data_15144 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15144 _Entry.Title ; Side-chain relaxation in SH3 domain from alpha-spectrin measured at multiple temperatures ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-24 _Entry.Accession_date 2007-02-24 _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 solution _Entry.Details 'Methyl 2H relaxation data measured at 600 MHz,temperatures 10C, 17C, 24C, and 30C in two samples of alpha-spectrin SH3 domain(the samples derived from glucose- and pyruvate-based media). Order parameters and fast-motion correlation times for methyl sites in alpha-spectrin SH3' _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 Yi Xue . . . 15144 2 Maria Pavlova . S. . 15144 3 Yaroslav Ryabov . E. . 15144 4 Bernd Reif . . . 15144 5 Nikolai Skrynnikov . R. . 15144 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_T1_relaxation 8 15144 heteronucl_T2_relaxation 8 15144 order_parameters 8 15144 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'order parameters' 244 15144 'T1 relaxation values' 252 15144 'T2 relaxation values' 252 15144 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 3 . . 2011-03-28 2011-03-27 update BMRB 'comp_index_ID values added in order parameter save frames' 15144 2 . . 2008-07-02 2007-02-24 update BMRB 'complete entry citation' 15144 1 . . 2007-05-10 2007-02-24 original author 'original release' 15144 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1AEY 'NMR structure' 15144 PDB 1SHG 'crystallographic structure' 15144 PDB 1U06 'crystallographic structure' 15144 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15144 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17488010 _Citation.Full_citation . _Citation.Title 'Methyl rotation barriers in proteins from 2H relaxation data. Implications for protein structure' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 129 _Citation.Journal_issue 21 _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 6827 _Citation.Page_last 6838 _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 Yi Xue . . . 15144 1 2 Maria Pavlova . S. . 15144 1 3 Yaroslav Ryabov . E. . 15144 1 4 Bernd Reif . . . 15144 1 5 Nikolai Skrynnikov . R. . 15144 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alpha-spectrin SH3 domain' 15144 1 'deuterium relaxation' 15144 1 'hydrophobic core packing' 15144 1 'internal dynamics in proteins' 15144 1 'methyl groups' 15144 1 'molecular dynamics simulations' 15144 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15144 _Assembly.ID 1 _Assembly.Name 'SH3 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _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 'unit 1' 1 $SH3_domain_from_chicken_alpha-spectrin A . yes native no no . . . 15144 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH3_domain_from_chicken_alpha-spectrin _Entity.Sf_category entity _Entity.Sf_framecode SH3_domain_from_chicken_alpha-spectrin _Entity.Entry_ID 15144 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SH3_domain_from_chicken_alpha-spectrin _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 ; MDETGKELVLALYDYQEKSP REVTMKKGDILTLLNSTNKD WWKVEVNDRQGFVPAAYVKK LD ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2015-11-26 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 15013 . SPCp41 . . . . . 70.97 77 97.73 97.73 4.71e-22 . . . . 15144 1 2 no BMRB 17915 . SH3 . . . . . 100.00 62 100.00 100.00 4.38e-36 . . . . 15144 1 3 no PDB 1AEY . "Alpha-Spectrin Src Homology 3 Domain, Solution Nmr, 15 Structures" . . . . . 100.00 62 100.00 100.00 4.38e-36 . . . . 15144 1 4 no PDB 1BK2 . "A-Spectrin Sh3 Domain D48g Mutant" . . . . . 91.94 57 98.25 98.25 4.19e-31 . . . . 15144 1 5 no PDB 1HD3 . "A-Spectrin Sh3 Domain F52y Mutant" . . . . . 100.00 62 98.39 100.00 1.70e-35 . . . . 15144 1 6 no PDB 1M8M . "Solid-State Mas Nmr Structure Of The A-Spectrin Sh3 Domain" . . . . . 100.00 62 100.00 100.00 4.38e-36 . . . . 15144 1 7 no PDB 1NEG . "Crystal Structure Analysis Of N-And C-Terminal Labeled Sh3- Domain Of Alpha-Chicken Spectrin" . . . . . 96.77 83 100.00 100.00 4.30e-35 . . . . 15144 1 8 no PDB 1PWT . "Thermodynamic Analysis Of Alpha-Spectrin Sh3 And Two Of Its Circular Permutants With Different Loop Lengths: Discerning The Rea" . . . . . 95.16 61 100.00 100.00 9.67e-34 . . . . 15144 1 9 no PDB 1QKW . "Alpha-Spectrin Src Homology 3 Domain, N47g Mutant In The Distal Loop" . . . . . 98.39 62 98.36 98.36 3.57e-34 . . . . 15144 1 10 no PDB 1QKX . "Alpha-Spectrin Src Homology 3 Domain, N47a Mutant In The Distal Loop" . . . . . 98.39 62 98.36 98.36 4.02e-34 . . . . 15144 1 11 no PDB 1SHG . "Crystal Structure Of A Src-Homology 3 (Sh3) Domain" . . . . . 100.00 62 100.00 100.00 4.38e-36 . . . . 15144 1 12 no PDB 1U06 . "Crystal Structure Of Chicken Alpha-Spectrin Sh3 Domain" . . . . . 100.00 62 100.00 100.00 4.38e-36 . . . . 15144 1 13 no PDB 2CDT . "Alpha-Spectrin Sh3 Domain A56s Mutant" . . . . . 100.00 62 98.39 100.00 1.30e-35 . . . . 15144 1 14 no PDB 2F2V . "Alpha-Spectrin Sh3 Domain A56g Mutant" . . . . . 100.00 62 98.39 98.39 2.05e-35 . . . . 15144 1 15 no PDB 2F2W . "Alpha-Spectrin Sh3 Domain R21a Mutant" . . . . . 100.00 62 98.39 98.39 4.15e-35 . . . . 15144 1 16 no PDB 2F2X . "Alpha-Spectrin Sh3 Domain R21g Mutant" . . . . . 100.00 62 98.39 98.39 6.92e-35 . . . . 15144 1 17 no PDB 2JM8 . "R21a Spc-Sh3 Free" . . . . . 100.00 62 98.39 98.39 4.15e-35 . . . . 15144 1 18 no PDB 2JM9 . "R21a Spc-Sh3 Bound" . . . . . 100.00 62 98.39 98.39 4.15e-35 . . . . 15144 1 19 no PDB 2JMA . "R21a Spc-Sh3:p41 Complex" . . . . . 100.00 62 98.39 98.39 4.15e-35 . . . . 15144 1 20 no PDB 2JMC . "Chimer Between Spc-Sh3 And P41" . . . . . 70.97 77 97.73 97.73 4.71e-22 . . . . 15144 1 21 no PDB 2LJ3 . "Pfbd: High-Throughput Strategy Of Backbone Fold Determination For Small Well-Folded Proteins In Less Than A Day" . . . . . 100.00 63 100.00 100.00 4.49e-36 . . . . 15144 1 22 no PDB 2NUZ . "Crystal Structure Of Alpha Spectrin Sh3 Domain Measured At Room Temperature" . . . . . 100.00 62 100.00 100.00 4.38e-36 . . . . 15144 1 23 no PDB 3M0P . "Crystal Structure Of The R21d Mutant Of Alpha-spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 4." . . . . . 100.00 62 98.39 98.39 7.39e-35 . . . . 15144 1 24 no PDB 3M0Q . "Crystal Structure Of The R21d Mutant Of Alpha-Spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 5." . . . . . 100.00 62 98.39 98.39 7.39e-35 . . . . 15144 1 25 no PDB 3M0R . "Crystal Structure Of The R21d Mutant Of Alpha-Spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 6." . . . . . 100.00 62 98.39 98.39 7.39e-35 . . . . 15144 1 26 no PDB 3M0S . "Crystal Structure Of The R21d Mutant Of Alpha-Spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 7" . . . . . 91.94 57 98.25 98.25 8.12e-31 . . . . 15144 1 27 no PDB 3M0T . "Crystal Structure Of The R21d Mutant Of Alpha-Spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 9." . . . . . 100.00 62 98.39 98.39 7.39e-35 . . . . 15144 1 28 no PDB 3M0U . "Crystal Structure Of The R21d Mutant Of Alpha-spectrin Sh3 Domain. Hexagonal Crystal Obtained In Sodium Formate At Ph 6.5" . . . . . 100.00 62 98.39 98.39 7.39e-35 . . . . 15144 1 29 no PDB 3THK . "Structure Of Sh3 Chimera With A Type Ii Ligand Linked To The Chain C- Terminal" . . . . . 95.16 73 100.00 100.00 7.69e-34 . . . . 15144 1 30 no PDB 4F16 . "Crystal Structure Of The Alpha Spectrin Sh3 Domain At Ph 5" . . . . . 100.00 62 100.00 100.00 4.38e-36 . . . . 15144 1 31 no PDB 4F17 . "Crystal Structure Of The Alpha Spectrin Sh3 Domain At Ph 9" . . . . . 100.00 62 100.00 100.00 4.38e-36 . . . . 15144 1 32 no DBJ BAD52438 . "non-erythrocytic spectrin alpha [Homo sapiens]" . . . . . 98.39 2452 100.00 100.00 1.10e-32 . . . . 15144 1 33 no DBJ BAD93097 . "spectrin, alpha, non-erythrocytic 1 (alpha-fodrin) variant [Homo sapiens]" . . . . . 98.39 2506 100.00 100.00 1.26e-32 . . . . 15144 1 34 no DBJ BAG57892 . "unnamed protein product [Homo sapiens]" . . . . . 98.39 1312 100.00 100.00 1.00e-32 . . . . 15144 1 35 no DBJ BAG62120 . "unnamed protein product [Homo sapiens]" . . . . . 98.39 1176 100.00 100.00 7.61e-33 . . . . 15144 1 36 no DBJ BAG72795 . "spectrin, alpha, non-erythrocytic 1 [synthetic construct]" . . . . . 98.39 2472 100.00 100.00 1.09e-32 . . . . 15144 1 37 no EMBL CAA29435 . "unnamed protein product [Xenopus laevis]" . . . . . 91.94 454 100.00 100.00 6.20e-31 . . . . 15144 1 38 no EMBL CAA32663 . "spectrin alpha chain, partial [Gallus gallus]" . . . . . 98.39 2449 100.00 100.00 1.24e-32 . . . . 15144 1 39 no EMBL CAA62350 . "alphaII spectrin [Rattus norvegicus]" . . . . . 98.39 2472 100.00 100.00 1.12e-32 . . . . 15144 1 40 no EMBL CAB53710 . "hypothetical protein [Homo sapiens]" . . . . . 54.84 1325 100.00 100.00 1.54e-11 . . . . 15144 1 41 no EMBL CAF90367 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 98.39 1589 98.36 98.36 1.90e-29 . . . . 15144 1 42 no GB AAA51702 . "alpha-fodrin, partial [Homo sapiens]" . . . . . 98.39 920 100.00 100.00 5.98e-33 . . . . 15144 1 43 no GB AAA51790 . "nonerythroid alpha-spectrin [Homo sapiens]" . . . . . 98.39 2472 100.00 100.00 1.10e-32 . . . . 15144 1 44 no GB AAA52468 . "alpha-fodrin, partial [Homo sapiens]" . . . . . 98.39 920 100.00 100.00 5.98e-33 . . . . 15144 1 45 no GB AAB41498 . "alpha II spectrin [Homo sapiens]" . . . . . 98.39 2477 100.00 100.00 1.10e-32 . . . . 15144 1 46 no GB AAB60364 . "alpha II spectrin, partial [Homo sapiens]" . . . . . 98.39 719 100.00 100.00 3.26e-33 . . . . 15144 1 47 no REF NP_001036003 . "spectrin alpha chain, non-erythrocytic 1 [Gallus gallus]" . . . . . 98.39 2477 100.00 100.00 1.29e-32 . . . . 15144 1 48 no REF NP_001090674 . "spectrin alpha chain, non-erythrocytic 1 [Xenopus (Silurana) tropicalis]" . . . . . 98.39 2471 100.00 100.00 1.31e-32 . . . . 15144 1 49 no REF NP_001091958 . "spectrin alpha chain, non-erythrocytic 1 [Danio rerio]" . . . . . 98.39 2480 100.00 100.00 1.56e-32 . . . . 15144 1 50 no REF NP_001107628 . "spectrin alpha chain, non-erythrocytic 1 [Bos taurus]" . . . . . 98.39 2472 100.00 100.00 1.12e-32 . . . . 15144 1 51 no REF NP_001123910 . "spectrin alpha chain, non-erythrocytic 1 isoform 1 [Homo sapiens]" . . . . . 98.39 2477 100.00 100.00 1.10e-32 . . . . 15144 1 52 no SP P07751 . "RecName: Full=Spectrin alpha chain, non-erythrocytic 1; AltName: Full=Alpha-II spectrin; AltName: Full=Fodrin alpha chain" . . . . . 98.39 2477 100.00 100.00 1.29e-32 . . . . 15144 1 53 no SP P16086 . "RecName: Full=Spectrin alpha chain, non-erythrocytic 1; AltName: Full=Alpha-II spectrin; AltName: Full=Fodrin alpha chain" . . . . . 98.39 2472 100.00 100.00 1.09e-32 . . . . 15144 1 54 no SP P16546 . "RecName: Full=Spectrin alpha chain, non-erythrocytic 1; AltName: Full=Alpha-II spectrin; AltName: Full=Fodrin alpha chain" . . . . . 98.39 2472 100.00 100.00 1.14e-32 . . . . 15144 1 55 no SP Q13813 . "RecName: Full=Spectrin alpha chain, non-erythrocytic 1; AltName: Full=Alpha-II spectrin; AltName: Full=Fodrin alpha chain; AltN" . . . . . 