEU N . 7288 1 174 . 1 1 18 18 LYS H H 1 8.04 0.02 . 1 . . . . 163 LYS HN . 7288 1 175 . 1 1 18 18 LYS HA H 1 4.01 0.02 . 1 . . . . 163 LYS HA . 7288 1 176 . 1 1 18 18 LYS HB2 H 1 1.98 0.02 . 1 . . . . 163 LYS HB2 . 7288 1 177 . 1 1 18 18 LYS HB3 H 1 1.98 0.02 . 1 . . . . 163 LYS HB3 . 7288 1 178 . 1 1 18 18 LYS HG2 H 1 1.52 0.02 . 1 . . . . 163 LYS HG2 . 7288 1 179 . 1 1 18 18 LYS HG3 H 1 1.52 0.02 . 1 . . . . 163 LYS HG3 . 7288 1 180 . 1 1 18 18 LYS HD2 H 1 1.63 0.02 . 1 . . . . 163 LYS HD2 . 7288 1 181 . 1 1 18 18 LYS HD3 H 1 1.63 0.02 . 1 . . . . 163 LYS HD3 . 7288 1 182 . 1 1 18 18 LYS HE2 H 1 2.95 0.02 . 1 . . . . 163 LYS HE2 . 7288 1 183 . 1 1 18 18 LYS HE3 H 1 2.95 0.02 . 1 . . . . 163 LYS HE3 . 7288 1 184 . 1 1 18 18 LYS CA C 13 57.3 0.2 . 1 . . . . 163 LYS CA . 7288 1 185 . 1 1 18 18 LYS CB C 13 31.0 0.2 . 1 . . . . 163 LYS CB . 7288 1 186 . 1 1 18 18 LYS N N 15 113.5 0.2 . 1 . . . . 163 LYS N . 7288 1 187 . 1 1 19 19 VAL H H 1 7.18 0.02 . 1 . . . . 164 VAL HN . 7288 1 188 . 1 1 19 19 VAL HA H 1 4.17 0.02 . 1 . . . . 164 VAL HA . 7288 1 189 . 1 1 19 19 VAL HB H 1 2.02 0.02 . 1 . . . . 164 VAL HB . 7288 1 190 . 1 1 19 19 VAL HG11 H 1 0.80 0.02 . 2 . . . . 164 VAL HG1 . 7288 1 191 . 1 1 19 19 VAL HG12 H 1 0.80 0.02 . 2 . . . . 164 VAL HG1 . 7288 1 192 . 1 1 19 19 VAL HG13 H 1 0.80 0.02 . 2 . . . . 164 VAL HG1 . 7288 1 193 . 1 1 19 19 VAL HG21 H 1 0.99 0.02 . 2 . . . . 164 VAL HG2 . 7288 1 194 . 1 1 19 19 VAL HG22 H 1 0.99 0.02 . 2 . . . . 164 VAL HG2 . 7288 1 195 . 1 1 19 19 VAL HG23 H 1 0.99 0.02 . 2 . . . . 164 VAL HG2 . 7288 1 196 . 1 1 19 19 VAL CA C 13 61.3 0.2 . 1 . . . . 164 VAL CA . 7288 1 197 . 1 1 19 19 VAL CB C 13 31.5 0.2 . 1 . . . . 164 VAL CB . 7288 1 198 . 1 1 19 19 VAL CG1 C 13 19.6 0.2 . 1 . . . . 164 VAL CG1 . 7288 1 199 . 1 1 19 19 VAL CG2 C 13 19.6 0.2 . 1 . . . . 164 VAL CG2 . 7288 1 200 . 1 1 19 19 VAL N N 15 109.8 0.2 . 1 . . . . 164 VAL N . 7288 1 201 . 1 1 20 20 PHE H H 1 8.46 0.02 . 1 . . . . 165 PHE HN . 7288 1 202 . 1 1 20 20 PHE HA H 1 4.29 0.02 . 1 . . . . 165 PHE HA . 7288 1 203 . 1 1 20 20 PHE HB2 H 1 2.61 0.02 . 2 . . . . 165 PHE HB2 . 7288 1 204 . 1 1 20 20 PHE HB3 H 1 2.73 0.02 . 2 . . . . 165 PHE HB3 . 7288 1 205 . 1 1 20 20 PHE HD1 H 1 7.08 0.02 . 1 . . . . 165 PHE HD1 . 7288 1 206 . 1 1 20 20 PHE HD2 H 1 7.08 0.02 . 1 . . . . 165 PHE HD2 . 7288 1 207 . 1 1 20 20 PHE HE1 H 1 7.22 0.02 . 1 . . . . 165 PHE HE1 . 7288 1 208 . 1 1 20 20 PHE HE2 H 1 7.22 0.02 . 1 . . . . 165 PHE HE2 . 7288 1 209 . 1 1 20 20 PHE HZ H 1 7.01 0.02 . 1 . . . . 165 PHE HZ . 7288 1 210 . 1 1 20 20 PHE CA C 13 59.2 0.2 . 1 . . . . 165 PHE CA . 7288 1 211 . 1 1 20 20 PHE CB C 13 38.8 0.2 . 1 . . . . 165 PHE CB . 7288 1 212 . 1 1 20 20 PHE N N 15 118.7 0.2 . 1 . . . . 165 PHE N . 7288 1 213 . 1 1 21 21 LEU H H 1 8.48 0.02 . 1 . . . . 166 LEU HN . 7288 1 214 . 1 1 21 21 LEU HA H 1 4.17 0.02 . 1 . . . . 166 LEU HA . 7288 1 215 . 1 1 21 21 LEU HB2 H 1 1.59 0.02 . 2 . . . . 166 LEU HB2 . 7288 1 216 . 1 1 21 21 LEU HB3 H 1 1.89 0.02 . 2 . . . . 166 LEU HB3 . 7288 1 217 . 1 1 21 21 LEU HD11 H 1 0.88 0.02 . 2 . . . . 166 LEU HD1 . 7288 1 218 . 1 1 21 21 LEU HD12 H 1 0.88 0.02 . 2 . . . . 166 LEU HD1 . 7288 1 219 . 1 1 21 21 LEU HD13 H 1 0.88 0.02 . 2 . . . . 166 LEU HD1 . 7288 1 220 . 1 1 21 21 LEU HD21 H 1 0.96 0.02 . 2 . . . . 166 LEU HD2 . 7288 1 221 . 1 1 21 21 LEU HD22 H 1 0.96 0.02 . 2 . . . . 166 LEU HD2 . 7288 1 222 . 1 1 21 21 LEU HD23 H 1 0.96 0.02 . 2 . . . . 166 LEU HD2 . 7288 1 223 . 1 1 21 21 LEU CA C 13 57.8 0.2 . 1 . . . . 166 LEU CA . 7288 1 224 . 1 1 21 21 LEU CB C 13 37.1 0.2 . 1 . . . . 166 LEU CB . 7288 1 225 . 1 1 21 21 LEU N N 15 114.4 0.2 . 1 . . . . 166 LEU N . 7288 1 226 . 1 1 22 22 PRO HA H 1 4.15 0.02 . 1 . . . . 167 PRO HA . 7288 1 227 . 1 1 22 22 PRO HB2 H 1 1.87 0.02 . 2 . . . . 167 PRO HB2 . 7288 1 228 . 1 1 22 22 PRO HB3 H 1 2.17 0.02 . 2 . . . . 167 PRO HB3 . 7288 1 229 . 1 1 22 22 PRO HG2 H 1 1.89 0.02 . 2 . . . . 167 PRO HG2 . 7288 1 230 . 1 1 22 22 PRO HG3 H 1 2.40 0.02 . 2 . . . . 167 PRO HG3 . 7288 1 231 . 1 1 22 22 PRO HD2 H 1 3.53 0.02 . 2 . . . . 167 PRO HD2 . 7288 1 232 . 1 1 22 22 PRO HD3 H 1 3.62 0.02 . 2 . . . . 