data_5237 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5237 _Entry.Title ; Assignment of 1H, 13C, and 15N resonances of Type II R67 Dihydrofolate Reductase ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-12-18 _Entry.Accession_date 2001-12-18 _Entry.Last_release_date 2003-12-08 _Entry.Original_release_date 2003-12-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Wayne Pitcher . H. III 5237 2 Eugene DeRose . F. . 5237 3 Geoffrey Mueller . A. . 5237 4 Elizabeth Howell . E. . 5237 5 Robert London . E. . 5237 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5237 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 350 5237 '13C chemical shifts' 161 5237 '15N chemical shifts' 66 5237 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-12-08 2001-12-18 original author . 5237 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5237 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14503865 _Citation.Full_citation . _Citation.Title ; NMR studies of the interaction of a type II dihydrofolate reductase with pyridine nucleotides reveal unexpected phosphatase and reductase activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 38 _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 11150 _Citation.Page_last 11160 _Citation.Year 2003 _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 Wayne Pitcher . H. III 5237 1 2 Eugene DeRose . F. . 5237 1 3 Geoffrey Mueller . A. . 5237 1 4 Elizabeth Howell . E. . 5237 1 5 Robert London . E. . 5237 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 5237 1 'R67 dihydrofolate reductase' 5237 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 5237 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F. Delaglio F. . . 5237 2 2 S. Grzesiek S. . . 5237 2 3 'G. W.' Vuister G. W. . 5237 2 4 G. Zhu G. . . 5237 2 5 J. Pfeifer J. . . 5237 2 6 A. Bax A. . . 5237 2 stop_ save_ save_ref-2 _Citation.Sf_category citations _Citation.Sf_framecode ref-2 _Citation.Entry_ID 5237 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Johnson, B. A. and Blevins, R. A. (1994) J. Biomol. NMR, 4, 603-614. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_R67_DHFR _Assembly.Sf_category assembly _Assembly.Sf_framecode system_R67_DHFR _Assembly.Entry_ID 5237 _Assembly.ID 1 _Assembly.Name 'Type II R67 Dihydrofolate Reductase' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 1.5.1.3 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID tetramer 5237 1 stop_ 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 'R67 DHFR subunit A' 1 $R67 . . . native . . 1 . . 5237 1 2 'R67 DHFR subunit B' 1 $R67 . . . native . . 1 . . 5237 1 3 'R67 DHFR subunit C' 1 $R67 . . . native . . 1 . . 5237 1 4 'R67 DHFR subunit D' 1 $R67 . . . native . . 1 . . 5237 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Type II R67 Dihydrofolate Reductase' system 5237 1 'R67 DHFR' abbreviation 5237 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_R67 _Entity.Sf_category entity _Entity.Sf_framecode R67 _Entity.Entry_ID 5237 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Dihydrofolate reductase' _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 ; MERSSNEVSNPVAGNFVFPS NATFGMGDRVRKKSGAAWQG QIVGWYCTNLTPEGYAVESE AHPGSVQIYPVAALERIN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1VIE . "Structure Of Dihydrofolate Reductase" . . . . . 79.49 62 100.00 100.00 1.06e-37 . . . . 5237 1 2 no PDB 1VIF . "Structure Of Dihydrofolate Reductase" . . . . . 79.49 62 100.00 100.00 1.06e-37 . . . . 