98.39 2472 100.00 100.00 1.09e-32 . . . . 15144 1 56 no TPG DAA24188 . "TPA: spectrin, alpha, non-erythrocytic 1 (alpha-fodrin) [Bos taurus]" . . . . . 98.39 2472 100.00 100.00 1.12e-32 . . . . 15144 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 . MET . 15144 1 2 . ASP . 15144 1 3 . GLU . 15144 1 4 . THR . 15144 1 5 . GLY . 15144 1 6 . LYS . 15144 1 7 . GLU . 15144 1 8 . LEU . 15144 1 9 . VAL . 15144 1 10 . LEU . 15144 1 11 . ALA . 15144 1 12 . LEU . 15144 1 13 . TYR . 15144 1 14 . ASP . 15144 1 15 . TYR . 15144 1 16 . GLN . 15144 1 17 . GLU . 15144 1 18 . LYS . 15144 1 19 . SER . 15144 1 20 . PRO . 15144 1 21 . ARG . 15144 1 22 . GLU . 15144 1 23 . VAL . 15144 1 24 . THR . 15144 1 25 . MET . 15144 1 26 . LYS . 15144 1 27 . LYS . 15144 1 28 . GLY . 15144 1 29 . ASP . 15144 1 30 . ILE . 15144 1 31 . LEU . 15144 1 32 . THR . 15144 1 33 . LEU . 15144 1 34 . LEU . 15144 1 35 . ASN . 15144 1 36 . SER . 15144 1 37 . THR . 15144 1 38 . ASN . 15144 1 39 . LYS . 15144 1 40 . ASP . 15144 1 41 . TRP . 15144 1 42 . TRP . 15144 1 43 . LYS . 15144 1 44 . VAL . 15144 1 45 . GLU . 15144 1 46 . VAL . 15144 1 47 . ASN . 15144 1 48 . ASP . 15144 1 49 . ARG . 15144 1 50 . GLN . 15144 1 51 . GLY . 15144 1 52 . PHE . 15144 1 53 . VAL . 15144 1 54 . PRO . 15144 1 55 . ALA . 15144 1 56 . ALA . 15144 1 57 . TYR . 15144 1 58 . VAL . 15144 1 59 . LYS . 15144 1 60 . LYS . 15144 1 61 . LEU . 15144 1 62 . ASP . 15144 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15144 1 . ASP 2 2 15144 1 . GLU 3 3 15144 1 . THR 4 4 15144 1 . GLY 5 5 15144 1 . LYS 6 6 15144 1 . GLU 7 7 15144 1 . LEU 8 8 15144 1 . VAL 9 9 15144 1 . LEU 10 10 15144 1 . ALA 11 11 15144 1 . LEU 12 12 15144 1 . TYR 13 13 15144 1 . ASP 14 14 15144 1 . TYR 15 15 15144 1 . GLN 16 16 15144 1 . GLU 17 17 15144 1 . LYS 18 18 15144 1 . SER 19 19 15144 1 . PRO 20 20 15144 1 . ARG 21 21 15144 1 . GLU 22 22 15144 1 . VAL 23 23 15144 1 . THR 24 24 15144 1 . MET 25 25 15144 1 . LYS 26 26 15144 1 . LYS 27 27 15144 1 . GLY 28 28 15144 1 . ASP 29 29 15144 1 . ILE 30 30 15144 1 . LEU 31 31 15144 1 . THR 32 32 15144 1 . LEU 33 33 15144 1 . LEU 34 34 15144 1 . ASN 35 35 15144 1 . SER 36 36 15144 1 . THR 37 37 15144 1 . ASN 38 38 15144 1 . LYS 39 39 15144 1 . ASP 40 40 15144 1 . TRP 41 41 15144 1 . TRP 42 42 15144 1 . LYS 43 43 15144 1 . VAL 44 44 15144 1 . GLU 45 45 15144 1 . VAL 46 46 15144 1 . ASN 47 47 15144 1 . ASP 48 48 15144 1 . ARG 49 49 15144 1 . GLN 50 50 15144 1 . GLY 51 51 15144 1 . PHE 52 52 15144 1 . VAL 53 53 15144 1 . PRO 54 54 15144 1 . ALA 55 55 15144 1 . ALA 56 56 15144 1 . TYR 57 57 15144 1 . VAL 58 58 15144 1 . LYS 59 59 15144 1 . LYS 60 60 15144 1 . LEU 61 61 15144 1 . ASP 62 62 15144 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 15144 _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 $SH3_domain_from_chicken_alpha-spectrin . 9031 organism . 'Gallus gallus' . . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 15144 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 15144 _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 $SH3_domain_from_chicken_alpha-spectrin . 'recombinant technology' 'Escherichia coli' . . . . . 'BL21 DE3' . . . . . . . . . . . . . . . pET3a . . . . . . 15144 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_pyruvate_sample _Sample.Sf_category sample _Sample.Sf_framecode pyruvate_sample _Sample.Entry_ID 15144 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'protein expressed in 100% D2O using 3-[60%-2H,13C]-labeled pyruvate as the sole carbon source' _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 SH3 '[U-15N; U-2H; amide 90%-1H; Leu, Val, Ile-g methyl 40%-1H; Leu, Val, Ile-g methyl 100%-13C]' . . 1 $SH3_domain_from_chicken_alpha-spectrin . . 1.0 . . mM . . . . 15144 1 2 H2O . . . . . . . 90 . . % . . . . 15144 1 3 D2O . . . . . . . 10 . . % . . . . 15144 1 stop_ save_ save_glucose_sample _Sample.Sf_category sample _Sample.Sf_framecode glucose_sample _Sample.Entry_ID 15144 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'protein expressed in 50% D2O using U-13C glucose as the sole carbon source' _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 SH3 '[U-15N; U-13C; 50%-2H, amide 10%-2H]' . . 1 $SH3_domain_from_chicken_alpha-spectrin . . 1.5 . . mM . . . . 15144 2 2 H2O . . . . . . . 90 . . % . . . . 15144 2 3 D2O . . . . . . . 10 . . % . . . . 15144 2 stop_ save_ ####################### # Sample conditions # ####################### save_pyruvate_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pyruvate_sample_condition_1 _Sample_condition_list.Entry_ID 15144 _Sample_condition_list.ID 1 _Sample_condition_list.Details unbuffered 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 3.5 . pH 15144 1 temperature 283 . K 15144 1 stop_ save_ save_pyruvate_sample_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pyruvate_sample_condition_2 _Sample_condition_list.Entry_ID 15144 _Sample_condition_list.ID 2 _Sample_condition_list.Details unbuffered 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 3.5 . pH 15144 2 temperature 290 . K 15144 2 stop_ save_ save_pyruvate_sample_condition_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pyruvate_sample_condition_3 _Sample_condition_list.Entry_ID 15144 _Sample_condition_list.ID 3 _Sample_condition_list.Details unbuffered 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 3.5 . pH 15144 3 temperature 297 . K 15144 3 stop_ save_ save_pyruvate_sample_condition_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pyruvate_sample_condition_4 _Sample_condition_list.Entry_ID 15144 _Sample_condition_list.ID 4 _Sample_condition_list.Details unbuffered 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 3.5 . pH 15144 4 temperature 303 . K 15144 4 stop_ save_ save_glucose_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode glucose_sample_condition_1 _Sample_condition_list.Entry_ID 15144 _Sample_condition_list.ID 5 _Sample_condition_list.Details unbuffered 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 3.5 . pH 15144 5 temperature 283 . K 15144 5 stop_ save_ save_glucose_sample_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode glucose_sample_condition_2 _Sample_condition_list.Entry_ID 15144 _Sample_condition_list.ID 6 _Sample_condition_list.Details unbuffered 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 3.5 . pH 15144 6 temperature 290 . K 15144 6 stop_ save_ save_glucose_sample_condition_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode glucose_sample_condition_3 _Sample_condition_list.Entry_ID 15144 _Sample_condition_list.ID 7 _Sample_condition_list.Details unbuffered 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 3.5 . pH 15144 7 temperature 297 . K 15144 7 stop_ save_ save_glucose_sample_condition_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode glucose_sample_condition_4 _Sample_condition_list.Entry_ID 15144 _Sample_condition_list.ID 8 _Sample_condition_list.Details unbuffered 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 3.5 . pH 15144 8 temperature 303 . K 15144 8 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15144 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15144 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15144 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15144 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15144 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15144 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15144 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15144 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15144 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 15144 _Experiment_list.ID 1 _Experiment_list.Details '2H relaxation data recorded using the latest version of the experiments by Muhnadiram, Kay, et al. (J.Am.Chem.Soc. 117, 11536; J.Am.Chem.Soc. 124, 6439)' 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 'methyl 2H R1' no . . . . . . . . . . 1 $pyruvate_sample isotropic . . 1 $pyruvate_sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15144 1 2 'methyl 2H R2' no . . . . . . . . . . 1 $pyruvate_sample isotropic . . 1 $pyruvate_sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15144 1 3 'methyl 2H R1' no . . . . . . . . . . 2 $glucose_sample isotropic . . 5 $glucose_sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15144 1 4 'methyl 2H R2' no . . . . . . . . . . 2 $glucose_sample isotropic . . 5 $glucose_sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15144 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_2H_R1_pyruvate_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 2H_R1_pyruvate_1 _Heteronucl_T1_list.Entry_ID 15144 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $pyruvate_sample_condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Dz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'temperatures 10C' _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 1 'methyl 2H R1' . . . 15144 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 8 8 LEU HD1 H 2 15.92 00.17 . . . . . 15144 1 2 . 1 1 8 8 LEU HD2 H 2 24.69 00.38 . . . . . 15144 1 3 . 1 1 9 9 VAL HG1 H 2 40.14 00.77 . . . . . 15144 1 4 . 1 1 9 9 VAL HG2 H 2 17.62 00.36 . . . . . 15144 1 5 . 1 1 10 10 LEU HD1 H 2 28.30 00.61 . . . . . 15144 1 6 . 1 1 10 10 LEU HD2 H 2 23.46 00.30 . . . . . 15144 1 7 . 1 1 12 12 LEU HD1 H 2 16.21 00.11 . . . . . 15144 1 8 . 1 1 12 12 LEU HD2 H 2 26.37 00.19 . . . . . 15144 1 9 . 1 1 23 23 VAL HG1 H 2 45.62 00.78 . . . . . 15144 1 10 . 1 1 23 23 VAL HG2 H 2 42.88 00.92 . . . . . 15144 1 11 . 1 1 30 30 ILE HG2 H 2 18.31 00.99 . . . . . 15144 1 12 . 1 1 31 31 LEU HD1 H 2 37.12 00.53 . . . . . 15144 1 13 . 1 1 31 31 LEU HD2 H 2 19.82 00.33 . . . . . 15144 1 14 . 1 1 33 33 LEU HD1 H 2 18.05 00.38 . . . . . 15144 1 15 . 1 1 33 33 LEU HD2 H 2 19.83 00.19 . . . . . 15144 1 16 . 1 1 34 34 LEU HD1 H 2 23.11 00.23 . . . . . 15144 1 17 . 1 1 34 34 LEU HD2 H 2 25.56 00.61 . . . . . 15144 1 18 . 1 1 44 44 VAL HG1 H 2 41.91 00.58 . . . . . 15144 1 19 . 1 1 44 44 VAL HG2 H 2 32.61 00.51 . . . . . 15144 1 20 . 1 1 46 46 VAL HG1 H 2 29.76 00.26 . . . . . 15144 1 21 . 1 1 46 46 VAL HG2 H 2 27.39 00.30 . . . . . 15144 1 22 . 1 1 53 53 VAL HG1 H 2 53.14 01.39 . . . . . 15144 1 23 . 1 1 53 53 VAL HG2 H 2 51.78 00.76 . . . . . 15144 1 24 . 1 1 56 56 ALA HB H 2 28.52 01.63 . . . . . 15144 1 25 . 1 1 58 58 VAL HG1 H 2 28.80 00.20 . . . . . 15144 1 26 . 1 1 58 58 VAL HG2 H 2 31.35 00.39 . . . . . 15144 1 27 . 1 1 61 61 LEU HD1 H 2 16.65 00.22 . . . . . 15144 1 28 . 1 1 61 61 LEU HD2 H 2 19.69 00.34 . . . . . 15144 1 stop_ save_ save_2H_R1_pyruvate_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 2H_R1_pyruvate_2 _Heteronucl_T1_list.Entry_ID 15144 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $pyruvate_sample_condition_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Dz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'temperatures 17C' _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 1 'methyl 2H R1' . . . 