167 PRO HD3 . 7288 1 233 . 1 1 22 22 PRO CA C 13 64.7 0.2 . 1 . . . . 167 PRO CA . 7288 1 234 . 1 1 22 22 PRO CB C 13 28.9 0.2 . 1 . . . . 167 PRO CB . 7288 1 235 . 1 1 22 22 PRO CG C 13 27.0 0.2 . 1 . . . . 167 PRO CG . 7288 1 236 . 1 1 22 22 PRO CD C 13 48.4 0.2 . 1 . . . . 167 PRO CD . 7288 1 237 . 1 1 23 23 SER H H 1 7.33 0.02 . 1 . . . . 168 SER HN . 7288 1 238 . 1 1 23 23 SER HA H 1 4.14 0.02 . 1 . . . . 168 SER HA . 7288 1 239 . 1 1 23 23 SER HB2 H 1 3.71 0.02 . 2 . . . . 168 SER HB2 . 7288 1 240 . 1 1 23 23 SER HB3 H 1 4.08 0.02 . 2 . . . . 168 SER HB3 . 7288 1 241 . 1 1 23 23 SER CA C 13 61.7 0.2 . 1 . . . . 168 SER CA . 7288 1 242 . 1 1 23 23 SER CB C 13 60.8 0.2 . 1 . . . . 168 SER CB . 7288 1 243 . 1 1 23 23 SER N N 15 110.2 0.2 . 1 . . . . 168 SER N . 7288 1 244 . 1 1 24 24 LEU H H 1 7.90 0.02 . 1 . . . . 169 LEU HN . 7288 1 245 . 1 1 24 24 LEU HA H 1 4.89 0.02 . 1 . . . . 169 LEU HA . 7288 1 246 . 1 1 24 24 LEU HB2 H 1 1.35 0.02 . 2 . . . . 169 LEU HB2 . 7288 1 247 . 1 1 24 24 LEU HB3 H 1 1.83 0.02 . 2 . . . . 169 LEU HB3 . 7288 1 248 . 1 1 24 24 LEU HG H 1 1.71 0.02 . 1 . . . . 169 LEU HG . 7288 1 249 . 1 1 24 24 LEU HD11 H 1 0.81 0.02 . 2 . . . . 169 LEU HD1 . 7288 1 250 . 1 1 24 24 LEU HD12 H 1 0.81 0.02 . 2 . . . . 169 LEU HD1 . 7288 1 251 . 1 1 24 24 LEU HD13 H 1 0.81 0.02 . 2 . . . . 169 LEU HD1 . 7288 1 252 . 1 1 24 24 LEU HD21 H 1 0.88 0.02 . 2 . . . . 169 LEU HD2 . 7288 1 253 . 1 1 24 24 LEU HD22 H 1 0.88 0.02 . 2 . . . . 169 LEU HD2 . 7288 1 254 . 1 1 24 24 LEU HD23 H 1 0.88 0.02 . 2 . . . . 169 LEU HD2 . 7288 1 255 . 1 1 24 24 LEU CA C 13 53.7 0.2 . 1 . . . . 169 LEU CA . 7288 1 256 . 1 1 24 24 LEU CB C 13 40.6 0.2 . 1 . . . . 169 LEU CB . 7288 1 257 . 1 1 24 24 LEU N N 15 118.0 0.2 . 1 . . . . 169 LEU N . 7288 1 258 . 1 1 25 25 LEU H H 1 8.30 0.02 . 1 . . . . 170 LEU HN . 7288 1 259 . 1 1 25 25 LEU HA H 1 4.13 0.02 . 1 . . . . 170 LEU HA . 7288 1 260 . 1 1 25 25 LEU HB2 H 1 1.75 0.02 . 1 . . . . 170 LEU HB2 . 7288 1 261 . 1 1 25 25 LEU HB3 H 1 1.75 0.02 . 1 . . . . 170 LEU HB3 . 7288 1 262 . 1 1 25 25 LEU CA C 13 56.4 0.2 . 1 . . . . 170 LEU CA . 7288 1 263 . 1 1 25 25 LEU N N 15 120.6 0.2 . 1 . . . . 170 LEU N . 7288 1 264 . 1 1 26 26 LEU H H 1 7.96 0.02 . 1 . . . . 171 LEU HN . 7288 1 265 . 1 1 26 26 LEU HA H 1 4.05 0.02 . 1 . . . . 171 LEU HA . 7288 1 266 . 1 1 26 26 LEU HB2 H 1 1.78 0.02 . 1 . . . . 171 LEU HB2 . 7288 1 267 . 1 1 26 26 LEU HB3 H 1 1.78 0.02 . 1 . . . . 171 LEU HB3 . 7288 1 268 . 1 1 26 26 LEU HD11 H 1 0.80 0.02 . 2 . . . . 171 LEU HD1 . 7288 1 269 . 1 1 26 26 LEU HD12 H 1 0.80 0.02 . 2 . . . . 171 LEU HD1 . 7288 1 270 . 1 1 26 26 LEU HD13 H 1 0.80 0.02 . 2 . . . . 171 LEU HD1 . 7288 1 271 . 1 1 26 26 LEU HD21 H 1 0.92 0.02 . 2 . . . . 171 LEU HD2 . 7288 1 272 . 1 1 26 26 LEU HD22 H 1 0.92 0.02 . 2 . . . . 171 LEU HD2 . 7288 1 273 . 1 1 26 26 LEU HD23 H 1 0.92 0.02 . 2 . . . . 171 LEU HD2 . 7288 1 274 . 1 1 26 26 LEU CA C 13 56.5 0.2 . 1 . . . . 171 LEU CA . 7288 1 275 . 1 1 26 26 LEU CB C 13 39.5 0.2 . 1 . . . . 171 LEU CB . 7288 1 276 . 1 1 26 26 LEU N N 15 115.5 0.2 . 1 . . . . 171 LEU N . 7288 1 277 . 1 1 27 27 SER H H 1 9.14 0.02 . 1 . . . . 172 SER HN . 7288 1 278 . 1 1 27 27 SER HA H 1 4.18 0.02 . 1 . . . . 172 SER HA . 7288 1 279 . 1 1 27 27 SER HB2 H 1 3.94 0.02 . 2 . . . . 172 SER HB2 . 7288 1 280 . 1 1 27 27 SER HB3 H 1 3.79 0.02 . 2 . . . . 172 SER HB3 . 7288 1 281 . 1 1 27 27 SER CA C 13 60.5 0.2 . 1 . . . . 172 SER CA . 7288 1 282 . 1 1 27 27 SER CB C 13 58.7 0.2 . 1 . . . . 172 SER CB . 7288 1 283 . 1 1 27 27 SER N N 15 114.2 0.2 . 1 . . . . 172 SER N . 7288 1 284 . 1 1 28 28 HIS H H 1 7.74 0.02 . 1 . . . . 173 HIS HN . 7288 1 285 . 1 1 28 28 HIS HA H 1 4.14 0.02 . 1 . . . . 173 HIS HA . 7288 1 286 . 1 1 28 28 HIS HB2 H 1 2.77 0.02 . 2 . . . . 173 HIS HB2 . 7288 1 287 . 1 1 28 28 HIS HB3 H 1 2.98 0.02 . 2 . . . . 173 HIS HB3 . 7288 1 288 . 1 1 28 28 HIS HD2 H 1 6.21 0.02 . 1 . . . . 173 HIS HD2 . 7288 1 289 . 1 1 28 28 HIS HE1 H 1 6.88 0.02 . 1 . . . . 173 HIS HE1 . 7288 1 290 . 1 1 28 28 HIS CA C 13 61.0 0.2 . 1 . . . . 173 HIS CA . 7288 1 291 . 1 1 28 28 HIS CB C 13 26.3 0.2 . 1 . . . . 173 HIS CB . 7288 1 292 . 1 1 28 28 HIS CD2 C 13 125.2 0.2 . 1 . . . . 173 HIS CD2 . 7288 1 293 . 1 1 28 28 HIS CE1 C 13 134.2 0.2 . 1 . . . . 173 HIS CE1 . 7288 1 294 . 1 1 28 28 HIS N N 15 117.4 0.2 . 1 . . . . 173 HIS N . 7288 1 295 . 1 1 29 29 LEU H H 1 8.26 0.02 . 1 . . . . 174 LEU HN . 7288 1 296 . 1 1 29 29 LEU HA H 1 4.13 0.02 . 1 . . . . 174 LEU HA . 7288 1 297 . 1 1 29 29 LEU HB2 H 1 1.57 0.02 . 2 . . . . 174 LEU HB2 . 7288 1 298 . 1 1 29 29 LEU HB3 H 1 2.02 0.02 . 2 . . . . 174 LEU HB3 . 7288 1 299 . 1 1 29 29 LEU HG H 1 1.91 0.02 . 1 . . . . 174 LEU HG . 7288 1 300 . 1 1 29 29 LEU HD11 H 1 0.83 0.02 . 2 . . . . 174 LEU HD1 . 7288 1 301 . 1 1 29 29 LEU HD12 H 1 0.83 0.02 . 2 . . . . 174 LEU HD1 . 7288 1 302 . 1 1 29 29 LEU HD13 H 1 0.83 0.02 . 2 . . . . 174 LEU HD1 . 7288 1 303 . 1 1 29 29 LEU CA C 13 56.6 0.2 . 1 . . . . 174 LEU CA . 7288 1 304 . 1 1 29 29 LEU CB C 13 39.9 0.2 . 1 . . . . 174 LEU CB . 7288 1 305 . 1 1 29 29 LEU CG C 13 25.7 0.2 . 1 . . . . 174 LEU CG . 7288 1 306 . 1 1 29 29 LEU CD1 C 13 22.4 0.2 . 1 . . . . 174 LEU CD1 . 7288 1 307 . 1 1 29 29 LEU N N 15 118.6 0.2 . 1 . . . . 174 LEU N . 7288 1 308 . 1 1 30 30 LEU H H 1 8.57 0.02 . 1 . . . . 175 LEU HN . 7288 1 309 . 1 1 30 30 LEU HA H 1 3.98 0.02 . 1 . . . . 175 LEU HA . 7288 1 310 . 1 1 30 30 LEU HB2 H 1 1.51 0.02 . 2 . . . . 175 LEU HB2 . 7288 1 311 . 1 1 30 30 LEU HB3 H 1 1.93 0.02 . 2 . . . . 175 LEU HB3 . 7288 1 312 . 1 1 30 30 LEU HD11 H 1 0.81 0.02 . 2 . . . . 175 LEU HD1 . 7288 1 313 . 1 1 30 30 LEU HD12 H 1 0.81 0.02 . 2 . . . . 175 LEU HD1 . 7288 1 314 . 1 1 30 30 LEU HD13 H 1 0.81 0.02 . 2 . . . . 175 LEU HD1 . 7288 1 315 . 1 1 30 30 LEU HD21 H 1 0.98 0.02 . 2 . . . . 175 LEU HD2 . 7288 1 316 . 1 1 30 30 LEU HD22 H 1 0.98 0.02 . 2 . . . . 175 LEU HD2 . 7288 1 317 . 1 1 30 30 LEU HD23 H 1 0.98 0.02 . 2 . . . . 175 LEU HD2 . 7288 1 318 . 1 1 30 30 LEU CA C 13 56.3 0.2 . 1 . . . . 175 LEU CA . 7288 1 319 . 1 1 30 30 LEU CB C 13 40.2 0.2 . 1 . . . . 175 LEU CB . 7288 1 320 . 1 1 30 30 LEU N N 15 116.5 0.2 . 1 . . . . 175 LEU N . 7288 1 321 . 1 1 31 31 ALA H H 1 7.91 0.02 . 1 . . . . 176 ALA HN . 7288 1 322 . 1 1 31 31 ALA HA H 1 4.00 0.02 . 1 . . . . 176 ALA HA . 7288 1 323 . 1 1 31 31 ALA HB1 H 1 1.78 0.02 . 1 . . . . 176 ALA HB . 7288 1 324 . 1 1 31 31 ALA HB2 H 1 1.78 0.02 . 1 . . . . 176 ALA HB . 7288 1 325 . 1 1 31 31 ALA HB3 H 1 1.78 0.02 . 1 . . . . 176 ALA HB . 7288 1 326 . 1 1 31 31 ALA CA C 13 54.0 0.2 . 1 . . . . 176 ALA CA . 7288 1 327 . 1 1 31 31 ALA CB C 13 16.6 0.2 . 1 . . . . 176 ALA CB . 7288 1 328 . 1 1 31 31 ALA N N 15 119.0 0.2 . 1 . . . . 176 ALA N . 7288 1 329 . 1 1 32 32 ILE H H 1 8.24 0.02 . 1 . . . . 177 ILE HN . 7288 1 330 . 1 1 32 32 ILE HA H 1 3.94 0.02 . 1 . . . . 177 ILE HA . 7288 1 331 . 1 1 32 32 ILE HB H 1 2.07 0.02 . 1 . . . . 177 ILE HB . 7288 1 332 . 1 1 32 32 ILE HG12 H 1 1.27 0.02 . 2 . . . . 177 ILE HG12 . 7288 1 333 . 1 1 32 32 ILE HG13 H 1 2.21 0.02 . 2 . . . . 177 ILE HG13 . 7288 1 334 . 1 1 32 32 ILE HG21 H 1 0.85 0.02 . 1 . . . . 177 ILE HG2 . 7288 1 335 . 1 1 32 32 ILE HG22 H 1 0.85 0.02 . 1 . . . . 177 ILE HG2 . 7288 1 336 . 1 1 32 32 ILE HG23 H 1 0.85 0.02 . 1 . . . . 177 ILE HG2 . 7288 1 337 . 1 1 32 32 ILE HD11 H 1 0.86 0.02 . 1 . . . . 177 ILE HD1 . 7288 1 338 . 1 1 32 32 ILE HD12 H 1 0.86 0.02 . 1 . . . . 177 ILE HD1 . 7288 1 339 . 1 1 32 32 ILE HD13 H 1 0.86 0.02 . 1 . . . . 177 ILE HD1 . 7288 1 340 . 1 1 32 32 ILE CA C 13 63.6 0.2 . 1 . . . . 177 ILE CA . 7288 1 341 . 1 1 32 32 ILE CB C 13 36.2 0.2 . 1 . . . . 177 ILE CB . 7288 1 342 . 1 1 32 32 ILE CG1 C 13 27.4 0.2 . 1 . . . . 177 ILE CG1 . 7288 1 343 . 1 1 32 32 ILE CG2 C 13 15.2 0.2 . 1 . . . . 177 ILE CG2 . 7288 1 344 . 1 1 32 32 ILE CD1 C 13 11.9 0.2 . 1 . . . . 177 ILE CD1 . 7288 1 345 . 1 1 32 32 ILE N N 15 116.0 0.2 . 1 . . . . 177 ILE N . 7288 1 346 . 1 1 33 33 GLY H H 1 8.59 0.02 . 1 . . . . 178 GLY HN . 7288 1 347 . 1 1 33 33 GLY HA2 H 1 3.64 0.02 . 2 . . . . 178 GLY HA1 . 7288 1 348 . 1 1 33 33 GLY HA3 H 1 3.98 0.02 . 2 . . . . 178 GLY HA2 . 7288 1 349 . 1 1 33 33 GLY CA C 13 45.9 0.2 . 1 . . . . 178 GLY CA . 7288 1 350 . 1 1 33 33 GLY N N 15 104.9 0.2 . 1 . . . . 178 GLY N . 