15144 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 8 8 LEU HD1 H 2 15.61 00.27 . . . . . 15144 2 2 . 1 1 8 8 LEU HD2 H 2 24.73 00.30 . . . . . 15144 2 3 . 1 1 9 9 VAL HG1 H 2 38.47 00.31 . . . . . 15144 2 4 . 1 1 9 9 VAL HG2 H 2 17.94 00.29 . . . . . 15144 2 5 . 1 1 10 10 LEU HD1 H 2 26.49 00.14 . . . . . 15144 2 6 . 1 1 10 10 LEU HD2 H 2 23.24 00.19 . . . . . 15144 2 7 . 1 1 12 12 LEU HD1 H 2 15.96 00.19 . . . . . 15144 2 8 . 1 1 12 12 LEU HD2 H 2 25.30 00.41 . . . . . 15144 2 9 . 1 1 23 23 VAL HG1 H 2 41.43 00.68 . . . . . 15144 2 10 . 1 1 23 23 VAL HG2 H 2 39.35 00.30 . . . . . 15144 2 11 . 1 1 30 30 ILE HG2 H 2 17.36 00.55 . . . . . 15144 2 12 . 1 1 31 31 LEU HD1 H 2 31.78 00.29 . . . . . 15144 2 13 . 1 1 31 31 LEU HD2 H 2 18.55 00.17 . . . . . 15144 2 14 . 1 1 33 33 LEU HD1 H 2 17.88 00.38 . . . . . 15144 2 15 . 1 1 33 33 LEU HD2 H 2 19.21 00.22 . . . . . 15144 2 16 . 1 1 34 34 LEU HD1 H 2 22.24 00.19 . . . . . 15144 2 17 . 1 1 34 34 LEU HD2 H 2 24.11 00.46 . . . . . 15144 2 18 . 1 1 44 44 VAL HG1 H 2 37.41 00.38 . . . . . 15144 2 19 . 1 1 44 44 VAL HG2 H 2 32.33 00.54 . . . . . 15144 2 20 . 1 1 46 46 VAL HG1 H 2 28.81 00.27 . . . . . 15144 2 21 . 1 1 46 46 VAL HG2 H 2 26.43 00.38 . . . . . 15144 2 22 . 1 1 53 53 VAL HG1 H 2 48.46 00.70 . . . . . 15144 2 23 . 1 1 53 53 VAL HG2 H 2 47.59 01.18 . . . . . 15144 2 24 . 1 1 56 56 ALA HB H 2 30.37 03.55 . . . . . 15144 2 25 . 1 1 58 58 VAL HG1 H 2 27.25 00.17 . . . . . 15144 2 26 . 1 1 58 58 VAL HG2 H 2 29.08 00.41 . . . . . 15144 2 27 . 1 1 61 61 LEU HD1 H 2 16.22 00.21 . . . . . 15144 2 28 . 1 1 61 61 LEU HD2 H 2 18.75 00.24 . . . . . 15144 2 stop_ save_ save_2H_R1_pyruvate_3 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 2H_R1_pyruvate_3 _Heteronucl_T1_list.Entry_ID 15144 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 3 _Heteronucl_T1_list.Sample_condition_list_label $pyruvate_sample_condition_3 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Dz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'temperatures 24C' _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 1 'methyl 2H R1' . . . 15144 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 8 8 LEU HD1 H 2 16.41 00.24 . . . . . 15144 3 2 . 1 1 8 8 LEU HD2 H 2 22.98 00.24 . . . . . 15144 3 3 . 1 1 9 9 VAL HG1 H 2 35.52 00.62 . . . . . 15144 3 4 . 1 1 9 9 VAL HG2 H 2 18.51 00.24 . . . . . 15144 3 5 . 1 1 10 10 LEU HD1 H 2 24.78 00.27 . . . . . 15144 3 6 . 1 1 10 10 LEU HD2 H 2 22.06 00.24 . . . . . 15144 3 7 . 1 1 12 12 LEU HD1 H 2 16.12 00.17 . . . . . 15144 3 8 . 1 1 12 12 LEU HD2 H 2 24.86 00.42 . . . . . 15144 3 9 . 1 1 23 23 VAL HG1 H 2 36.68 00.39 . . . . . 15144 3 10 . 1 1 23 23 VAL HG2 H 2 34.75 00.43 . . . . . 15144 3 11 . 1 1 30 30 ILE HG2 H 2 19.20 00.57 . . . . . 15144 3 12 . 1 1 31 31 LEU HD1 H 2 27.18 00.29 . . . . . 15144 3 13 . 1 1 31 31 LEU HD2 H 2 16.76 00.11 . . . . . 15144 3 14 . 1 1 33 33 LEU HD1 H 2 18.24 00.20 . . . . . 15144 3 15 . 1 1 33 33 LEU HD2 H 2 19.90 00.44 . . . . . 15144 3 16 . 1 1 34 34 LEU HD1 H 2 20.86 00.15 . . . . . 15144 3 17 . 1 1 34 34 LEU HD2 H 2 22.70 00.34 . . . . . 15144 3 18 . 1 1 44 44 VAL HG1 H 2 34.19 00.51 . . . . . 15144 3 19 . 1 1 44 44 VAL HG2 H 2 32.48 00.62 . . . . . 15144 3 20 . 1 1 46 46 VAL HG1 H 2 27.92 00.40 . . . . . 15144 3 21 . 1 1 46 46 VAL HG2 H 2 25.57 00.42 . . . . . 15144 3 22 . 1 1 53 53 VAL HG1 H 2 45.07 00.87 . . . . . 15144 3 23 . 1 1 53 53 VAL HG2 H 2 43.43 00.44 . . . . . 15144 3 24 . 1 1 56 56 ALA HB H 2 27.72 02.25 . . . . . 15144 3 25 . 1 1 58 58 VAL HG1 H 2 26.39 00.35 . . . . . 15144 3 26 . 1 1 58 58 VAL HG2 H 2 27.28 00.32 . . . . . 15144 3 27 . 1 1 61 61 LEU HD1 H 2 16.14 00.18 . . . . . 15144 3 28 . 1 1 61 61 LEU HD2 H 2 17.89 00.20 . . . . . 15144 3 stop_ save_ save_2H_R1_pyruvate_4 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 2H_R1_pyruvate_4 _Heteronucl_T1_list.Entry_ID 15144 _Heteronucl_T1_list.ID 4 _Heteronucl_T1_list.Sample_condition_list_ID 4 _Heteronucl_T1_list.Sample_condition_list_label $pyruvate_sample_condition_4 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Dz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'temperatures 30C' _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 1 'methyl 2H R1' . . . 15144 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 8 8 LEU HD1 H 2 16.06 00.25 . . . . . 15144 4 2 . 1 1 8 8 LEU HD2 H 2 23.98 00.24 . . . . . 15144 4 3 . 1 1 9 9 VAL HG1 H 2 33.28 00.41 . . . . . 15144 4 4 . 1 1 9 9 VAL HG2 H 2 18.38 00.31 . . . . . 15144 4 5 . 1 1 10 10 LEU HD1 H 2 24.77 00.47 . . . . . 15144 4 6 . 1 1 10 10 LEU HD2 H 2 20.40 00.23 . . . . . 15144 4 7 . 1 1 12 12 LEU HD1 H 2 16.58 00.28 . . . . . 15144 4 8 . 1 1 12 12 LEU HD2 H 2 23.61 00.41 . . . . . 15144 4 9 . 1 1 23 23 VAL HG1 H 2 34.45 00.56 . . . . . 15144 4 10 . 1 1 23 23 VAL HG2 H 2 33.02 00.53 . . . . . 15144 4 11 . 1 1 30 30 ILE HG2 H 2 19.92 00.44 . . . . . 15144 4 12 . 1 1 31 31 LEU HD1 H 2 23.98 00.39 . . . . . 15144 4 13 . 1 1 31 31 LEU HD2 H 2 15.75 00.17 . . . . . 15144 4 14 . 1 1 33 33 LEU HD1 H 2 18.39 00.48 . . . . . 15144 4 15 . 1 1 33 33 LEU HD2 H 2 19.91 00.18 . . . . . 15144 4 16 . 1 1 34 34 LEU HD1 H 2 20.34 00.25 . . . . . 15144 4 17 . 1 1 34 34 LEU HD2 H 2 21.52 00.52 . . . . . 15144 4 18 . 1 1 44 44 VAL HG1 H 2 32.84 00.40 . . . . . 15144 4 19 . 1 1 44 44 VAL HG2 H 2 30.89 00.53 . . . . . 15144 4 20 . 1 1 46 46 VAL HG1 H 2 27.07 00.23 . . . . . 15144 4 21 . 1 1 46 46 VAL HG2 H 2 25.11 00.25 . . . . . 15144 4 22 . 1 1 53 53 VAL HG1 H 2 43.22 01.27 . . . . . 15144 4 23 . 1 1 53 53 VAL HG2 H 2 42.20 00.80 . . . . . 15144 4 24 . 1 1 56 56 ALA HB H 2 29.90 01.46 . . . . . 15144 4 25 . 1 1 58 58 VAL HG1 H 2 26.13 00.57 . . . . . 15144 4 26 . 1 1 58 58 VAL HG2 H 2 25.48 00.45 . . . . . 15144 4 27 . 1 1 61 61 LEU HD1 H 2 15.37 00.38 . . . . . 15144 4 28 . 1 1 61 61 LEU HD2 H 2 17.00 00.46 . . . . . 15144 4 stop_ save_ save_2H_R1_glucose_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 2H_R1_glucose_1 _Heteronucl_T1_list.Entry_ID 15144 _Heteronucl_T1_list.ID 5 _Heteronucl_T1_list.Sample_condition_list_ID 5 _Heteronucl_T1_list.Sample_condition_list_label $glucose_sample_condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Dz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'temperatures 10C' _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 1 'methyl 2H R1' . . . 15144 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 1 1 MET HE H 2 04.24 00.13 . . . . . 15144 5 2 . 1 1 4 4 THR HG2 H 2 30.20 00.22 . . . . . 15144 5 3 . 1 1 8 8 LEU HD1 H 2 15.19 00.20 . . . . . 15144 5 4 . 1 1 8 8 LEU HD2 H 2 26.46 01.13 . . . . . 15144 5 5 . 1 1 9 9 VAL HG1 H 2 38.99 00.36 . . . . . 15144 5 6 . 1 1 9 9 VAL HG2 H 2 17.04 00.22 . . . . . 15144 5 7 . 1 1 10 10 LEU HD1 H 2 26.83 02.78 . . . . . 15144 5 8 . 1 1 10 10 LEU HD2 H 2 24.44 00.53 . . . . . 15144 5 9 . 1 1 11 11 ALA HB H 2 55.44 01.47 . . . . . 15144 5 10 . 1 1 12 12 LEU HD1 H 2 15.62 00.54 . . . . . 15144 5 11 . 1 1 12 12 LEU HD2 H 2 27.29 01.21 . . . . . 15144 5 12 . 1 1 23 23 VAL HG1 H 2 45.12 00.60 . . . . . 15144 5 13 . 1 1 23 23 VAL HG2 H 2 42.03 00.21 . . . . . 15144 5 14 . 1 1 24 24 THR HG2 H 2 39.53 00.86 . . . . . 15144 5 15 . 1 1 25 25 MET HE H 2 10.12 00.29 . . . . . 15144 5 16 . 1 1 30 30 ILE HG2 H 2 18.92 00.42 . . . . . 15144 5 17 . 1 1 30 30 ILE HD1 H 2 15.65 00.12 . . . . . 15144 5 18 . 1 1 32 32 THR HG2 H 2 35.31 00.95 . . . . . 15144 5 19 . 1 1 33 33 LEU HD1 H 2 17.21 00.25 . . . . . 15144 5 20 . 1 1 33 33 LEU HD2 H 2 20.88 00.67 . . . . . 15144 5 21 . 1 1 34 34 LEU HD1 H 2 23.28 00.46 . . . . . 15144 5 22 . 1 1 34 34 LEU HD2 H 2 25.85 01.36 . . . . . 15144 5 23 . 1 1 37 37 THR HG2 H 2 26.19 00.18 . . . . . 15144 5 24 . 1 1 44 44 VAL HG1 H 2 39.56 00.89 . . . . . 15144 5 25 . 1 1 44 44 VAL HG2 H 2 34.06 00.72 . . . . . 15144 5 26 . 1 1 46 46 VAL HG1 H 2 30.13 00.42 . . . . . 15144 5 27 . 1 1 46 46 VAL HG2 H 2 27.69 00.33 . . . . . 15144 5 28 . 1 1 53 53 VAL HG1 H 2 50.65 00.51 . . . . . 15144 5 29 . 1 1 53 53 VAL HG2 H 2 57.65 01.17 . . . . . 15144 5 30 . 1 1 55 55 ALA HB H 2 63.32 02.21 . . . . . 15144 5 31 . 1 1 56 56 ALA HB H 2 32.75 00.65 . . . . . 15144 5 32 . 1 1 58 58 VAL HG1 H 2 27.42 00.51 . . . . . 15144 5 33 . 1 1 58 58 VAL HG2 H 2 32.74 00.43 . . . . . 15144 5 34 . 1 1 61 61 LEU HD1 H 2 16.43 00.18 . . . . . 15144 5 35 . 1 1 61 61 LEU HD2 H 2 20.01 00.71 . . . . . 15144 5 stop_ save_ save_2H_R1_glucose_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 2H_R1_glucose_2 _Heteronucl_T1_list.Entry_ID 15144 _Heteronucl_T1_list.ID 6 _Heteronucl_T1_list.Sample_condition_list_ID 6 _Heteronucl_T1_list.Sample_condition_list_label $glucose_sample_condition_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Dz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'temperatures 17C' _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 3 'methyl 2H R1' . . . 15144 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 1 1 MET HE H 2 03.81 00.24 . . . . . 15144 6 2 . 1 1 4 4 THR HG2 H 2 27.67 00.30 . . . . . 15144 6 3 . 1 1 8 8 LEU HD1 H 2 14.62 00.50 . . . . . 15144 6 4 . 1 1 8 8 LEU HD2 H 2 23.32 00.52 . . . . . 15144 6 5 . 1 1 9 9 VAL HG1 H 2 36.00 00.66 . . . . . 15144 6 6 . 1 1 9 9 VAL HG2 H 2 17.06 00.27 . . . . . 15144 6 7 . 1 1 10 10 LEU HD1 H 2 28.68 01.60 . . . . . 15144 6 8 . 1 1 10 10 LEU HD2 H 2 21.80 00.35 . . . . . 15144 6 9 . 1 1 11 11 ALA HB H 2 49.01 00.98 . . . . . 15144 6 10 . 1 1 12 12 LEU HD1 H 2 14.91 00.53 . . . . . 15144 6 11 . 1 1 12 12 LEU HD2 H 2 24.37 01.69 . . . . . 15144 6 12 . 1 1 23 23 VAL HG1 H 2 39.60 00.61 . . . . . 15144 6 13 . 1 1 23 23 VAL HG2 H 2 38.02 00.46 . . . . . 15144 6 14 . 1 1 24 24 THR HG2 H 2 34.29 00.44 . . . . . 15144 6 15 . 1 1 25 25 MET HE H 2 11.27 00.41 . . . . . 15144 6 16 . 1 1 30 30 ILE HG2 H 2 18.48 00.35 . . . . . 15144 6 17 . 1 1 30 30 ILE HD1 H 2 15.62 00.30 . . . . . 15144 6 18 . 1 1 32 32 THR HG2 H 2 32.43 01.07 . . . . . 15144 6 19 . 1 1 33 33 LEU HD1 H 2 17.18 00.85 . . . . . 15144 6 20 . 1 1 33 33 LEU HD2 H 2 18.90 00.52 . . . . . 15144 6 21 . 1 1 34 34 LEU HD1 H 2 20.68 00.44 . . . . . 15144 6 22 . 1 1 34 34 LEU HD2 H 2 23.25 02.03 . . . . . 15144 6 23 . 1 1 37 37 THR HG2 H 2 24.88 00.55 . . . . . 15144 6 24 . 1 1 44 44 VAL HG1 H 2 36.38 00.62 . . . . . 15144 6 25 . 1 1 44 44 VAL HG2 H 2 30.93 00.60 . . . . . 15144 6 26 . 1 1 46 46 VAL HG1 H 2 27.84 00.32 . . . . . 15144 6 27 . 1 1 46 46 VAL HG2 H 2 26.41 00.44 . . . . . 15144 6 28 . 1 1 53 53 VAL HG1 H 2 47.58 00.65 . . . . . 15144 6 29 . 1 1 53 53 VAL HG2 H 2 47.72 00.54 . . . . . 15144 6 30 . 1 1 55 55 ALA HB H 2 54.11 01.06 . . . . . 15144 6 31 . 1 1 56 56 ALA HB H 2 29.90 00.28 . . . . . 15144 6 32 . 1 1 58 58 VAL HG1 H 2 26.04 00.27 . . . . . 15144 6 33 . 1 1 58 58 VAL HG2 H 2 28.68 00.51 . . . . . 15144 6 34 . 1 1 61 61 LEU HD1 H 2 16.00 00.33 . . . . . 15144 6 35 . 1 1 61 61 LEU HD2 H 2 17.85 00.45 . . . . . 