7288 1 351 . 1 1 34 34 LEU H H 1 8.79 0.02 . 1 . . . . 179 LEU HN . 7288 1 352 . 1 1 34 34 LEU HA H 1 4.13 0.02 . 1 . . . . 179 LEU HA . 7288 1 353 . 1 1 34 34 LEU HB2 H 1 1.67 0.02 . 2 . . . . 179 LEU HB2 . 7288 1 354 . 1 1 34 34 LEU HB3 H 1 2.02 0.02 . 2 . . . . 179 LEU HB3 . 7288 1 355 . 1 1 34 34 LEU HG H 1 1.74 0.02 . 1 . . . . 179 LEU HG . 7288 1 356 . 1 1 34 34 LEU HD11 H 1 0.87 0.02 . 2 . . . . 179 LEU HD1 . 7288 1 357 . 1 1 34 34 LEU HD12 H 1 0.87 0.02 . 2 . . . . 179 LEU HD1 . 7288 1 358 . 1 1 34 34 LEU HD13 H 1 0.87 0.02 . 2 . . . . 179 LEU HD1 . 7288 1 359 . 1 1 34 34 LEU CA C 13 56.0 0.2 . 1 . . . . 179 LEU CA . 7288 1 360 . 1 1 34 34 LEU CB C 13 40.1 0.2 . 1 . . . . 179 LEU CB . 7288 1 361 . 1 1 34 34 LEU N N 15 120.0 0.2 . 1 . . . . 179 LEU N . 7288 1 362 . 1 1 35 35 GLY H H 1 8.51 0.02 . 1 . . . . 180 GLY HN . 7288 1 363 . 1 1 35 35 GLY HA2 H 1 3.81 0.02 . 2 . . . . 180 GLY HA1 . 7288 1 364 . 1 1 35 35 GLY HA3 H 1 4.54 0.02 . 2 . . . . 180 GLY HA2 . 7288 1 365 . 1 1 35 35 GLY CA C 13 46.5 0.2 . 1 . . . . 180 GLY CA . 7288 1 366 . 1 1 35 35 GLY N N 15 103.8 0.2 . 1 . . . . 180 GLY N . 7288 1 367 . 1 1 36 36 ILE H H 1 8.77 0.02 . 1 . . . . 181 ILE HN . 7288 1 368 . 1 1 36 36 ILE HA H 1 3.66 0.02 . 1 . . . . 181 ILE HA . 7288 1 369 . 1 1 36 36 ILE HB H 1 2.14 0.02 . 1 . . . . 181 ILE HB . 7288 1 370 . 1 1 36 36 ILE HG12 H 1 1.86 0.02 . 2 . . . . 181 ILE HG12 . 7288 1 371 . 1 1 36 36 ILE HG21 H 1 0.86 0.02 . 1 . . . . 181 ILE HG2 . 7288 1 372 . 1 1 36 36 ILE HG22 H 1 0.86 0.02 . 1 . . . . 181 ILE HG2 . 7288 1 373 . 1 1 36 36 ILE HG23 H 1 0.86 0.02 . 1 . . . . 181 ILE HG2 . 7288 1 374 . 1 1 36 36 ILE HD11 H 1 1.04 0.02 . 1 . . . . 181 ILE HD1 . 7288 1 375 . 1 1 36 36 ILE HD12 H 1 1.04 0.02 . 1 . . . . 181 ILE HD1 . 7288 1 376 . 1 1 36 36 ILE HD13 H 1 1.04 0.02 . 1 . . . . 181 ILE HD1 . 7288 1 377 . 1 1 36 36 ILE CA C 13 64.1 0.2 . 1 . . . . 181 ILE CA . 7288 1 378 . 1 1 36 36 ILE CB C 13 36.0 0.2 . 1 . . . . 181 ILE CB . 7288 1 379 . 1 1 36 36 ILE CG2 C 13 15.3 0.2 . 1 . . . . 181 ILE CG2 . 7288 1 380 . 1 1 36 36 ILE N N 15 121.7 0.2 . 1 . . . . 181 ILE N . 7288 1 381 . 1 1 37 37 TYR H H 1 7.99 0.02 . 1 . . . . 182 TYR HN . 7288 1 382 . 1 1 37 37 TYR HA H 1 4.02 0.02 . 1 . . . . 182 TYR HA . 7288 1 383 . 1 1 37 37 TYR HB2 H 1 3.06 0.02 . 2 . . . . 182 TYR HB2 . 7288 1 384 . 1 1 37 37 TYR HB3 H 1 3.48 0.02 . 2 . . . . 182 TYR HB3 . 7288 1 385 . 1 1 37 37 TYR HD1 H 1 7.03 0.02 . 1 . . . . 182 TYR HD1 . 7288 1 386 . 1 1 37 37 TYR HD2 H 1 7.03 0.02 . 1 . . . . 182 TYR HD2 . 7288 1 387 . 1 1 37 37 TYR HE1 H 1 6.78 0.02 . 1 . . . . 182 TYR HE1 . 7288 1 388 . 1 1 37 37 TYR HE2 H 1 6.78 0.02 . 1 . . . . 182 TYR HE2 . 7288 1 389 . 1 1 37 37 TYR CA C 13 60.5 0.2 . 1 . . . . 182 TYR CA . 7288 1 390 . 1 1 37 37 TYR CB C 13 36.7 0.2 . 1 . . . . 182 TYR CB . 7288 1 391 . 1 1 37 37 TYR N N 15 117.2 0.2 . 1 . . . . 182 TYR N . 7288 1 392 . 1 1 38 38 ILE H H 1 8.35 0.02 . 1 . . . . 183 ILE HN . 7288 1 393 . 1 1 38 38 ILE HA H 1 3.47 0.02 . 1 . . . . 183 ILE HA . 7288 1 394 . 1 1 38 38 ILE HB H 1 2.09 0.02 . 1 . . . . 183 ILE HB . 7288 1 395 . 1 1 38 38 ILE HG12 H 1 1.11 0.02 . 2 . . . . 183 ILE HG12 . 7288 1 396 . 1 1 38 38 ILE HG13 H 1 2.17 0.02 . 2 . . . . 183 ILE HG13 . 7288 1 397 . 1 1 38 38 ILE HG21 H 1 0.86 0.02 . 1 . . . . 183 ILE HG2 . 7288 1 398 . 1 1 38 38 ILE HG22 H 1 0.86 0.02 . 1 . . . . 183 ILE HG2 . 7288 1 399 . 1 1 38 38 ILE HG23 H 1 0.86 0.02 . 1 . . . . 183 ILE HG2 . 7288 1 400 . 1 1 38 38 ILE HD11 H 1 0.88 0.02 . 1 . . . . 183 ILE HD1 . 7288 1 401 . 1 1 38 38 ILE HD12 H 1 0.88 0.02 . 1 . . . . 183 ILE HD1 . 7288 1 402 . 1 1 38 38 ILE HD13 H 1 0.88 0.02 . 1 . . . . 183 ILE HD1 . 7288 1 403 . 1 1 38 38 ILE CA C 13 63.7 0.2 . 1 . . . . 183 ILE CA . 7288 1 404 . 1 1 38 38 ILE CB C 13 36.3 0.2 . 1 . . . . 183 ILE CB . 7288 1 405 . 1 1 38 38 ILE CG1 C 13 27.3 0.2 . 1 . . . . 183 ILE CG1 . 7288 1 406 . 1 1 38 38 ILE CG2 C 13 15.3 0.2 . 1 . . . . 183 ILE CG2 . 7288 1 407 . 1 1 38 38 ILE CD1 C 13 12.5 0.2 . 1 . . . . 183 ILE CD1 . 7288 1 408 . 1 1 38 38 ILE N N 15 116.8 0.2 . 1 . . . . 183 ILE N . 7288 1 409 . 1 1 39 39 GLY H H 1 9.32 0.02 . 1 . . . . 