15144 6 stop_ save_ save_2H_R1_glucose_3 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 2H_R1_glucose_3 _Heteronucl_T1_list.Entry_ID 15144 _Heteronucl_T1_list.ID 7 _Heteronucl_T1_list.Sample_condition_list_ID 7 _Heteronucl_T1_list.Sample_condition_list_label $glucose_sample_condition_3 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Dz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'temperatures 24C' _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 3 'methyl 2H R1' . . . 15144 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 1 1 MET HE H 2 03.23 00.24 . . . . . 15144 7 2 . 1 1 4 4 THR HG2 H 2 25.79 00.25 . . . . . 15144 7 3 . 1 1 8 8 LEU HD1 H 2 15.07 00.17 . . . . . 15144 7 4 . 1 1 8 8 LEU HD2 H 2 22.89 01.14 . . . . . 15144 7 5 . 1 1 9 9 VAL HG1 H 2 34.21 00.30 . . . . . 15144 7 6 . 1 1 9 9 VAL HG2 H 2 17.92 00.22 . . . . . 15144 7 7 . 1 1 10 10 LEU HD1 H 2 25.09 01.72 . . . . . 15144 7 8 . 1 1 10 10 LEU HD2 H 2 21.35 00.47 . . . . . 15144 7 9 . 1 1 11 11 ALA HB H 2 44.65 00.19 . . . . . 15144 7 10 . 1 1 12 12 LEU HD1 H 2 15.32 00.34 . . . . . 15144 7 11 . 1 1 12 12 LEU HD2 H 2 22.74 01.27 . . . . . 15144 7 12 . 1 1 23 23 VAL HG1 H 2 35.78 00.41 . . . . . 15144 7 13 . 1 1 23 23 VAL HG2 H 2 34.21 00.25 . . . . . 15144 7 14 . 1 1 24 24 THR HG2 H 2 32.54 00.47 . . . . . 15144 7 15 . 1 1 25 25 MET HE H 2 12.38 00.21 . . . . . 15144 7 16 . 1 1 30 30 ILE HG2 H 2 18.89 00.30 . . . . . 15144 7 17 . 1 1 30 30 ILE HD1 H 2 14.51 00.26 . . . . . 15144 7 18 . 1 1 32 32 THR HG2 H 2 30.46 00.90 . . . . . 15144 7 19 . 1 1 33 33 LEU HD1 H 2 16.33 00.54 . . . . . 15144 7 20 . 1 1 33 33 LEU HD2 H 2 19.34 00.34 . . . . . 15144 7 21 . 1 1 34 34 LEU HD1 H 2 20.33 00.17 . . . . . 15144 7 22 . 1 1 34 34 LEU HD2 H 2 21.16 00.94 . . . . . 15144 7 23 . 1 1 37 37 THR HG2 H 2 24.86 00.55 . . . . . 15144 7 24 . 1 1 44 44 VAL HG1 H 2 32.94 00.35 . . . . . 15144 7 25 . 1 1 44 44 VAL HG2 H 2 30.66 00.46 . . . . . 15144 7 26 . 1 1 46 46 VAL HG1 H 2 27.06 00.18 . . . . . 15144 7 27 . 1 1 46 46 VAL HG2 H 2 24.73 00.29 . . . . . 15144 7 28 . 1 1 53 53 VAL HG1 H 2 44.04 00.28 . . . . . 15144 7 29 . 1 1 53 53 VAL HG2 H 2 43.70 00.61 . . . . . 15144 7 30 . 1 1 55 55 ALA HB H 2 50.20 00.72 . . . . . 15144 7 31 . 1 1 56 56 ALA HB H 2 28.23 00.16 . . . . . 15144 7 32 . 1 1 58 58 VAL HG1 H 2 25.16 00.31 . . . . . 15144 7 33 . 1 1 58 58 VAL HG2 H 2 27.15 00.33 . . . . . 15144 7 34 . 1 1 61 61 LEU HD1 H 2 15.72 00.09 . . . . . 15144 7 35 . 1 1 61 61 LEU HD2 H 2 17.19 00.48 . . . . . 15144 7 stop_ save_ save_2H_R1_glucose_4 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 2H_R1_glucose_4 _Heteronucl_T1_list.Entry_ID 15144 _Heteronucl_T1_list.ID 8 _Heteronucl_T1_list.Sample_condition_list_ID 8 _Heteronucl_T1_list.Sample_condition_list_label $glucose_sample_condition_4 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Dz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'temperatures 30C' _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 3 'methyl 2H R1' . . . 15144 8 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 1 1 MET HE H 2 02.84 00.06 . . . . . 15144 8 2 . 1 1 4 4 THR HG2 H 2 24.32 00.12 . . . . . 15144 8 3 . 1 1 8 8 LEU HD1 H 2 15.63 00.29 . . . . . 15144 8 4 . 1 1 8 8 LEU HD2 H 2 23.60 00.53 . . . . . 15144 8 5 . 1 1 9 9 VAL HG1 H 2 32.33 00.32 . . . . . 15144 8 6 . 1 1 9 9 VAL HG2 H 2 19.07 00.09 . . . . . 15144 8 7 . 1 1 10 10 LEU HD1 H 2 23.98 01.33 . . . . . 15144 8 8 . 1 1 10 10 LEU HD2 H 2 20.27 00.35 . . . . . 15144 8 9 . 1 1 11 11 ALA HB H 2 43.73 00.31 . . . . . 15144 8 10 . 1 1 12 12 LEU HD1 H 2 15.75 00.25 . . . . . 15144 8 11 . 1 1 12 12 LEU HD2 H 2 21.98 00.66 . . . . . 15144 8 12 . 1 1 23 23 VAL HG1 H 2 33.71 00.34 . . . . . 15144 8 13 . 1 1 23 23 VAL HG2 H 2 31.87 00.20 . . . . . 15144 8 14 . 1 1 24 24 THR HG2 H 2 31.19 00.68 . . . . . 15144 8 15 . 1 1 25 25 MET HE H 2 13.30 00.11 . . . . . 15144 8 16 . 1 1 30 30 ILE HG2 H 2 19.38 00.11 . . . . . 15144 8 17 . 1 1 30 30 ILE HD1 H 2 14.10 00.09 . . . . . 15144 8 18 . 1 1 32 32 THR HG2 H 2 29.17 00.55 . . . . . 15144 8 19 . 1 1 33 33 LEU HD1 H 2 18.34 00.68 . . . . . 15144 8 20 . 1 1 33 33 LEU HD2 H 2 19.52 00.34 . . . . . 15144 8 21 . 1 1 34 34 LEU HD1 H 2 19.42 00.14 . . . . . 15144 8 22 . 1 1 34 34 LEU HD2 H 2 21.23 00.35 . . . . . 15144 8 23 . 1 1 37 37 THR HG2 H 2 24.32 00.26 . . . . . 15144 8 24 . 1 1 44 44 VAL HG1 H 2 31.88 00.48 . . . . . 15144 8 25 . 1 1 44 44 VAL HG2 H 2 29.80 00.23 . . . . . 15144 8 26 . 1 1 46 46 VAL HG1 H 2 26.53 00.23 . . . . . 15144 8 27 . 1 1 46 46 VAL HG2 H 2 24.52 00.15 . . . . . 15144 8 28 . 1 1 53 53 VAL HG1 H 2 40.96 00.22 . . . . . 15144 8 29 . 1 1 53 53 VAL HG2 H 2 42.00 00.48 . . . . . 15144 8 30 . 1 1 55 55 ALA HB H 2 47.87 00.61 . . . . . 15144 8 31 . 1 1 56 56 ALA HB H 2 27.82 00.18 . . . . . 15144 8 32 . 1 1 58 58 VAL HG1 H 2 24.41 00.25 . . . . . 15144 8 33 . 1 1 58 58 VAL HG2 H 2 25.80 00.31 . . . . . 15144 8 34 . 1 1 61 61 LEU HD1 H 2 14.70 00.17 . . . . . 15144 8 35 . 1 1 61 61 LEU HD2 H 2 15.08 00.85 . . . . . 15144 8 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_2H_R2_pyruvate_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 2H_R2_pyruvate_1 _Heteronucl_T2_list.Entry_ID 15144 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $pyruvate_sample_condition_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 Dx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'temperatures 10C' _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 'methyl 2H R2' . . . 15144 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 8 8 LEU HD1 H 2 068.32 001.64 . . . . . . . 15144 1 2 . 1 1 8 8 LEU HD2 H 2 085.41 001.92 . . . . . . . 15144 1 3 . 1 1 9 9 VAL HG1 H 2 110.60 002.16 . . . . . . . 15144 1 4 . 1 1 9 9 VAL HG2 H 2 081.63 002.21 . . . . . . . 15144 1 5 . 1 1 10 10 LEU HD1 H 2 086.41 002.44 . . . . . . . 15144 1 6 . 1 1 10 10 LEU HD2 H 2 075.04 001.56 . . . . . . . 15144 1 7 . 1 1 12 12 LEU HD1 H 2 073.83 002.22 . . . . . . . 15144 1 8 . 1 1 12 12 LEU HD2 H 2 087.97 004.60 . . . . . . . 15144 1 9 . 1 1 23 23 VAL HG1 H 2 071.09 001.80 . . . . . . . 15144 1 10 . 1 1 23 23 VAL HG2 H 2 069.90 001.48 . . . . . . . 15144 1 11 . 1 1 30 30 ILE HG2 H 2 090.84 004.00 . . . . . . . 15144 1 12 . 1 1 31 31 LEU HD1 H 2 063.24 002.28 . . . . . . . 15144 1 13 . 1 1 31 31 LEU HD2 H 2 048.41 001.28 . . . . . . . 15144 1 14 . 1 1 33 33 LEU HD1 H 2 078.88 001.23 . . . . . . . 15144 1 15 . 1 1 33 33 LEU HD2 H 2 086.53 001.87 . . . . . . . 15144 1 16 . 1 1 34 34 LEU HD1 H 2 076.99 001.82 . . . . . . . 15144 1 17 . 1 1 34 34 LEU HD2 H 2 081.63 003.03 . . . . . . . 15144 1 18 . 1 1 44 44 VAL HG1 H 2 114.55 003.10 . . . . . . . 15144 1 19 . 1 1 44 44 VAL HG2 H 2 109.53 000.86 . . . . . . . 15144 1 20 . 1 1 46 46 VAL HG1 H 2 082.58 001.34 . . . . . . . 15144 1 21 . 1 1 46 46 VAL HG2 H 2 080.72 000.66 . . . . . . . 15144 1 22 . 1 1 53 53 VAL HG1 H 2 128.77 002.89 . . . . . . . 15144 1 23 . 1 1 53 53 VAL HG2 H 2 112.63 002.87 . . . . . . . 15144 1 24 . 1 1 56 56 ALA HB H 2 115.75 007.41 . . . . . . . 15144 1 25 . 1 1 58 58 VAL HG1 H 2 090.17 002.46 . . . . . . . 15144 1 26 . 1 1 58 58 VAL HG2 H 2 101.02 002.59 . . . . . . . 15144 1 27 . 1 1 61 61 LEU HD1 H 2 054.07 000.75 . . . . . . . 15144 1 28 . 1 1 61 61 LEU HD2 H 2 055.85 000.95 . . . . . . . 15144 1 stop_ save_ save_2H_R2_pyruvate_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 2H_R2_pyruvate_2 _Heteronucl_T2_list.Entry_ID 15144 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $pyruvate_sample_condition_2 _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 Dx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'temperatures 17C' _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 'methyl 2H R2' . . . 15144 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 8 8 LEU HD1 H 2 062.96 000.77 . . . . . . . 15144 2 2 . 1 1 8 8 LEU HD2 H 2 075.61 001.10 . . . . . . . 15144 2 3 . 1 1 9 9 VAL HG1 H 2 095.89 002.47 . . . . . . . 15144 2 4 . 1 1 9 9 VAL HG2 H 2 074.87 001.10 . . . . . . . 15144 2 5 . 1 1 10 10 LEU HD1 H 2 074.05 002.00 . . . . . . . 15144 2 6 . 1 1 10 10 LEU HD2 H 2 068.20 000.62 . . . . . . . 15144 2 7 . 1 1 12 12 LEU HD1 H 2 066.67 000.84 . . . . . . . 15144 2 8 . 1 1 12 12 LEU HD2 H 2 077.25 001.73 . . . . . . . 15144 2 9 . 1 1 23 23 VAL HG1 H 2 066.83 000.84 . . . . . . . 15144 2 10 . 1 1 23 23 VAL HG2 H 2 066.20 000.39 . . . . . . . 15144 2 11 . 1 1 30 30 ILE HG2 H 2 076.72 002.21 . . . . . . . 15144 2 12 . 1 1 31 31 LEU HD1 H 2 055.07 000.68 . . . . . . . 15144 2 13 . 1 1 31 31 LEU HD2 H 2 042.43 000.61 . . . . . . . 15144 2 14 . 1 1 33 33 LEU HD1 H 2 071.32 001.97 . . . . . . . 15144 2 15 . 1 1 33 33 LEU HD2 H 2 073.43 000.88 . . . . . . . 15144 2 16 . 1 1 34 34 LEU HD1 H 2 069.62 001.01 . . . . . . . 15144 2 17 . 1 1 34 34 LEU HD2 H 2 068.62 000.74 . . . . . . . 15144 2 18 . 1 1 44 44 VAL HG1 H 2 102.31 001.79 . . . . . . . 15144 2 19 . 1 1 44 44 VAL HG2 H 2 097.75 001.60 . . . . . . . 15144 2 20 . 1 1 46 46 VAL HG1 H 2 075.65 000.70 . . . . . . . 15144 2 21 . 1 1 46 46 VAL HG2 H 2 073.08 000.63 . . . . . . . 15144 2 22 . 1 1 53 53 VAL HG1 H 2 111.20 001.72 . . . . . . . 15144 2 23 . 1 1 53 53 VAL HG2 H 2 107.12 001.54 . . . . . . . 15144 2 24 . 1 1 56 56 ALA HB H 2 100.55 003.26 . . . . . . . 15144 2 25 . 1 1 58 58 VAL HG1 H 2 080.62 001.93 . . . . . . . 15144 2 26 . 1 1 58 58 VAL HG2 H 2 085.59 001.80 . . . . . . . 15144 2 27 . 1 1 61 61 LEU HD1 H 2 049.38 000.43 . . . . . . . 15144 2 28 . 1 1 61 61 LEU HD2 H 2 051.70 001.02 . . . . . . . 15144 2 stop_ save_ save_2H_R2_pyruvate_3 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 2H_R2_pyruvate_3 _Heteronucl_T2_list.Entry_ID 15144 _Heteronucl_T2_list.ID 3 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $pyruvate_sample_condition_3 _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 Dx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'temperatures 24C' _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 'methyl 2H R2' . . . 15144 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 8 8 LEU HD1 H 2 053.96 000.55 . . . . . . . 15144 3 2 . 1 1 8 8 LEU HD2 H 2 062.92 001.07 . . . . . . . 15144 3 3 . 1 1 9 9 VAL HG1 H 2 077.14 001.58 . . . . . . . 15144 3 4 . 1 1 9 9 VAL HG2 H 2 063.01 000.92 . . . . . . . 15144 3 5 . 1 1 10 10 LEU HD1 H 2 062.95 001.13 . . . . . . . 15144 3 6 . 1 1 10 10 LEU HD2 H 2 057.69 000.45 . . . . . . . 15144 3 7 . 1 1 12 12 LEU HD1 H 2 057.93 000.82 . . . . . . . 15144 3 8 . 1 1 12 12 LEU HD2 H 2 065.83 001.85 . . . . . . . 15144 3 9 . 1 1 23 23 VAL HG1 H 2 056.53 000.58 . . . . . . . 15144 3 10 . 1 1 23 23 VAL HG2 H 2 054.57 000.67 . . . . . . . 15144 3 11 . 1 1 30 30 ILE HG2 H 2 060.61 001.02 . . . . . . . 15144 3 12 . 1 1 31 31 LEU HD1 H 2 044.83 001.09 . . . . . . . 15144 3 13 . 1 1 31 31 LEU HD2 H 2 034.77 000.31 . . . . . . . 15144 3 14 . 1 1 33 33 LEU HD1 H 2 059.81 000.73 . . . . . . . 15144 3 15 . 