184 GLY HN . 7288 1 410 . 1 1 39 39 GLY HA2 H 1 3.71 0.02 . 2 . . . . 184 GLY HA1 . 7288 1 411 . 1 1 39 39 GLY HA3 H 1 4.04 0.02 . 2 . . . . 184 GLY HA2 . 7288 1 412 . 1 1 39 39 GLY CA C 13 46.1 0.2 . 1 . . . . 184 GLY CA . 7288 1 413 . 1 1 39 39 GLY N N 15 104.0 0.2 . 1 . . . . 184 GLY N . 7288 1 414 . 1 1 40 40 ARG H H 1 8.21 0.02 . 1 . . . . 185 ARG HN . 7288 1 415 . 1 1 40 40 ARG HA H 1 4.05 0.02 . 1 . . . . 185 ARG HA . 7288 1 416 . 1 1 40 40 ARG HB2 H 1 1.82 0.02 . 1 . . . . 185 ARG HB2 . 7288 1 417 . 1 1 40 40 ARG HB3 H 1 1.82 0.02 . 1 . . . . 185 ARG HB3 . 7288 1 418 . 1 1 40 40 ARG HG2 H 1 1.71 0.02 . 1 . . . . 185 ARG HG2 . 7288 1 419 . 1 1 40 40 ARG HG3 H 1 1.71 0.02 . 1 . . . . 185 ARG HG3 . 7288 1 420 . 1 1 40 40 ARG HD2 H 1 3.11 0.02 . 2 . . . . 185 ARG HD2 . 7288 1 421 . 1 1 40 40 ARG HD3 H 1 3.18 0.02 . 2 . . . . 185 ARG HD3 . 7288 1 422 . 1 1 40 40 ARG HE H 1 7.50 0.02 . 1 . . . . 185 ARG HE . 7288 1 423 . 1 1 40 40 ARG CA C 13 56.2 0.2 . 1 . . . . 185 ARG CA . 7288 1 424 . 1 1 40 40 ARG CB C 13 28.1 0.2 . 1 . . . . 185 ARG CB . 7288 1 425 . 1 1 40 40 ARG CG C 13 25.5 0.2 . 1 . . . . 185 ARG CG . 7288 1 426 . 1 1 40 40 ARG CD C 13 41.5 0.2 . 1 . . . . 185 ARG CD . 7288 1 427 . 1 1 40 40 ARG N N 15 116.7 0.2 . 1 . . . . 185 ARG N . 7288 1 428 . 1 1 40 40 ARG NE N 15 84.3 0.2 . 1 . . . . 185 ARG NE . 7288 1 429 . 1 1 41 41 ARG H H 1 7.76 0.02 . 1 . . . . 186 ARG HN . 7288 1 430 . 1 1 41 41 ARG HA H 1 4.22 0.02 . 1 . . . . 186 ARG HA . 7288 1 431 . 1 1 41 41 ARG HB2 H 1 1.67 0.02 . 2 . . . . 186 ARG HB2 . 7288 1 432 . 1 1 41 41 ARG HB3 H 1 1.82 0.02 . 2 . . . . 186 ARG HB3 . 7288 1 433 . 1 1 41 41 ARG HG2 H 1 1.43 0.02 . 1 . . . . 186 ARG HG2 . 7288 1 434 . 1 1 41 41 ARG HG3 H 1 1.43 0.02 . 1 . . . . 186 ARG HG3 . 7288 1 435 . 1 1 41 41 ARG HD2 H 1 2.93 0.02 . 1 . . . . 186 ARG HD2 . 7288 1 436 . 1 1 41 41 ARG HD3 H 1 2.93 0.02 . 1 . . . . 186 ARG HD3 . 7288 1 437 . 1 1 41 41 ARG HE H 1 7.37 0.02 . 1 . . . . 186 ARG HE . 7288 1 438 . 1 1 41 41 ARG CA C 13 54.7 0.2 . 1 . . . . 186 ARG CA . 7288 1 439 . 1 1 41 41 ARG CG C 13 25.1 0.2 . 1 . . . . 186 ARG CG . 7288 1 440 . 1 1 41 41 ARG CD C 13 40.4 0.2 . 1 . . . . 186 ARG CD . 7288 1 441 . 1 1 41 41 ARG N N 15 116.0 0.2 . 1 . . . . 186 ARG N . 7288 1 442 . 1 1 41 41 ARG NE N 15 84.5 0.2 . 1 . . . . 186 ARG NE . 7288 1 443 . 1 1 42 42 LEU H H 1 7.74 0.02 . 1 . . . . 187 LEU HN . 7288 1 444 . 1 1 42 42 LEU HA H 1 4.36 0.02 . 1 . . . . 187 LEU HA . 7288 1 445 . 1 1 42 42 LEU HB2 H 1 1.66 0.02 . 2 . . . . 187 LEU HB2 . 7288 1 446 . 1 1 42 42 LEU HB3 H 1 1.86 0.02 . 2 . . . . 187 LEU HB3 . 7288 1 447 . 1 1 42 42 LEU HD11 H 1 0.87 0.02 . 2 . . . . 187 LEU HD1 . 7288 1 448 . 1 1 42 42 LEU HD12 H 1 0.87 0.02 . 2 . . . . 187 LEU HD1 . 7288 1 449 . 1 1 42 42 LEU HD13 H 1 0.87 0.02 . 2 . . . . 187 LEU HD1 . 7288 1 450 . 1 1 42 42 LEU HD21 H 1 0.87 0.02 . 2 . . . . 187 LEU HD2 . 7288 1 451 . 1 1 42 42 LEU HD22 H 1 0.87 0.02 . 2 . . . . 187 LEU HD2 . 7288 1 452 . 1 1 42 42 LEU HD23 H 1 0.87 0.02 . 2 . . . . 187 LEU HD2 . 7288 1 453 . 1 1 42 42 LEU CA C 13 53.7 0.2 . 1 . . . . 187 LEU CA . 7288 1 454 . 1 1 42 42 LEU CB C 13 40.4 0.2 . 1 . . . . 187 LEU CB . 7288 1 455 . 1 1 42 42 LEU CD1 C 13 24.1 0.2 . 1 . . . . 187 LEU CD1 . 7288 1 456 . 1 1 42 42 LEU N N 15 116.6 0.2 . 1 . . . . 187 LEU N . 7288 1 457 . 1 1 43 43 THR H H 1 7.69 0.02 . 1 . . . . 188 THR HN . 7288 1 458 . 1 1 43 43 THR HA H 1 4.46 0.02 . 1 . . . . 188 THR HA . 7288 1 459 . 1 1 43 43 THR HB H 1 4.35 0.02 . 1 . . . . 188 THR HB . 7288 1 460 . 1 1 43 43 THR HG21 H 1 1.28 0.02 . 1 . . . . 188 THR HG2 . 7288 1 461 . 1 1 43 43 THR HG22 H 1 1.28 0.02 . 1 . . . . 188 THR HG2 . 7288 1 462 . 1 1 43 43 THR HG23 H 1 1.28 0.02 . 1 . . . . 188 THR HG2 . 7288 1 463 . 1 1 43 43 THR CA C 13 60.3 0.2 . 1 . . . . 188 THR CA . 7288 1 464 . 1 1 43 43 THR CB C 13 68.0 0.2 . 1 . . . . 188 THR CB . 7288 1 465 . 1 1 43 43 THR CG2 C 13 19.8 0.2 . 1 . . . . 188 THR CG2 . 7288 1 466 . 1 1 43 43 THR N N 15 110.1 0.2 . 1 . . . . 188 THR N . 7288 1 467 . 1 1 44 44 THR H H 1 7.96 0.02 . 1 . . . . 189 THR HN . 7288 1 468 . 1 1 44 44 THR HA H 1 4.46 0.02 . 1 . . . . 189 THR HA . 7288 1 469 . 1 1 44 44 THR HB H 1 4.32 0.02 . 1 . . . . 189 THR HB . 7288 1 470 . 1 1 44 44 THR HG21 H 1 1.24 0.02 . 1 . . . . 189 THR HG2 . 7288 1 471 . 1 1 44 44 THR HG22 H 1 1.24 0.02 . 1 . . . . 189 THR HG2 . 7288 1 472 . 1 1 44 44 THR HG23 H 1 1.24 0.02 . 1 . . . . 189 THR HG2 . 7288 1 473 . 1 1 44 44 THR CA C 13 59.9 0.2 . 1 . . . . 189 THR CA . 7288 1 474 . 1 1 44 44 THR CG2 C 13 19.5 0.2 . 1 . . . . 189 THR CG2 . 7288 1 475 . 1 1 44 44 THR N N 15 113.0 0.2 . 1 . . . . 189 THR N . 7288 1 476 . 1 1 45 45 SER H H 1 7.92 0.02 . 1 . . . . 190 SER HN . 7288 1 477 . 1 1 45 45 SER HA H 1 4.32 0.02 . 1 . . . . 190 SER HA . 7288 1 478 . 1 1 45 45 SER HB2 H 1 3.90 0.02 . 1 . . . . 190 SER HB2 . 7288 1 479 . 1 1 45 45 SER HB3 H 1 3.90 0.02 . 1 . . . . 190 SER HB3 . 7288 1 480 . 1 1 45 45 SER CA C 13 58.2 0.2 . 1 . . . . 190 SER CA . 7288 1 481 . 1 1 45 45 SER CB C 13 63.0 0.2 . 1 . . . . 190 SER CB . 7288 1 482 . 1 1 45 45 SER N N 15 121.1 0.2 . 1 . . . . 190 SER N . 7288 1 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_list_1 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_list_1 _H_exch_rate_list.Entry_ID 7288 _H_exch_rate_list.ID 1 _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $conditions_1 _H_exch_rate_list.Val_units min _H_exch_rate_list.Details 'half-exchange times' _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 1 '1H15N HSQC' 2 $n_labelled isotropic 7288 1 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 1 1 ARG H H 1 . 30 . . . . . . . 7288 1 2 . 1 1 2 2 ASN H H 1 . 30 . . . . . . . 7288 1 3 . 1 1 3 3 THR H H 1 . 30 . . . . . . . 7288 1 4 . 1 1 4 4 SER H H 1 . 30 . . . . . . . 7288 1 5 . 1 1 5 5 VAL H H 1 . 30 . . . . . . . 7288 1 6 . 1 1 6 6 MET H H 1 . 30 . . . . . . . 7288 1 7 . 1 1 7 7 LYS H H 1 . 30 . . . . . . . 7288 1 8 . 1 1 8 8 LYS H H 1 . 30 . . . . . . . 7288 1 9 . 1 1 9 9 GLY H H 1 . 30 . . . . . . . 7288 1 10 . 1 1 10 10 GLY H H 1 . 30 . . . . . . . 7288 1 11 . 1 1 11 11 ILE H H 1 . 30 . . . . . . . 7288 1 12 . 1 1 12 12 PHE H H 1 . 30 . . . . . . . 7288 1 13 . 1 1 13 13 SER H H 1 . 30 . . . . . . . 7288 1 14 . 1 1 14 14 ALA H H 1 . 30 . . . . . . . 7288 1 15 . 1 1 15 15 GLU H H 1 . 30 . . . . . . . 7288 1 16 . 1 1 16 16 PHE H H 1 . 30 . . . . . . . 7288 1 17 . 1 1 17 17 LEU H H 1 . 30 . . . . . . . 7288 1 18 . 1 1 18 18 LYS H H 1 . 30 . . . . . . . 7288 1 19 . 1 1 19 19 VAL H H 1 . 30 . . . . . . . 7288 1 20 . 1 1 20 20 PHE H H 1 . 30 . . . . . . . 7288 1 21 . 1 1 21 21 LEU H H 1 . 30 . . . . . . . 7288 1 22 . 1 1 23 23 SER H H 1 . 30 . . . . . . . 7288 1 23 . 1 1 24 24 LEU H H 1 . 30 . . . . . . . 7288 1 24 . 1 1 25 25 LEU H H 1 . 30 . . . . . . . 7288 1 25 . 1 1 26 26 LEU H H 1 113 . . . . . . . . 7288 1 26 . 1 1 27 27 SER H H 1 445 . . . . . . . . 7288 1 27 . 1 1 28 28 HIS H H 1 46 . . . . . . . . 7288 1 28 . 1 1 29 29 LEU H H 1 12780 . . . . . . . . 7288 1 29 . 1 1 30 30 LEU H H 1 48000 . . . . . . . . 7288 1 30 . 1 1 31 31 ALA H H 1 18360 . . . . . . . . 7288 1 31 . 1 1 32 32 ILE H H 1 70000 . . . . . . . . 7288 1 32 . 1 1 33 33 GLY H H 1 15600 . . . . . . . . 7288 1 33 . 1 1 34 34 LEU H H 1 70000 . . . . . . . . 7288 1 34 . 1 1 35 35 GLY H H 1 14580 . . . . . . . . 7288 1 35 . 1 1 36 36 ILE H H 1 12480 . . . . . . . . 7288 1 36 . 1 1 37 37 TYR H H 1 13020 . . . . . . . . 7288 1 37 . 1 1 38 38 ILE H H 1 18180 . . . . . . . . 7288 1 38 . 1 1 39 39 GLY H H 1 574 . . . . . . . . 7288 1 39 . 1 1 40 40 ARG H H 1 . 30 . . . . . . . 7288 1 40 . 1 1 41 41 ARG H H 1 . 30 . . . . . . . 7288 1 41 . 1 1 42 42 LEU H H 1 . 30 . . . . . . . 7288 1 42 . 1 1 43 43 THR H H 1 . 30 . . . . . . . 7288 1 43 . 1 1 44 44 THR H H 1 . 30 . . . . . . . 7288 1 44 . 1 1 45 45 SER H H 1 . 30 . . . . . . . 7288 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_1 _Heteronucl_NOE_list.Entry_ID 7288 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type N15 _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '1H15N HSQC' 2 $n_labelled isotropic 7288 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 THR N N 15 . 1 1 3 3 THR H H 1 -1.035 -0.015 . . . . . . . . . . 7288 1 2 . 1 1 4 4 SER N N 15 . 1 1 4 4 SER H H 1 -0.797 -0.010 . . . . . . . . . . 