1 1 33 33 LEU HD2 H 2 066.09 000.87 . . . . . . . 15144 3 16 . 1 1 34 34 LEU HD1 H 2 057.96 000.58 . . . . . . . 15144 3 17 . 1 1 34 34 LEU HD2 H 2 060.99 000.81 . . . . . . . 15144 3 18 . 1 1 44 44 VAL HG1 H 2 087.80 001.06 . . . . . . . 15144 3 19 . 1 1 44 44 VAL HG2 H 2 082.77 001.73 . . . . . . . 15144 3 20 . 1 1 46 46 VAL HG1 H 2 063.61 000.66 . . . . . . . 15144 3 21 . 1 1 46 46 VAL HG2 H 2 062.52 000.91 . . . . . . . 15144 3 22 . 1 1 53 53 VAL HG1 H 2 097.81 001.51 . . . . . . . 15144 3 23 . 1 1 53 53 VAL HG2 H 2 093.05 000.60 . . . . . . . 15144 3 24 . 1 1 56 56 ALA HB H 2 076.70 003.89 . . . . . . . 15144 3 25 . 1 1 58 58 VAL HG1 H 2 068.97 000.71 . . . . . . . 15144 3 26 . 1 1 58 58 VAL HG2 H 2 071.10 001.10 . . . . . . . 15144 3 27 . 1 1 61 61 LEU HD1 H 2 042.40 000.99 . . . . . . . 15144 3 28 . 1 1 61 61 LEU HD2 H 2 043.26 000.31 . . . . . . . 15144 3 stop_ save_ save_2H_R2_pyruvate_4 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 2H_R2_pyruvate_4 _Heteronucl_T2_list.Entry_ID 15144 _Heteronucl_T2_list.ID 4 _Heteronucl_T2_list.Sample_condition_list_ID 4 _Heteronucl_T2_list.Sample_condition_list_label $pyruvate_sample_condition_4 _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 Dx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'temperatures 30C' _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 'methyl 2H R2' . . . 15144 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 8 8 LEU HD1 H 2 048.34 000.72 . . . . . . . 15144 4 2 . 1 1 8 8 LEU HD2 H 2 057.58 000.88 . . . . . . . 15144 4 3 . 1 1 9 9 VAL HG1 H 2 072.11 001.16 . . . . . . . 15144 4 4 . 1 1 9 9 VAL HG2 H 2 057.48 000.82 . . . . . . . 15144 4 5 . 1 1 10 10 LEU HD1 H 2 055.36 001.75 . . . . . . . 15144 4 6 . 1 1 10 10 LEU HD2 H 2 048.23 001.18 . . . . . . . 15144 4 7 . 1 1 12 12 LEU HD1 H 2 049.71 001.41 . . . . . . . 15144 4 8 . 1 1 12 12 LEU HD2 H 2 056.35 001.13 . . . . . . . 15144 4 9 . 1 1 23 23 VAL HG1 H 2 049.69 000.85 . . . . . . . 15144 4 10 . 1 1 23 23 VAL HG2 H 2 047.81 001.23 . . . . . . . 15144 4 11 . 1 1 30 30 ILE HG2 H 2 059.45 003.12 . . . . . . . 15144 4 12 . 1 1 31 31 LEU HD1 H 2 038.44 001.00 . . . . . . . 15144 4 13 . 1 1 31 31 LEU HD2 H 2 029.84 000.64 . . . . . . . 15144 4 14 . 1 1 33 33 LEU HD1 H 2 053.47 000.98 . . . . . . . 15144 4 15 . 1 1 33 33 LEU HD2 H 2 056.90 000.96 . . . . . . . 15144 4 16 . 1 1 34 34 LEU HD1 H 2 051.00 001.26 . . . . . . . 15144 4 17 . 1 1 34 34 LEU HD2 H 2 054.11 001.34 . . . . . . . 15144 4 18 . 1 1 44 44 VAL HG1 H 2 078.96 001.60 . . . . . . . 15144 4 19 . 1 1 44 44 VAL HG2 H 2 071.54 001.34 . . . . . . . 15144 4 20 . 1 1 46 46 VAL HG1 H 2 055.87 000.69 . . . . . . . 15144 4 21 . 1 1 46 46 VAL HG2 H 2 055.91 000.24 . . . . . . . 15144 4 22 . 1 1 53 53 VAL HG1 H 2 085.63 001.99 . . . . . . . 15144 4 23 . 1 1 53 53 VAL HG2 H 2 082.14 000.55 . . . . . . . 15144 4 24 . 1 1 56 56 ALA HB H 2 070.93 007.16 . . . . . . . 15144 4 25 . 1 1 58 58 VAL HG1 H 2 060.90 001.21 . . . . . . . 15144 4 26 . 1 1 58 58 VAL HG2 H 2 063.94 000.52 . . . . . . . 15144 4 27 . 1 1 61 61 LEU HD1 H 2 037.67 001.03 . . . . . . . 15144 4 28 . 1 1 61 61 LEU HD2 H 2 037.19 001.22 . . . . . . . 15144 4 stop_ save_ save_2H_R2_glucose_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 2H_R2_glucose_1 _Heteronucl_T2_list.Entry_ID 15144 _Heteronucl_T2_list.ID 5 _Heteronucl_T2_list.Sample_condition_list_ID 5 _Heteronucl_T2_list.Sample_condition_list_label $glucose_sample_condition_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 Dx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'temperatures 10C' _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 4 'methyl 2H R2' . . . 15144 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 1 1 MET HE H 2 002.81 001.09 . . . . . . . 15144 5 2 . 1 1 4 4 THR HG2 H 2 056.36 001.64 . . . . . . . 15144 5 3 . 1 1 8 8 LEU HD1 H 2 078.80 002.01 . . . . . . . 15144 5 4 . 1 1 8 8 LEU HD2 H 2 118.41 016.31 . . . . . . . 15144 5 5 . 1 1 9 9 VAL HG1 H 2 119.05 003.50 . . . . . . . 15144 5 6 . 1 1 9 9 VAL HG2 H 2 092.11 000.55 . . . . . . . 15144 5 7 . 1 1 10 10 LEU HD1 H 2 090.79 005.67 . . . . . . . 15144 5 8 . 1 1 10 10 LEU HD2 H 2 086.79 003.43 . . . . . . . 15144 5 9 . 1 1 11 11 ALA HB H 2 140.53 001.26 . . . . . . . 15144 5 10 . 1 1 12 12 LEU HD1 H 2 080.83 003.16 . . . . . . . 15144 5 11 . 1 1 12 12 LEU HD2 H 2 079.48 008.59 . . . . . . . 15144 5 12 . 1 1 23 23 VAL HG1 H 2 078.03 001.68 . . . . . . . 15144 5 13 . 1 1 23 23 VAL HG2 H 2 075.76 000.56 . . . . . . . 15144 5 14 . 1 1 24 24 THR HG2 H 2 131.70 005.22 . . . . . . . 15144 5 15 . 1 1 25 25 MET HE H 2 086.49 001.47 . . . . . . . 15144 5 16 . 1 1 30 30 ILE HG2 H 2 093.05 002.88 . . . . . . . 15144 5 17 . 1 1 30 30 ILE HD1 H 2 043.73 000.79 . . . . . . . 15144 5 18 . 1 1 32 32 THR HG2 H 2 101.47 001.90 . . . . . . . 15144 5 19 . 1 1 33 33 LEU HD1 H 2 087.50 004.03 . . . . . . . 15144 5 20 . 1 1 33 33 LEU HD2 H 2 086.60 004.55 . . . . . . . 15144 5 21 . 1 1 34 34 LEU HD1 H 2 084.56 001.84 . . . . . . . 15144 5 22 . 1 1 34 34 LEU HD2 H 2 069.89 005.41 . . . . . . . 15144 5 23 . 1 1 37 37 THR HG2 H 2 086.39 000.98 . . . . . . . 15144 5 24 . 1 1 44 44 VAL HG1 H 2 117.15 007.89 . . . . . . . 15144 5 25 . 1 1 44 44 VAL HG2 H 2 116.25 002.00 . . . . . . . 15144 5 26 . 1 1 46 46 VAL HG1 H 2 087.25 001.16 . . . . . . . 15144 5 27 . 1 1 46 46 VAL HG2 H 2 089.90 000.54 . . . . . . . 15144 5 28 . 1 1 53 53 VAL HG1 H 2 134.05 003.09 . . . . . . . 15144 5 29 . 1 1 53 53 VAL HG2 H 2 151.29 003.18 . . . . . . . 15144 5 30 . 1 1 55 55 ALA HB H 2 152.49 002.67 . . . . . . . 15144 5 31 . 1 1 56 56 ALA HB H 2 115.47 002.08 . . . . . . . 15144 5 32 . 1 1 58 58 VAL HG1 H 2 097.62 001.65 . . . . . . . 15144 5 33 . 1 1 58 58 VAL HG2 H 2 112.03 003.33 . . . . . . . 15144 5 34 . 1 1 61 61 LEU HD1 H 2 055.70 001.84 . . . . . . . 15144 5 35 . 1 1 61 61 LEU HD2 H 2 069.78 003.91 . . . . . . . 15144 5 stop_ save_ save_2H_R2_glucose_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 2H_R2_glucose_2 _Heteronucl_T2_list.Entry_ID 15144 _Heteronucl_T2_list.ID 6 _Heteronucl_T2_list.Sample_condition_list_ID 6 _Heteronucl_T2_list.Sample_condition_list_label $glucose_sample_condition_2 _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 Dx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'temperatures 17C' _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 4 'methyl 2H R2' . . . 15144 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 1 1 MET HE H 2 004.12 001.69 . . . . . . . 15144 6 2 . 1 1 4 4 THR HG2 H 2 047.54 001.44 . . . . . . . 15144 6 3 . 1 1 8 8 LEU HD1 H 2 063.16 001.11 . . . . . . . 15144 6 4 . 1 1 8 8 LEU HD2 H 2 077.78 001.11 . . . . . . . 15144 6 5 . 1 1 9 9 VAL HG1 H 2 095.30 002.04 . . . . . . . 15144 6 6 . 1 1 9 9 VAL HG2 H 2 077.73 001.79 . . . . . . . 15144 6 7 . 1 1 10 10 LEU HD1 H 2 083.25 003.69 . . . . . . . 15144 6 8 . 1 1 10 10 LEU HD2 H 2 071.00 000.84 . . . . . . . 15144 6 9 . 1 1 11 11 ALA HB H 2 118.30 001.97 . . . . . . . 15144 6 10 . 1 1 12 12 LEU HD1 H 2 068.26 001.48 . . . . . . . 15144 6 11 . 1 1 12 12 LEU HD2 H 2 067.98 004.22 . . . . . . . 15144 6 12 . 1 1 23 23 VAL HG1 H 2 063.92 001.68 . . . . . . . 15144 6 13 . 1 1 23 23 VAL HG2 H 2 062.18 001.42 . . . . . . . 15144 6 14 . 1 1 24 24 THR HG2 H 2 101.86 000.89 . . . . . . . 15144 6 15 . 1 1 25 25 MET HE H 2 073.77 001.33 . . . . . . . 15144 6 16 . 1 1 30 30 ILE HG2 H 2 080.01 001.71 . . . . . . . 15144 6 17 . 1 1 30 30 ILE HD1 H 2 036.54 000.94 . . . . . . . 15144 6 18 . 1 1 32 32 THR HG2 H 2 086.82 003.75 . . . . . . . 15144 6 19 . 1 1 33 33 LEU HD1 H 2 068.77 002.17 . . . . . . . 15144 6 20 . 1 1 33 33 LEU HD2 H 2 076.60 001.77 . . . . . . . 15144 6 21 . 1 1 34 34 LEU HD1 H 2 069.48 001.25 . . . . . . . 15144 6 22 . 1 1 34 34 LEU HD2 H 2 068.77 003.24 . . . . . . . 15144 6 23 . 1 1 37 37 THR HG2 H 2 072.17 002.37 . . . . . . . 15144 6 24 . 1 1 44 44 VAL HG1 H 2 104.87 001.50 . . . . . . . 15144 6 25 . 1 1 44 44 VAL HG2 H 2 095.24 001.36 . . . . . . . 15144 6 26 . 1 1 46 46 VAL HG1 H 2 073.15 001.30 . . . . . . . 15144 6 27 . 1 1 46 46 VAL HG2 H 2 074.32 000.92 . . . . . . . 15144 6 28 . 1 1 53 53 VAL HG1 H 2 111.17 002.47 . . . . . . . 15144 6 29 . 1 1 53 53 VAL HG2 H 2 112.42 002.03 . . . . . . . 15144 6 30 . 1 1 55 55 ALA HB H 2 123.47 002.53 . . . . . . . 15144 6 31 . 1 1 56 56 ALA HB H 2 098.09 001.71 . . . . . . . 15144 6 32 . 1 1 58 58 VAL HG1 H 2 080.01 001.45 . . . . . . . 15144 6 33 . 1 1 58 58 VAL HG2 H 2 085.68 002.26 . . . . . . . 15144 6 34 . 1 1 61 61 LEU HD1 H 2 049.39 001.20 . . . . . . . 15144 6 35 . 1 1 61 61 LEU HD2 H 2 048.49 002.67 . . . . . . . 15144 6 stop_ save_ save_2H_R2_glucose_3 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 2H_R2_glucose_3 _Heteronucl_T2_list.Entry_ID 15144 _Heteronucl_T2_list.ID 7 _Heteronucl_T2_list.Sample_condition_list_ID 7 _Heteronucl_T2_list.Sample_condition_list_label $glucose_sample_condition_3 _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 Dx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'temperatures 24C' _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 4 'methyl 2H R2' . . . 15144 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 1 1 MET HE H 2 004.99 001.95 . . . . . . . 15144 7 2 . 1 1 4 4 THR HG2 H 2 040.15 001.77 . . . . . . . 15144 7 3 . 1 1 8 8 LEU HD1 H 2 056.11 000.91 . . . . . . . 15144 7 4 . 1 1 8 8 LEU HD2 H 2 071.93 001.64 . . . . . . . 15144 7 5 . 1 1 9 9 VAL HG1 H 2 083.63 001.26 . . . . . . . 15144 7 6 . 1 1 9 9 VAL HG2 H 2 068.53 001.32 . . . . . . . 15144 7 7 . 1 1 10 10 LEU HD1 H 2 070.40 003.74 . . . . . . . 15144 7 8 . 1 1 10 10 LEU HD2 H 2 058.69 001.37 . . . . . . . 15144 7 9 . 1 1 11 11 ALA HB H 2 104.20 002.15 . . . . . . . 15144 7 10 . 1 1 12 12 LEU HD1 H 2 056.77 001.14 . . . . . . . 15144 7 11 . 1 1 12 12 LEU HD2 H 2 058.09 005.94 . . . . . . . 15144 7 12 . 1 1 23 23 VAL HG1 H 2 054.32 001.40 . . . . . . . 15144 7 13 . 1 1 23 23 VAL HG2 H 2 054.00 000.80 . . . . . . . 15144 7 14 . 1 1 24 24 THR HG2 H 2 090.65 001.64 . . . . . . . 15144 7 15 . 1 1 25 25 MET HE H 2 062.98 001.46 . . . . . . . 15144 7 16 . 1 1 30 30 ILE HG2 H 2 068.45 001.34 . . . . . . . 15144 7 17 . 1 1 30 30 ILE HD1 H 2 033.49 000.60 . . . . . . . 15144 7 18 . 1 1 32 32 THR HG2 H 2 074.67 002.91 . . . . . . . 15144 7 19 . 1 1 33 33 LEU HD1 H 2 062.52 001.83 . . . . . . . 15144 7 20 . 1 1 33 33 LEU HD2 H 2 067.62 000.69 . . . . . . . 15144 7 21 . 1 1 34 34 LEU HD1 H 2 060.29 001.19 . . . . . . . 15144 7 22 . 1 1 34 34 LEU HD2 H 2 058.34 001.81 . . . . . . . 15144 7 23 . 1 1 37 37 THR HG2 H 2 062.01 001.55 . . . . . . . 15144 7 24 . 1 1 44 44 VAL HG1 H 2 090.61 001.63 . . . . . . . 15144 7 25 . 1 1 44 44 VAL HG2 H 2 082.59 001.07 . . . . . . . 15144 7 26 . 1 1 46 46 VAL HG1 H 2 065.03 001.26 . . . . . . . 15144 7 27 . 1 1 46 46 VAL HG2 H 2 063.42 001.00 . . . . . . . 15144 7 28 . 1 1 53 53 VAL HG1 H 2 098.78 001.12 . . . . . . . 15144 7 29 . 1 1 53 53 VAL HG2 H 2 095.90 001.79 . . . . . . . 15144 7 30 . 1 1 55 55 ALA HB H 2 107.78 000.91 . . . . . . . 15144 7 31 . 1 1 56 56 ALA HB H 2 083.81 001.86 . . . . . . . 15144 7 32 . 1 1 58 58 VAL HG1 H 2 069.81 001.91 . . . . . . . 15144 7 33 . 1 1 58 58 VAL HG2 H 2 077.58 000.84 . . . . . . . 15144 7 34 . 1 1 61 61 LEU HD1 H 2 043.30 001.49 . . . . . . . 15144 7 35 . 1 1 61 61 LEU HD2 H 2 041.46 003.10 . . . . . . . 15144 7 stop_ save_ save_2H_R2_glucose_4 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 2H_R2_glucose_4 _Heteronucl_T2_list.Entry_ID 15144 _Heteronucl_T2_list.ID 8 _Heteronucl_T2_list.Sample_condition_list_ID 8 _Heteronucl_T2_list.Sample_condition_list_label $glucose_sample_condition_4 _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 Dx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'temperatures 30C' _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 4 'methyl 2H R2' . . . 15144 8 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 1 1 MET HE H 2 004.51 001.52 . . . . . . . 15144 8 2 . 1 1 4 4 THR HG2 H 2 034.99 001.14 . . . . . . . 15144 8 3 . 1 1 8 8 LEU HD1 H 2 048.27 000.76 . . . . . . . 15144 8 4 . 1 1 8 8 LEU HD2 H 2 061.94 001.70 . . . . . . . 15144 8 5 . 1 1 9 9 VAL HG1 H 2 073.99 000.91 . . . . . . . 15144 8 6 . 1 1 9 9 VAL HG2 H 2 060.31 000.57 . . . . . . . 15144 8 7 . 1 1 10 10 LEU HD1 H 2 062.52 002.42 . . . . . . . 15144 8 8 . 1 1 10 10 LEU HD2 H 2 050.79 001.30 . . . . . . . 15144 8 9 . 1 1 11 11 ALA HB H 2 095.50 001.85 . . . . . . . 15144 8 10 . 1 1 12 12 LEU HD1 H 2 052.25 000.30 . . . . . . . 15144 8 11 . 1 1 12 12 LEU HD2 H 2 050.57 004.26 . . . . . . . 15144 8 12 . 1 1 23 23 VAL HG1 H 2 048.84 000.63 . . . . . . . 15144 8 13 . 1 1 23 23 VAL HG2 H 2 047.37 000.31 . . . . . . . 15144 8 14 . 1 1 24 24 THR HG2 H 2 080.78 000.95 . . . . . . . 15144 8 15 . 1 1 25 25 MET HE H 2 057.34 001.38 . . . . . . . 15144 8 16 . 1 1 30 30 ILE HG2 H 2 061.56 001.16 . . . . . . . 15144 8 17 . 1 1 30 30 ILE HD1 H 2 028.77 000.34 . . . . . . . 15144 8 18 . 1 1 32 32 THR HG2 H 2 067.15 002.33 . . . . . . . 15144 8 19 . 1 1 33 33 LEU HD1 H 2 054.25 002.02 . . . . . . . 15144 8 20 . 1 1 33 33 LEU HD2 H 2 059.72 000.55 . . . . . . . 15144 8 21 . 1 1 34 34 LEU HD1 H 2 053.95 000.70 . . . . . . . 15144 8 22 . 1 1 34 34 LEU HD2 H 2 052.04 002.24 . . . . . . . 15144 8 23 . 1 1 37 37 THR HG2 H 2 056.10 001.50 . . . . . . . 15144 8 24 . 1 1 44 44 VAL HG1 H 2 078.99 001.07 . . . . . . . 15144 8 25 . 1 1 44 44 VAL HG2 H 2 073.80 000.95 . . . . . . . 15144 8 26 . 1 1 46 46 VAL HG1 H 2 057.69 000.64 . . . . . . . 15144 8 27 . 1 1 46 46 VAL HG2 H 2 058.37 000.59 . . . . . . . 15144 8 28 . 1 1 53 53 VAL HG1 H 2 086.69 001.10 . . . . . . . 15144 8 29 . 1 1 53 53 VAL HG2 H 2 087.60 001.16 . . . . . . . 15144 8 30 . 1 1 55 55 ALA HB H 2 096.38 000.64 . . . . . . . 15144 8 31 . 1 1 56 56 ALA HB H 2 076.18 001.06 . . . . . . . 15144 8 32 . 1 1 58 58 VAL HG1 H 2 063.38 000.43 . . . . . . . 15144 8 33 . 1 1 58 58 VAL HG2 H 2 069.42 001.28 . . . . . . . 15144 8 34 . 1 1 61 61 LEU HD1 H 2 039.47 000.65 . . . . . . . 15144 8 35 . 1 1 61 61 LEU HD2 H 2 039.33 001.29 . . . . . . . 15144 8 stop_ save_ ###################### # Order parameters # ###################### save_S2_taue_pyruvate1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_taue_pyruvate1 _Order_parameter_list.Entry_ID 15144 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $pyruvate_sample_condition_1 _Order_parameter_list.Tau_e_val_units ps _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 'temperatures 10C (in this particular order)' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 'methyl 2H R1' . . . 15144 1 2 'methyl 2H R2' . . . 15144 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 8 8 LEU HD1 H 2 0.608 0.018 027.90 000.60 . . . . . . . . . . . . . . . . . . . . . 15144 1 2 . 1 1 8 8 LEU HD2 H 2 0.705 0.021 049.40 001.22 . . . . . . . . . . . . . . . . . . . . . 15144 1 3 . 1 1 9 9 VAL HG1 H 2 0.816 0.025 090.30 002.50 . . . . . . . . . . . . . . . . . . . . . 15144 1 4 . 1 1 9 9 VAL HG2 H 2 0.743 0.025 029.80 001.20 . . . . . . . . . . . . . . . . . . . . . 15144 1 5 . 1 1 10 10 LEU HD1 H 2 0.674 0.031 059.70 002.05 . . . . . . . . . . . . . . . . . . . . . 15144 1 6 . 1 1 10 10 LEU HD2 H 2 0.598 0.018 048.00 000.82 . . . . . . . . . . . . . . . . . . . . . 15144 1 7 . 1 1 12 12 LEU HD1 H 2 0.669 0.025 027.40 000.58 . . . . . . . . . . . . . . . . . . . . . 15144 1 8 . 1 1 12 12 LEU HD2 H 2 0.715 0.051 053.80 000.97 . . . . . . . . . . . . . . . . . . . . . 15144 1 9 . 1 1 23 23 VAL HG1 H 2 0.291 0.026 111.40 002.16 . . . . . . . . . . . . . . . . . . . . . 15144 1 10 . 1 1 23 23 VAL HG2 H 2 0.310 0.021 103.80 002.86 . . . . . . . . . . . . . . . . . . . . . 15144 1 11 . 1 1 30 30 ILE HG2 H 2 0.842 0.052 029.70 002.86 . . . . . . . . . . . . . . . . . . . . . 15144 1 12 . 1 1 31 31 LEU HD1 H 2 0.301 0.027 088.50 001.38 . . . . . . . . . . . . . . . . . . . . . 15144 1 13 . 1 1 31 31 LEU HD2 H 2 0.332 0.014 043.00 000.95 . . . . . . . . . . . . . . . . . . . . . 15144 1 14 . 1 1 33 33 LEU HD1 H 2 0.706 0.015 031.60 001.12 . . . . . . . . . . . . . . . . . . . . . 15144 1 15 . 1 1 33 33 LEU HD2 H 2 0.774 0.023 035.10 000.68 . . . . . . . . . . . . . . . . . . . . . 15144 1 16 . 1 1 34 34 LEU HD1 H 2 0.625 0.021 046.60 000.78 . . . . . . . . . . . . . . . . . . . . . 15144 1 17 . 1 1 34 34 LEU HD2 H 2 0.651 0.036 052.70 001.61 . . . . . . . . . . . . . . . . . . . . . 15144 1 18 . 1 1 44 44 VAL HG1 H 2 0.841 0.037 095.00 001.81 . . . . . . . . . . . . . . . . . . . . . 15144 1 19 . 1 1 44 44 VAL HG2 H 2 0.892 0.012 068.10 001.42 . . . . . . . . . . . . . . . . . . . . . 15144 1 20 . 1 1 46 46 VAL HG1 H 2 0.612 0.014 064.60 000.77 . . . . . . . . . . . . . . . . . . . . . 15144 1 21 . 1 1 46 46 VAL HG2 H 2 0.618 0.009 058.10 000.91 . . . . . . . . . . . . . . . . . . . . . 15144 1 22 . 1 1 53 53 VAL HG1 H 2 0.872 0.034 127.10 004.80 . . . . . . . . . . . . . . . . . . . . . 15144 1 23 . 1 1 53 53 VAL HG2 H 2 0.701 0.035 124.70 002.58 . . . . . . . . . . . . . . . . . . . . . 15144 1 24 . 1 1 56 56 ALA HB H 2 1.012 0.079 054.70 005.63 . . . . . . . . . . . . . . . . . . . . . 15144 1 25 . 1 1 58 58 VAL HG1 H 2 0.712 0.028 060.40 000.85 . . . . . . . . . . . . . . . . . . . . . 15144 1 26 . 1 1 58 58 VAL HG2 H 2 0.808 0.031 065.90 001.21 . . . . . . . . . . . . . . . . . . . . . 15144 1 27 . 1 1 61 61 LEU HD1 H 2 0.434 0.009 033.00 000.66 . . . . . . . . . . . . . . . . . . . . . 15144 1 28 . 1 1 61 61 LEU HD2 H 2 0.420 0.012 041.20 000.97 . . . . . . . . . . . . . . . . . . . . . 15144 1 stop_ save_ save_S2_taue_pyruvate2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_taue_pyruvate2 _Order_parameter_list.Entry_ID 15144 _Order_parameter_list.ID 2 _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $pyruvate_sample_condition_2 _Order_parameter_list.Tau_e_val_units ps _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 'temperatures 17C (in this particular order)' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 'methyl 2H R1' . . . 15144 2 2 'methyl 2H R2' . . . 15144 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 8 8 LEU HD1 H 2 0.667 0.011 022.80 000.91 . . . . . . . . . . . . . . . . . . . . . 15144 2 2 . 1 1 8 8 LEU HD2 H 2 0.717 0.015 046.00 001.01 . . . . . . . . . . . . . . . . . . . . . 15144 2 3 . 1 1 9 9 VAL HG1 H 2 0.807 0.032 082.00 001.16 . . . . . . . . . . . . . . . . . . . . . 15144 2 4 . 1 1 9 9 VAL HG2 H 2 0.802 0.016 025.70 001.01 . . . . . . . . . . . . . . . . . . . . . 15144 2 5 . 1 1 10 10 LEU HD1 H 2 0.670 0.030 051.80 000.81 . . . . . . . . . . . . . . . . . . . . . 15144 2 6 . 1 1 10 10 LEU HD2 H 2 0.633 0.009 043.90 000.55 . . . . . . . . . . . . . . . . . . . . . 15144 2 7 . 1 1 12 12 LEU HD1 H 2 0.715 0.012 022.60 000.61 . . . . . . . . . . . . . . . . . . . . . 15144 2 8 . 1 1 12 12 LEU HD2 H 2 0.732 0.024 047.30 001.27 . . . . . . . . . . . . . . . . . . . . . 15144 2 9 . 1 1 23 23 VAL HG1 H 2 0.355 0.017 098.10 001.95 . . . . . . . . . . . . . . . . . . . . . 15144 2 10 . 1 1 23 23 VAL HG2 H 2 0.375 0.007 092.10 000.96 . . . . . . . . . . . . . . . . . . . . . 15144 2 11 . 1 1 30 30 ILE HG2 H 2 0.836 0.035 023.30 001.75 . . . . . . . . . . . . . . . . . . . . . 15144 2 12 . 1 1 31 31 LEU HD1 H 2 0.327 0.010 072.80 000.79 . . . . . . . . . . . . . . . . . . . . . 15144 2 13 . 1 1 31 31 LEU HD2 H 2 0.336 0.008 038.30 000.53 . . . . . . . . . . . . . . . . . . . . . 15144 2 14 . 1 1 33 33 LEU HD1 H 2 0.753 0.028 026.80 001.31 . . . . . . . . . . . . . . . . . . . . . 15144 2 15 . 1 1 33 33 LEU HD2 H 2 0.764 0.014 030.10 000.69 . . . . . . . . . . . . . . . . . . . . . 15144 2 16 . 1 1 34 34 LEU HD1 H 2 0.668 0.014 040.50 000.68 . . . . . . . . . . . . . . . . . . . . . 15144 2 17 . 1 1 34 34 LEU HD2 H 2 0.627 0.011 046.40 001.22 . . . . . . . . . . . . . . . . . . . . . 15144 2 18 . 1 1 44 44 VAL HG1 H 2 0.913 0.026 077.00 001.30 . . . . . . . . . . . . . . . . . . . . . 15144 2 19 . 1 1 44 44 VAL HG2 H 2 0.921 0.025 062.50 001.63 . . . . . . . . . . . . . . . . . . . . . 15144 2 20 . 1 1 46 46 VAL HG1 H 2 0.659 0.010 058.30 000.81 . . . . . . . . . . . . . . . . . . . . . 15144 2 21 . 1 1 46 46 VAL HG2 H 2 0.657 0.011 052.00 001.21 . . . . . . . . . . . . . . . . . . . . . 15144 2 22 . 1 1 53 53 VAL HG1 H 2 0.880 0.024 109.30 002.46 . . . . . . . . . . . . . . . . . . . . . 15144 2 23 . 1 1 53 53 VAL HG2 H 2 0.835 0.029 107.50 004.18 . . . . . . . . . . . . . . . . . . . . . 15144 2 24 . 1 1 56 56 ALA HB H 2 0.988 0.068 055.50 012.63 . . . . . . . . . . . . . . . . . . . . . 15144 2 25 . 1 1 58 58 VAL HG1 H 2 0.752 0.027 052.10 000.86 . . . . . . . . . . . . . . . . . . . . . 15144 2 26 . 1 1 58 58 VAL HG2 H 2 0.796 0.027 056.10 001.33 . . . . . . . . . . . . . . . . . . . . . 15144 2 27 . 1 1 61 61 LEU HD1 H 2 0.467 0.007 029.30 000.65 . . . . . . . . . . . . . . . . . . . . . 15144 2 28 . 1 1 61 61 LEU HD2 H 2 0.464 0.016 035.90 000.77 . . . . . . . . . . . . . . . . . . . . . 15144 2 stop_ save_ save_S2_taue_pyruvate3 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_taue_pyruvate3 _Order_parameter_list.Entry_ID 15144 _Order_parameter_list.ID 3 _Order_parameter_list.Sample_condition_list_ID 3 _Order_parameter_list.Sample_condition_list_label $pyruvate_sample_condition_3 _Order_parameter_list.Tau_e_val_units ps _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 'temperatures 24C (in this particular order)' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 'methyl 2H R1' . . . 15144 3 2 'methyl 2H R2' . . . 15144 3 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 8 8 LEU HD1 H 2 0.612 0.009 023.90 000.83 . . . . . . . . . . . . . . . . . . . . . 15144 3 2 . 1 1 8 8 LEU HD2 H 2 0.651 0.017 040.30 000.90 . . . . . . . . . . . . . . . . . . . . . 15144 3 3 . 1 1 9 9 VAL HG1 H 2 0.677 0.026 073.70 002.14 . . . . . . . . . . . . . . . . . . . . . 15144 3 4 . 