7288 1 3 . 1 1 5 5 VAL N N 15 . 1 1 5 5 VAL H H 1 -0.454 -0.006 . . . . . . . . . . 7288 1 4 . 1 1 6 6 MET N N 15 . 1 1 6 6 MET H H 1 -0.429 -0.008 . . . . . . . . . . 7288 1 5 . 1 1 7 7 LYS N N 15 . 1 1 7 7 LYS H H 1 -0.331 -0.008 . . . . . . . . . . 7288 1 6 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 -0.090 -0.006 . . . . . . . . . . 7288 1 7 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 -0.063 -0.007 . . . . . . . . . . 7288 1 8 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.055 0.006 . . . . . . . . . . 7288 1 9 . 1 1 11 11 ILE N N 15 . 1 1 11 11 ILE H H 1 0.329 0.009 . . . . . . . . . . 7288 1 10 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.394 0.010 . . . . . . . . . . 7288 1 11 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.592 0.020 . . . . . . . . . . 7288 1 12 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.555 0.017 . . . . . . . . . . 7288 1 13 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.560 0.021 . . . . . . . . . . 7288 1 14 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.621 0.020 . . . . . . . . . . 7288 1 15 . 1 1 19 19 VAL N N 15 . 1 1 19 19 VAL H H 1 0.648 0.040 . . . . . . . . . . 7288 1 16 . 1 1 20 20 PHE N N 15 . 1 1 20 20 PHE H H 1 0.656 0.057 . . . . . . . . . . 7288 1 17 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.635 0.038 . . . . . . . . . . 7288 1 18 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.665 0.032 . . . . . . . . . . 7288 1 19 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.730 0.056 . . . . . . . . . . 7288 1 20 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.851 0.056 . . . . . . . . . . 7288 1 21 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.772 0.069 . . . . . . . . . . 7288 1 22 . 1 1 28 28 HIS N N 15 . 1 1 28 28 HIS H H 1 0.824 0.054 . . . . . . . . . . 7288 1 23 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.789 0.036 . . . . . . . . . . 7288 1 24 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.736 0.035 . . . . . . . . . . 7288 1 25 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.825 0.047 . . . . . . . . . . 7288 1 26 . 1 1 32 32 ILE N N 15 . 1 1 32 32 ILE H H 1 0.820 0.044 . . . . . . . . . . 7288 1 27 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.778 0.038 . . . . . . . . . . 7288 1 28 . 1 1 34 34 LEU N N 15 . 1 1 34 34 LEU H H 1 0.680 0.029 . . . . . . . . . . 7288 1 29 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.762 0.036 . . . . . . . . . . 7288 1 30 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.713 0.043 . . . . . . . . . . 7288 1 31 . 1 1 37 37 TYR N N 15 . 1 1 37 37 TYR H H 1 0.792 0.035 . . . . . . . . . . 7288 1 32 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.749 0.040 . . . . . . . . . . 7288 1 33 . 1 1 40 40 ARG N N 15 . 1 1 40 40 ARG H H 1 0.678 0.022 . . . . . . . . . . 7288 1 34 . 1 1 41 41 ARG N N 15 . 1 1 41 41 ARG H H 1 0.704 0.029 . . . . . . . . . . 7288 1 35 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 0.603 0.025 . . . . . . . . . . 7288 1 36 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.350 0.010 . . . . . . . . . . 7288 1 37 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.137 0.006 . . . . . . . . . . 7288 1 38 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 -0.348 -0.004 . . . . . . . . . . 7288 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_1 _Heteronucl_T1_list.Entry_ID 7288 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type N15 _Heteronucl_T1_list.T1_val_units s _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 . . 2 $n_labelled isotropic 7288 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 THR N N 15 0.948 0.086 . . . . . 7288 1 2 . 1 1 4 4 SER N N 15 0.841 0.064 . . . . . 7288 1 3 . 1 1 5 5 VAL N N 15 0.791 0.035 . . . . . 7288 1 4 . 1 1 6 6 MET N N 15 0.744 0.024 . . . . . 7288 1 5 . 1 1 7 7 LYS N N 15 0.691 0.032 . . . . . 7288 1 6 . 1 1 8 8 LYS N N 15 0.711 0.035 . . . . . 7288 1 7 . 1 1 9 9 GLY N N 15 0.691 0.037 . . . . . 7288 1 8 . 1 1 10 10 GLY N N 15 0.676 0.030 . . . . . 7288 1 9 . 1 1 11 11 ILE N N 15 0.730 0.009 . . . . . 7288 1 10 . 