1 1 9 9 VAL HG2 H 2 0.726 0.015 026.30 000.90 . . . . . . . . . . . . . . . . . . . . . 15144 3 5 . 1 1 10 10 LEU HD1 H 2 0.622 0.020 045.90 001.09 . . . . . . . . . . . . . . . . . . . . . 15144 3 6 . 1 1 10 10 LEU HD2 H 2 0.581 0.008 039.70 000.71 . . . . . . . . . . . . . . . . . . . . . 15144 3 7 . 1 1 12 12 LEU HD1 H 2 0.682 0.014 021.20 000.63 . . . . . . . . . . . . . . . . . . . . . 15144 3 8 . 1 1 12 12 LEU HD2 H 2 0.668 0.029 044.90 001.45 . . . . . . . . . . . . . . . . . . . . . 15144 3 9 . 1 1 23 23 VAL HG1 H 2 0.321 0.013 084.90 001.17 . . . . . . . . . . . . . . . . . . . . . 15144 3 10 . 1 1 23 23 VAL HG2 H 2 0.321 0.014 079.70 001.44 . . . . . . . . . . . . . . . . . . . . . 15144 3 11 . 1 1 30 30 ILE HG2 H 2 0.675 0.020 029.50 001.74 . . . . . . . . . . . . . . . . . . . . . 15144 3 12 . 1 1 31 31 LEU HD1 H 2 0.287 0.018 060.60 000.88 . . . . . . . . . . . . . . . . . . . . . 15144 3 13 . 1 1 31 31 LEU HD2 H 2 0.294 0.005 033.50 000.35 . . . . . . . . . . . . . . . . . . . . . 15144 3 14 . 1 1 33 33 LEU HD1 H 2 0.678 0.012 026.90 000.72 . . . . . . . . . . . . . . . . . . . . . 15144 3 15 . 1 1 33 33 LEU HD2 H 2 0.753 0.017 029.20 001.31 . . . . . . . . . . . . . . . . . . . . . 15144 3 16 . 1 1 34 34 LEU HD1 H 2 0.605 0.010 035.90 000.55 . . . . . . . . . . . . . . . . . . . . . 15144 3 17 . 1 1 34 34 LEU HD2 H 2 0.624 0.014 040.30 000.96 . . . . . . . . . . . . . . . . . . . . . 15144 3 18 . 1 1 44 44 VAL HG1 H 2 0.873 0.019 065.20 001.72 . . . . . . . . . . . . . . . . . . . . . 15144 3 19 . 1 1 44 44 VAL HG2 H 2 0.819 0.032 061.80 001.97 . . . . . . . . . . . . . . . . . . . . . 15144 3 20 . 1 1 46 46 VAL HG1 H 2 0.581 0.011 055.30 001.23 . . . . . . . . . . . . . . . . . . . . . 15144 3 21 . 1 1 46 46 VAL HG2 H 2 0.602 0.018 048.50 001.46 . . . . . . . . . . . . . . . . . . . . . 15144 3 22 . 1 1 53 53 VAL HG1 H 2 0.857 0.026 096.60 003.19 . . . . . . . . . . . . . . . . . . . . . 15144 3 23 . 1 1 53 53 VAL HG2 H 2 0.806 0.013 093.00 001.62 . . . . . . . . . . . . . . . . . . . . . 15144 3 24 . 1 1 56 56 ALA HB H 2 0.798 0.068 049.20 008.14 . . . . . . . . . . . . . . . . . . . . . 15144 3 25 . 1 1 58 58 VAL HG1 H 2 0.694 0.014 048.30 001.27 . . . . . . . . . . . . . . . . . . . . . 15144 3 26 . 1 1 58 58 VAL HG2 H 2 0.714 0.019 050.20 001.09 . . . . . . . . . . . . . . . . . . . . . 15144 3 27 . 1 1 61 61 LEU HD1 H 2 0.428 0.015 028.30 000.72 . . . . . . . . . . . . . . . . . . . . . 15144 3 28 . 1 1 61 61 LEU HD2 H 2 0.414 0.006 033.30 000.61 . . . . . . . . . . . . . . . . . . . . . 15144 3 stop_ save_ save_S2_taue_pyruvate4 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_taue_pyruvate4 _Order_parameter_list.Entry_ID 15144 _Order_parameter_list.ID 4 _Order_parameter_list.Sample_condition_list_ID 4 _Order_parameter_list.Sample_condition_list_label $pyruvate_sample_condition_4 _Order_parameter_list.Tau_e_val_units ps _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 'temperatures 30C (in this particular order)' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 'methyl 2H R1' . . . 15144 4 2 'methyl 2H R2' . . . 15144 4 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 8 8 LEU HD1 H 2 0.628 0.014 019.30 000.98 . . . . . . . . . . . . . . . . . . . . . 15144 4 2 . 1 1 8 8 LEU HD2 H 2 0.654 0.017 039.50 000.99 . . . . . . . . . . . . . . . . . . . . . 15144 4 3 . 1 1 9 9 VAL HG1 H 2 0.755 0.022 061.70 001.57 . . . . . . . . . . . . . . . . . . . . . 15144 4 4 . 1 1 9 9 VAL HG2 H 2 0.761 0.017 020.90 001.23 . . . . . . . . . . . . . . . . . . . . . 15144 4 5 . 1 1 10 10 LEU HD1 H 2 0.595 0.038 043.50 002.08 . . . . . . . . . . . . . . . . . . . . . 15144 4 6 . 1 1 10 10 LEU HD2 H 2 0.541 0.022 033.70 000.94 . . . . . . . . . . . . . . . . . . . . . 15144 4 7 . 1 1 12 12 LEU HD1 H 2 0.645 0.028 020.10 001.29 . . . . . . . . . . . . . . . . . . . . . 15144 4 8 . 1 1 12 12 LEU HD2 H 2 0.637 0.022 039.10 001.43 . . . . . . . . . . . . . . . . . . . . . 15144 4 9 . 1 1 23 23 VAL HG1 H 2 0.294 0.023 078.30 001.87 . . . . . . . . . . . . . . . . . . . . . 15144 4 10 . 1 1 23 23 VAL HG2 H 2 0.286 0.027 074.80 001.98 . . . . . . . . . . . . . . . . . . . . . 15144 4 11 . 1 1 30 30 ILE HG2 H 2 0.769 0.067 024.80 002.57 . . . . . . . . . . . . . . . . . . . . . 15144 4 12 . 1 1 31 31 LEU HD1 H 2 0.281 0.020 051.20 001.25 . . . . . . . . . . . . . . . . . . . . . 15144 4 13 . 1 1 31 31 LEU HD2 H 2 0.274 0.011 030.20 000.64 . . . . . . . . . . . . . . . . . . . . . 15144 4 14 . 1 1 33 33 LEU HD1 H 2 0.683 0.021 023.60 001.72 . . . . . . . . . . . . . . . . . . . . . 15144 4 15 . 1 1 33 33 LEU HD2 H 2 0.720 0.020 026.40 000.89 . . . . . . . . . . . . . . . . . . . . . 15144 4 16 . 1 1 34 34 LEU HD1 H 2 0.597 0.025 031.70 001.21 . . . . . . . . . . . . . . . . . . . . . 15144 4 17 . 1 1 34 34 LEU HD2 H 2 0.634 0.027 033.60 001.65 . . . . . . . . . . . . . . . . . . . . . 15144 4 18 . 1 1 44 44 VAL HG1 H 2 0.897 0.032 056.10 001.66 . . . . . . . . . . . . . . . . . . . . . 15144 4 19 . 1 1 44 44 VAL HG2 H 2 0.790 0.030 054.00 001.86 . . . . . . . . . . . . . . . . . . . . . 15144 4 20 . 1 1 46 46 VAL HG1 H 2 0.560 0.013 050.80 000.81 . . . . . . . . . . . . . . . . . . . . . 15144 4 21 . 1 1 46 46 VAL HG2 H 2 0.599 0.008 044.30 000.90 . . . . . . . . . . . . . . . . . . . . . 15144 4 22 . 1 1 53 53 VAL HG1 H 2 0.822 0.043 087.80 004.93 . . . . . . . . . . . . . . . . . . . . . 15144 4 23 . 1 1 53 53 VAL HG2 H 2 0.774 0.021 086.20 003.10 . . . . . . . . . . . . . . . . . . . . . 15144 4 24 . 1 1 56 56 ALA HB H 2 0.798 0.128 051.00 006.56 . . . . . . . . . . . . . . . . . . . . . 15144 4 25 . 1 1 58 58 VAL HG1 H 2 0.676 0.028 044.60 002.33 . . . . . . . . . . . . . . . . . . . . . 15144 4 26 . 1 1 58 58 VAL HG2 H 2 0.748 0.013 040.50 001.50 . . . . . . . . . . . . . . . . . . . . . 15144 4 27 . 1 1 61 61 LEU HD1 H 2 0.434 0.021 024.00 001.46 . . . . . . . . . . . . . . . . . . . . . 15144 4 28 . 1 1 61 61 LEU HD2 H 2 0.393 0.026 029.60 001.64 . . . . . . . . . . . . . . . . . . . . . 15144 4 stop_ save_ save_S2_taue_glucose1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_taue_glucose1 _Order_parameter_list.Entry_ID 15144 _Order_parameter_list.ID 5 _Order_parameter_list.Sample_condition_list_ID 5 _Order_parameter_list.Sample_condition_list_label $glucose_sample_condition_1 _Order_parameter_list.Tau_e_val_units ps _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 'temperatures 10C (in this particular order)' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 'methyl 2H R1' . . . 15144 5 2 'methyl 2H R2' . . . 15144 5 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 8 8 LEU HD1 H 2 0.668 0.023 026.20 000.74 . . . . . . . . . . . . . . . . . . . . . 15144 5 2 . 1 1 8 8 LEU HD2 H 2 0.965 0.186 051.80 004.87 . . . . . . . . . . . . . . . . . . . . . 15144 5 3 . 1 1 9 9 VAL HG1 H 2 0.839 0.036 088.50 001.21 . . . . . . . . . . . . . . . . . . . . . 15144 5 4 . 1 1 9 9 VAL HG2 H 2 0.788 0.005 029.00 000.64 . . . . . . . . . . . . . . . . . . . . . 15144 5 5 . 1 1 10 10 LEU HD1 H 2 0.671 0.074 057.10 008.63 . . . . . . . . . . . . . . . . . . . . . 15144 5 6 . 1 1 10 10 LEU HD2 H 2 0.654 0.037 051.00 001.48 . . . . . . . . . . . . . . . . . . . . . 15144 5 7 . 1 1 11 11 ALA HB H 2 0.887 0.020 135.60 004.33 . . . . . . . . . . . . . . . . . . . . . 15144 5 8 . 1 1 12 12 LEU HD1 H 2 0.685 0.032 027.00 001.42 . . . . . . . . . . . . . . . . . . . . . 15144 5 9 . 1 1 12 12 LEU HD2 H 2 0.547 0.101 060.10 003.66 . . . . . . . . . . . . . . . . . . . . . 15144 5 10 . 1 1 23 23 VAL HG1 H 2 0.342 0.019 110.10 001.91 . . . . . . . . . . . . . . . . . . . . . 15144 5 11 . 1 1 23 23 VAL HG2 H 2 0.351 0.007 101.70 000.61 . . . . . . . . . . . . . . . . . . . . . 15144 5 12 . 1 1 24 24 THR HG2 H 2 0.966 0.056 088.60 002.40 . . . . . . . . . . . . . . . . . . . . . 15144 5 13 . 1 1 25 25 MET HE H 2 0.802 0.015 010.20 000.81 . . . . . . . . . . . . . . . . . . . . . 15144 5 14 . 1 1 30 30 ILE HG2 H 2 0.778 0.030 034.20 001.33 . . . . . . . . . . . . . . . . . . . . . 15144 5 15 . 1 1 30 30 ILE HD1 H 2 0.295 0.008 033.60 000.37 . . . . . . . . . . . . . . . . . . . . . 15144 5 16 . 1 1 32 32 THR HG2 H 2 0.693 0.025 079.90 002.91 . . . . . . . . . . . . . . . . . . . . . 15144 5 17 . 1 1 33 33 LEU HD1 H 2 0.738 0.044 030.30 001.04 . . . . . . . . . . . . . . . . . . . . . 15144 5 18 . 1 1 33 33 LEU HD2 H 2 0.690 0.053 040.90 002.03 . . . . . . . . . . . . . . . . . . . . . 15144 5 19 . 1 1 34 34 LEU HD1 H 2 0.643 0.019 048.00 001.42 . . . . . . . . . . . . . . . . . . . . . 15144 5 20 . 1 1 34 34 LEU HD2 H 2 0.462 0.054 057.50 003.62 . . . . . . . . . . . . . . . . . . . . . 15144 5 21 . 1 1 37 37 THR HG2 H 2 0.632 0.011 056.00 000.51 . . . . . . . . . . . . . . . . . . . . . 15144 5 22 . 1 1 44 44 VAL HG1 H 2 0.813 0.086 090.40 002.59 . . . . . . . . . . . . . . . . . . . . . 15144 5 23 . 1 1 44 44 VAL HG2 H 2 0.862 0.023 074.40 002.37 . . . . . . . . . . . . . . . . . . . . . 15144 5 24 . 1 1 46 46 VAL HG1 H 2 0.599 0.012 067.00 001.44 . . . . . . . . . . . . . . . . . . . . . 15144 5 25 . 1 1 46 46 VAL HG2 H 2 0.653 0.006 059.70 000.89 . . . . . . . . . . . . . . . . . . . . . 15144 5 26 . 1 1 53 53 VAL HG1 H 2 0.871 0.034 121.60 001.41 . . . . . . . . . . . . . . . . . . . . . 15144 5 27 . 1 1 53 53 VAL HG2 H 2 0.976 0.033 141.80 003.82 . . . . . . . . . . . . . . . . . . . . . 15144 5 28 . 1 1 55 55 ALA HB H 2 0.926 0.033 159.20 005.98 . . . . . . . . . . . . . . . . . . . . . 15144 5 29 . 1 1 56 56 ALA HB H 2 0.868 0.026 070.70 002.05 . . . . . . . . . . . . . . . . . . . . . 15144 5 30 . 1 1 58 58 VAL HG1 H 2 0.737 0.018 057.80 001.43 . . . . . . . . . . . . . . . . . . . . . 15144 5 31 . 1 1 58 58 VAL HG2 H 2 0.832 0.033 071.10 001.26 . . . . . . . . . . . . . . . . . . . . . 15144 5 32 . 1 1 61 61 LEU HD1 H 2 0.412 0.020 033.70 000.55 . . . . . . . . . . . . . . . . . . . . . 15144 5 33 . 1 1 61 61 LEU HD2 H 2 0.522 0.041 041.30 002.16 . . . . . . . . . . . . . . . . . . . . . 15144 5 stop_ save_ save_S2_taue_glucose2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_taue_glucose2 _Order_parameter_list.Entry_ID 15144 _Order_parameter_list.ID 6 _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $pyruvate_sample_condition_2 _Order_parameter_list.Tau_e_val_units ps _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 'temperatures 17C (in this particular order)' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 'methyl 2H R1' . . . 15144 6 2 'methyl 2H R2' . . . 15144 6 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 8 8 LEU HD1 H 2 0.625 0.018 022.60 001.50 . . . . . . . . . . . . . . . . . . . . . 15144 6 2 . 1 1 8 8 LEU HD2 H 2 0.702 0.018 044.10 001.73 . . . . . . . . . . . . . . . . . . . . . 15144 6 3 . 1 1 9 9 VAL HG1 H 2 0.763 0.028 077.60 002.17 . . . . . . . . . . . . . . . . . . . . . 15144 6 4 . 1 1 9 9 VAL HG2 H 2 0.782 0.019 025.60 000.85 . . . . . . . . . . . . . . . . . . . . . 15144 6 5 . 