1 1 12 12 PHE N N 15 0.692 0.008 . . . . . 7288 1 11 . 1 1 14 14 ALA N N 15 0.908 0.026 . . . . . 7288 1 12 . 1 1 15 15 GLU N N 15 0.999 0.019 . . . . . 7288 1 13 . 1 1 16 16 PHE N N 15 0.999 0.017 . . . . . 7288 1 14 . 1 1 17 17 LEU N N 15 1.121 0.015 . . . . . 7288 1 15 . 1 1 19 19 VAL N N 15 1.126 0.019 . . . . . 7288 1 16 . 1 1 20 20 PHE N N 15 1.110 0.037 . . . . . 7288 1 17 . 1 1 21 21 LEU N N 15 1.325 0.027 . . . . . 7288 1 18 . 1 1 23 23 SER N N 15 1.416 0.033 . . . . . 7288 1 19 . 1 1 24 24 LEU N N 15 1.383 0.036 . . . . . 7288 1 20 . 1 1 26 26 LEU N N 15 1.384 0.064 . . . . . 7288 1 21 . 1 1 27 27 SER N N 15 1.480 0.061 . . . . . 7288 1 22 . 1 1 28 28 HIS N N 15 1.309 0.052 . . . . . 7288 1 23 . 1 1 29 29 LEU N N 15 1.501 0.057 . . . . . 7288 1 24 . 1 1 30 30 LEU N N 15 1.409 0.030 . . . . . 7288 1 25 . 1 1 31 31 ALA N N 15 1.439 0.052 . . . . . 7288 1 26 . 1 1 32 32 ILE N N 15 1.504 0.036 . . . . . 7288 1 27 . 1 1 33 33 GLY N N 15 1.447 0.031 . . . . . 7288 1 28 . 1 1 34 34 LEU N N 15 1.369 0.033 . . . . . 7288 1 29 . 1 1 35 35 GLY N N 15 1.450 0.025 . . . . . 7288 1 30 . 1 1 36 36 ILE N N 15 1.373 0.040 . . . . . 7288 1 31 . 1 1 37 37 TYR N N 15 1.379 0.030 . . . . . 7288 1 32 . 1 1 39 39 GLY N N 15 1.391 0.043 . . . . . 7288 1 33 . 1 1 40 40 ARG N N 15 1.247 0.023 . . . . . 7288 1 34 . 1 1 41 41 ARG N N 15 1.297 0.023 . . . . . 7288 1 35 . 1 1 42 42 LEU N N 15 1.125 0.020 . . . . . 7288 1 36 . 1 1 43 43 THR N N 15 0.757 0.011 . . . . . 7288 1 37 . 1 1 44 44 THR N N 15 0.700 0.016 . . . . . 7288 1 38 . 1 1 45 45 SER N N 15 0.862 0.008 . . . . . 7288 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_list_1 _Heteronucl_T2_list.Entry_ID 7288 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type N15 _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _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 . . 2 $n_labelled isotropic 7288 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 THR N N 15 0.570 0.012 . . . . . . . 7288 1 2 . 1 1 4 4 SER N N 15 0.464 0.007 . . . . . . . 7288 1 3 . 1 1 5 5 VAL N N 15 0.386 0.003 . . . . . . . 7288 1 4 . 1 1 6 6 MET N N 15 0.316 0.005 . . . . . . . 7288 1 5 . 1 1 7 7 LYS N N 15 0.302 0.004 . . . . . . . 7288 1 6 . 1 1 8 8 LYS N N 15 0.269 0.007 . . . . . . . 7288 1 7 . 1 1 9 9 GLY N N 15 0.267 0.003 . . . . . . . 7288 1 8 . 1 1 10 10 GLY N N 15 0.236 0.003 . . . . . . . 7288 1 9 . 1 1 11 11 ILE N N 15 0.118 0.001 . . . . . . . 7288 1 10 . 1 1 12 12 PHE N N 15 0.102 0.001 . . . . . . . 7288 1 11 . 1 1 14 14 ALA N N 15 0.059 0.001 . . . . . . . 7288 1 12 . 1 1 15 15 GLU N N 15 0.053 0.001 . . . . . . . 7288 1 13 . 1 1 16 16 PHE N N 15 0.056 0.001 . . . . . . . 7288 1 14 . 1 1 17 17 LEU N N 15 0.047 0.001 . . . . . . . 7288 1 15 . 1 1 19 19 VAL N N 15 0.045 0.002 . . . . . . . 7288 1 16 . 1 1 20 20 PHE N N 15 0.039 0.003 . . . . . . . 7288 1 17 . 1 1 21 21 LEU N N 15 0.038 0.002 . . . . . . . 7288 1 18 . 1 1 23 23 SER N N 15 0.043 0.002 . . . . . . . 7288 1 19 . 1 1 24 24 LEU N N 15 0.035 0.002 . . . . . . . 7288 1 20 . 1 1 26 26 LEU N N 15 0.040 0.002 . . . . . . . 7288 1 21 . 1 1 27 27 SER N N 15 0.038 0.004 . . . . . . . 7288 1 22 . 1 1 28 28 HIS N N 15 0.043 0.005 . . . . . . . 7288 1 23 . 1 1 29 29 LEU N N 15 0.038 0.002 . . . . . . . 7288 1 24 . 1 1 30 30 LEU N N 15 0.042 0.001 . . . . . . . 7288 1 25 . 1 1 31 31 ALA N N 15 0.039 0.002 . . . . . . . 7288 1 26 . 1 1 32 32 ILE N N 15 0.037 0.002 . . . . . . . 7288 1 27 . 1 1 33 33 GLY N N 15 0.040 0.001 . . . . . . . 7288 1 28 . 1 1 34 34 LEU N N 15 0.038 0.001 . . . . . . . 7288 1 29 . 1 1 35 35 GLY N N 15 0.042 0.002 . . . . . . . 7288 1 30 . 1 1 36 36 ILE N N 15 0.040 0.002 . . . . . . . 7288 1 31 . 1 1 37 37 TYR N N 15 0.040 0.002 . . . . . . . 7288 1 32 . 1 1 39 39 GLY N N 15 0.041 0.001 . . . . . . . 7288 1 33 . 1 1 40 40 ARG N N 15 0.042 0.001 . . . . . . . 7288 1 34 . 1 1 41 41 ARG N N 15 0.043 0.001 . . . . . . . 7288 1 35 . 1 1 42 42 LEU N N 15 0.051 0.001 . . . . . . . 7288 1 36 . 1 1 43 43 THR N N 15 0.100 0.001 . . . . . . . 7288 1 37 . 1 1 44 44 THR N N 15 0.174 0.001 . . . . . . . 7288 1 38 . 1 1 45 45 SER N N 15 0.422 0.003 . . . . . . . 7288 1 stop_ save_