1 1 10 10 LEU HD1 H 2 0.703 0.058 058.60 005.28 . . . . . . . . . . . . . . . . . . . . . 15144 6 6 . 1 1 10 10 LEU HD2 H 2 0.634 0.012 041.40 000.99 . . . . . . . . . . . . . . . . . . . . . 15144 6 7 . 1 1 11 11 ALA HB H 2 0.889 0.028 112.70 002.94 . . . . . . . . . . . . . . . . . . . . . 15144 6 8 . 1 1 12 12 LEU HD1 H 2 0.688 0.019 022.00 001.43 . . . . . . . . . . . . . . . . . . . . . 15144 6 9 . 1 1 12 12 LEU HD2 H 2 0.562 0.065 049.70 005.03 . . . . . . . . . . . . . . . . . . . . . 15144 6 10 . 1 1 23 23 VAL HG1 H 2 0.311 0.024 094.40 001.98 . . . . . . . . . . . . . . . . . . . . . 15144 6 11 . 1 1 23 23 VAL HG2 H 2 0.309 0.020 090.20 001.41 . . . . . . . . . . . . . . . . . . . . . 15144 6 12 . 1 1 24 24 THR HG2 H 2 0.870 0.013 071.00 001.24 . . . . . . . . . . . . . . . . . . . . . 15144 6 13 . 1 1 25 25 MET HE H 2 0.805 0.017 009.60 001.16 . . . . . . . . . . . . . . . . . . . . . 15144 6 14 . 1 1 30 30 ILE HG2 H 2 0.793 0.022 029.20 001.17 . . . . . . . . . . . . . . . . . . . . . 15144 6 15 . 1 1 30 30 ILE HD1 H 2 0.269 0.013 032.80 000.97 . . . . . . . . . . . . . . . . . . . . . 15144 6 16 . 1 1 32 32 THR HG2 H 2 0.700 0.056 068.80 003.56 . . . . . . . . . . . . . . . . . . . . . 15144 6 17 . 1 1 33 33 LEU HD1 H 2 0.665 0.031 028.50 002.50 . . . . . . . . . . . . . . . . . . . . . 15144 6 18 . 1 1 33 33 LEU HD2 H 2 0.743 0.026 031.40 001.59 . . . . . . . . . . . . . . . . . . . . . 15144 6 19 . 1 1 34 34 LEU HD1 H 2 0.629 0.016 038.60 001.41 . . . . . . . . . . . . . . . . . . . . . 15144 6 20 . 1 1 34 34 LEU HD2 H 2 0.586 0.045 046.20 005.66 . . . . . . . . . . . . . . . . . . . . . 15144 6 21 . 1 1 37 37 THR HG2 H 2 0.609 0.031 050.10 001.57 . . . . . . . . . . . . . . . . . . . . . 15144 6 22 . 1 1 44 44 VAL HG1 H 2 0.881 0.021 076.70 001.78 . . . . . . . . . . . . . . . . . . . . . 15144 6 23 . 1 1 44 44 VAL HG2 H 2 0.828 0.020 062.40 002.05 . . . . . . . . . . . . . . . . . . . . . 15144 6 24 . 1 1 46 46 VAL HG1 H 2 0.583 0.015 058.50 001.16 . . . . . . . . . . . . . . . . . . . . . 15144 6 25 . 1 1 46 46 VAL HG2 H 2 0.617 0.013 054.10 001.22 . . . . . . . . . . . . . . . . . . . . . 15144 6 26 . 1 1 53 53 VAL HG1 H 2 0.815 0.034 109.60 001.88 . . . . . . . . . . . . . . . . . . . . . 15144 6 27 . 1 1 53 53 VAL HG2 H 2 0.830 0.025 109.80 001.79 . . . . . . . . . . . . . . . . . . . . . 15144 6 28 . 1 1 55 55 ALA HB H 2 0.888 0.033 127.80 002.87 . . . . . . . . . . . . . . . . . . . . . 15144 6 29 . 1 1 56 56 ALA HB H 2 0.878 0.025 058.60 001.03 . . . . . . . . . . . . . . . . . . . . . 15144 6 30 . 1 1 58 58 VAL HG1 H 2 0.695 0.019 051.60 000.84 . . . . . . . . . . . . . . . . . . . . . 15144 6 31 . 1 1 58 58 VAL HG2 H 2 0.734 0.028 058.00 001.50 . . . . . . . . . . . . . . . . . . . . . 15144 6 32 . 1 1 61 61 LEU HD1 H 2 0.430 0.017 030.50 000.90 . . . . . . . . . . . . . . . . . . . . . 15144 6 33 . 1 1 61 61 LEU HD2 H 2 0.395 0.034 036.00 001.47 . . . . . . . . . . . . . . . . . . . . . 15144 6 stop_ save_ save_S2_taue_glucose3 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_taue_glucose3 _Order_parameter_list.Entry_ID 15144 _Order_parameter_list.ID 7 _Order_parameter_list.Sample_condition_list_ID 3 _Order_parameter_list.Sample_condition_list_label $pyruvate_sample_condition_3 _Order_parameter_list.Tau_e_val_units ps _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 'temperatures 24C in this particular order)' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 'methyl 2H R1' . . . 15144 7 2 'methyl 2H R2' . . . 15144 7 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 8 8 LEU HD1 H 2 0.629 0.016 021.00 000.70 . . . . . . . . . . . . . . . . . . . . . 15144 7 2 . 1 1 8 8 LEU HD2 H 2 0.752 0.035 038.60 004.00 . . . . . . . . . . . . . . . . . . . . . 15144 7 3 . 1 1 9 9 VAL HG1 H 2 0.757 0.020 069.40 001.10 . . . . . . . . . . . . . . . . . . . . . 15144 7 4 . 1 1 9 9 VAL HG2 H 2 0.776 0.017 024.60 000.75 . . . . . . . . . . . . . . . . . . . . . 15144 7 5 . 1 1 10 10 LEU HD1 H 2 0.695 0.070 046.00 006.05 . . . . . . . . . . . . . . . . . . . . . 15144 7 6 . 1 1 10 10 LEU HD2 H 2 0.572 0.022 039.00 001.41 . . . . . . . . . . . . . . . . . . . . . 15144 7 7 . 1 1 11 11 ALA HB H 2 0.910 0.034 095.70 000.87 . . . . . . . . . . . . . . . . . . . . . 15144 7 8 . 1 1 12 12 LEU HD1 H 2 0.636 0.017 021.40 001.00 . . . . . . . . . . . . . . . . . . . . . 15144 7 9 . 1 1 12 12 LEU HD2 H 2 0.542 0.103 043.50 004.62 . . . . . . . . . . . . . . . . . . . . . 15144 7 10 . 1 1 23 23 VAL HG1 H 2 0.282 0.023 083.70 001.42 . . . . . . . . . . . . . . . . . . . . . 15144 7 11 . 1 1 23 23 VAL HG2 H 2 0.301 0.013 079.20 000.82 . . . . . . . . . . . . . . . . . . . . . 15144 7 12 . 1 1 24 24 THR HG2 H 2 0.890 0.026 061.70 001.46 . . . . . . . . . . . . . . . . . . . . . 15144 7 13 . 1 1 25 25 MET HE H 2 0.776 0.021 009.80 000.84 . . . . . . . . . . . . . . . . . . . . . 15144 7 14 . 1 1 30 30 ILE HG2 H 2 0.760 0.021 027.60 001.12 . . . . . . . . . . . . . . . . . . . . . 15144 7 15 . 1 1 30 30 ILE HD1 H 2 0.291 0.010 028.30 000.87 . . . . . . . . . . . . . . . . . . . . . 15144 7 16 . 1 1 32 32 THR HG2 H 2 0.677 0.052 060.90 003.24 . . . . . . . . . . . . . . . . . . . . . 15144 7 17 . 1 1 33 33 LEU HD1 H 2 0.708 0.030 022.10 001.81 . . . . . . . . . . . . . . . . . . . . . 15144 7 18 . 1 1 33 33 LEU HD2 H 2 0.740 0.013 029.30 001.07 . . . . . . . . . . . . . . . . . . . . . 15144 7 19 . 1 1 34 34 LEU HD1 H 2 0.613 0.017 035.30 000.71 . . . . . . . . . . . . . . . . . . . . . 15144 7 20 . 1 1 34 34 LEU HD2 H 2 0.570 0.029 038.60 002.75 . . . . . . . . . . . . . . . . . . . . . 15144 7 21 . 1 1 37 37 THR HG2 H 2 0.569 0.025 048.40 001.64 . . . . . . . . . . . . . . . . . . . . . 15144 7 22 . 1 1 44 44 VAL HG1 H 2 0.883 0.026 063.00 001.20 . . . . . . . . . . . . . . . . . . . . . 15144 7 23 . 1 1 44 44 VAL HG2 H 2 0.796 0.018 058.70 001.66 . . . . . . . . . . . . . . . . . . . . . 15144 7 24 . 1 1 46 46 VAL HG1 H 2 0.582 0.017 054.00 000.77 . . . . . . . . . . . . . . . . . . . . . 15144 7 25 . 1 1 46 46 VAL HG2 H 2 0.593 0.016 047.50 000.89 . . . . . . . . . . . . . . . . . . . . . 15144 7 26 . 1 1 53 53 VAL HG1 H 2 0.836 0.018 095.40 000.88 . . . . . . . . . . . . . . . . . . . . . 15144 7 27 . 1 1 53 53 VAL HG2 H 2 0.797 0.027 095.20 002.13 . . . . . . . . . . . . . . . . . . . . . 15144 7 28 . 1 1 55 55 ALA HB H 2 0.878 0.016 112.50 002.00 . . . . . . . . . . . . . . . . . . . . . 15144 7 29 . 1 1 56 56 ALA HB H 2 0.852 0.032 050.70 000.96 . . . . . . . . . . . . . . . . . . . . . 15144 7 30 . 1 1 58 58 VAL HG1 H 2 0.684 0.030 046.40 001.14 . . . . . . . . . . . . . . . . . . . . . 15144 7 31 . 1 1 58 58 VAL HG2 H 2 0.773 0.013 049.60 001.00 . . . . . . . . . . . . . . . . . . . . . 15144 7 32 . 1 1 61 61 LEU HD1 H 2 0.423 0.024 028.10 000.66 . . . . . . . . . . . . . . . . . . . . . 15144 7 33 . 1 1 61 61 LEU HD2 H 2 0.372 0.048 033.20 001.83 . . . . . . . . . . . . . . . . . . . . . 15144 7 stop_ save_ save_S2_taue_glucose4 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_taue_glucose4 _Order_parameter_list.Entry_ID 15144 _Order_parameter_list.ID 8 _Order_parameter_list.Sample_condition_list_ID 4 _Order_parameter_list.Sample_condition_list_label $pyruvate_sample_condition_4 _Order_parameter_list.Tau_e_val_units ps _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 'temperatures 30C (in this particular order)' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 'methyl 2H R1' . . . 15144 8 2 'methyl 2H R2' . . . 15144 8 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 8 8 LEU HD1 H 2 0.575 0.016 021.70 001.05 . . . . . . . . . . . . . . . . . . . . . 15144 8 2 . 1 1 8 8 LEU HD2 H 2 0.675 0.035 039.80 002.17 . . . . . . . . . . . . . . . . . . . . . 15144 8 3 . 1 1 9 9 VAL HG1 H 2 0.733 0.017 061.90 001.22 . . . . . . . . . . . . . . . . . . . . . 15144 8 4 . 1 1 9 9 VAL HG2 H 2 0.727 0.008 026.10 000.37 . . . . . . . . . . . . . . . . . . . . . 15144 8 5 . 1 1 10 10 LEU HD1 H 2 0.679 0.054 040.70 004.92 . . . . . . . . . . . . . . . . . . . . . 15144 8 6 . 1 1 10 10 LEU HD2 H 2 0.538 0.024 035.00 001.19 . . . . . . . . . . . . . . . . . . . . . 15144 8 7 . 1 1 11 11 ALA HB H 2 0.909 0.034 089.50 001.28 . . . . . . . . . . . . . . . . . . . . . 15144 8 8 . 1 1 12 12 LEU HD1 H 2 0.643 0.006 019.90 000.72 . . . . . . . . . . . . . . . . . . . . . 15144 8 9 . 1 1 12 12 LEU HD2 H 2 0.503 0.084 040.50 003.22 . . . . . . . . . . . . . . . . . . . . . 15144 8 10 . 1 1 23 23 VAL HG1 H 2 0.264 0.013 077.80 001.23 . . . . . . . . . . . . . . . . . . . . . 15144 8 11 . 1 1 23 23 VAL HG2 H 2 0.271 0.007 072.70 000.68 . . . . . . . . . . . . . . . . . . . . . 15144 8 12 . 1 1 24 24 THR HG2 H 2 0.873 0.020 054.80 002.09 . . . . . . . . . . . . . . . . . . . . . 15144 8 13 . 1 1 25 25 MET HE H 2 0.776 0.023 009.20 000.81 . . . . . . . . . . . . . . . . . . . . . 15144 8 14 . 1 1 30 30 ILE HG2 H 2 0.743 0.020 026.40 000.74 . . . . . . . . . . . . . . . . . . . . . 15144 8 15 . 1 1 30 30 ILE HD1 H 2 0.258 0.006 027.20 000.34 . . . . . . . . . . . . . . . . . . . . . 15144 8 16 . 1 1 32 32 THR HG2 H 2 0.669 0.047 055.10 002.35 . . . . . . . . . . . . . . . . . . . . . 15144 8 17 . 1 1 33 33 LEU HD1 H 2 0.633 0.039 027.00 002.41 . . . . . . . . . . . . . . . . . . . . . 15144 8 18 . 1 1 33 33 LEU HD2 H 2 0.708 0.012 027.90 001.12 . . . . . . . . . . . . . . . . . . . . . 15144 8 19 . 1 1 34 34 LEU HD1 H 2 0.608 0.012 030.60 000.61 . . . . . . . . . . . . . . . . . . . . . 15144 8 20 . 1 1 34 34 LEU HD2 H 2 0.543 0.037 037.40 001.45 . . . . . . . . . . . . . . . . . . . . . 15144 8 21 . 1 1 37 37 THR HG2 H 2 0.560 0.027 045.10 001.05 . . . . . . . . . . . . . . . . . . . . . 15144 8 22 . 1 1 44 44 VAL HG1 H 2 0.829 0.021 058.00 001.57 . . . . . . . . . . . . . . . . . . . . . 15144 8 23 . 1 1 44 44 VAL HG2 H 2 0.775 0.018 053.80 000.98 . . . . . . . . . . . . . . . . . . . . . 15144 8 24 . 1 1 46 46 VAL HG1 H 2 0.548 0.011 051.30 000.90 . . . . . . . . . . . . . . . . . . . . . 15144 8 25 . 1 1 46 46 VAL HG2 H 2 0.596 0.011 044.60 000.53 . . . . . . . . . . . . . . . . . . . . . 15144 8 26 . 1 1 53 53 VAL HG1 H 2 0.803 0.020 084.20 000.83 . . . . . . . . . . . . . . . . . . . . . 15144 8 27 . 1 1 53 53 VAL HG2 H 2 0.801 0.021 087.20 001.79 . . . . . . . . . . . . . . . . . . . . . 15144 8 28 . 1 1 55 55 ALA HB H 2 0.850 0.014 103.00 001.76 . . . . . . . . . . . . . . . . . . . . . 15144 8 29 . 1 1 56 56 ALA HB H 2 0.852 0.021 046.10 000.88 . . . . . . . . . . . . . . . . . . . . . 15144 8 30 . 1 1 58 58 VAL HG1 H 2 0.686 0.009 041.70 000.81 . . . . . . . . . . . . . . . . . . . . . 15144 8 31 . 1 1 58 58 VAL HG2 H 2 0.768 0.022 043.10 001.15 . . . . . . . . . . . . . . . . . . . . . 15144 8 32 . 1 1 61 61 LEU HD1 H 2 0.436 0.012 023.50 000.59 . . . . . . . . . . . . . . . . . . . . . 15144 8 33 . 1 1 61 61 LEU HD2 H 2 0.427 0.026 024.70 002.86 . . . . . . . . . . . . . . . . . . . . . 15144 8 stop_ save_