5237 1 3 no PDB 2GQV . "High-Resolution Structure Of A Plasmid-Encoded Dihydrofolate Reductase: Pentagonal Network Of Water Molecules In The D2-Symmetr" . . . . . 79.49 62 100.00 100.00 1.06e-37 . . . . 5237 1 4 no PDB 2P4T . "Structure Of The Q67h Mutant Of R67 Dihydrofolate Reductase- Nadp+ Complex Reveals A Novel Cofactor Binding Mode" . . . . . 79.49 62 98.39 98.39 5.43e-37 . . . . 5237 1 5 no PDB 2RH2 . "High Resolution Dhfr R-67" . . . . . 79.49 62 100.00 100.00 1.06e-37 . . . . 5237 1 6 no PDB 2RK1 . "Dhfr R67 Complexed With Nadp And Dihydrofolate" . . . . . 79.49 62 100.00 100.00 1.06e-37 . . . . 5237 1 7 no PDB 2RK2 . "Dhfr R-67 Complexed With Nadp" . . . . . 79.49 62 100.00 100.00 1.06e-37 . . . . 5237 1 8 no PDB 3SFM . "Novel Crystallization Conditions For Tandem Variant R67 Dhfr Yields Wild-Type Crystal Structure" . . . . . 79.49 62 98.39 100.00 3.15e-37 . . . . 5237 1 9 no EMBL CAI56200 . "dihydrofolate reductase [Bordetella bronchiseptica]" . . . . . 100.00 97 100.00 100.00 9.81e-50 . . . . 5237 1 10 no EMBL CAQ52800 . "DHFR2 protein [Pseudomonas aeruginosa]" . . . . . 100.00 97 98.72 100.00 4.41e-49 . . . . 5237 1 11 no EMBL CAT00055 . "dihydrofolate reductase [Aeromonas sobria]" . . . . . 100.00 78 100.00 100.00 9.80e-50 . . . . 5237 1 12 no GB AAA26083 . "dihydrofolate-reductase [Plasmid R67]" . . . . . 100.00 78 100.00 100.00 9.80e-50 . . . . 5237 1 13 no GB AAA72259 . "dihydrofolate reductase [synthetic construct]" . . . . . 97.44 98 100.00 100.00 6.82e-48 . . . . 5237 1 14 no GB AAA82255 . "dihydrofolate reductase [Escherichia coli]" . . . . . 100.00 78 100.00 100.00 9.80e-50 . . . . 5237 1 15 no GB AAN41433 . "dihydrofolate reductase [uncultured bacterium]" . . . . . 100.00 97 100.00 100.00 9.81e-50 . . . . 5237 1 16 no GB AAY33960 . "dihydrofolate reductase [Escherichia coli]" . . . . . 100.00 97 100.00 100.00 9.81e-50 . . . . 5237 1 17 no REF WP_000442373 . "MULTISPECIES: dihydrofolate reductase [Enterobacteriaceae]" . . . . . 100.00 78 100.00 100.00 9.80e-50 . . . . 5237 1 18 no REF WP_032490450 . "MULTISPECIES: dihydrofolate reductase [Proteobacteria]" . . . . . 100.00 97 100.00 100.00 9.81e-50 . . . . 5237 1 19 no REF YP_009077699 . "dihydrofolate reductase [uncultured bacterium]" . . . . . 100.00 97 100.00 100.00 9.81e-50 . . . . 5237 1 20 no REF YP_009080011 . "dihydrofolate reductase [Escherichia coli]" . . . . . 100.00 97 100.00 100.00 9.81e-50 . . . . 5237 1 21 no REF YP_009080016 . "dihydrofolate reductase [Klebsiella pneumoniae]" . . . . . 100.00 97 100.00 100.00 9.81e-50 . . . . 5237 1 22 no SP P00383 . "RecName: Full=Dihydrofolate reductase type 2; AltName: Full=Dihydrofolate reductase type II [Escherichia coli]" . . . . . 100.00 78 100.00 100.00 9.80e-50 . . . . 5237 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Dihydrofolate reductase' common 5237 1 DHFR abbreviation 5237 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 . 5237 1 2 . GLU . 5237 1 3 . ARG . 5237 1 4 . SER . 5237 1 5 . SER . 5237 1 6 . ASN . 5237 1 7 . GLU . 5237 1 8 . VAL . 5237 1 9 . SER . 5237 1 10 . ASN . 5237 1 11 . PRO . 5237 1 12 . VAL . 5237 1 13 . ALA . 5237 1 14 . GLY . 5237 1 15 . ASN . 5237 1 16 . PHE . 5237 1 17 . VAL . 5237 1 18 . PHE . 5237 1 19 . PRO . 5237 1 20 . SER . 5237 1 21 . ASN . 5237 1 22 . ALA . 5237 1 23 . THR . 5237 1 24 . PHE . 5237 1 25 . GLY . 5237 1 26 . MET . 5237 1 27 . GLY . 5237 1 28 . ASP . 5237 1 29 . ARG . 5237 1 30 . VAL . 5237 1 31 . ARG . 5237 1 32 . LYS . 5237 1 33 . LYS . 5237 1 34 . SER . 5237 1 35 . GLY . 5237 1 36 . ALA . 5237 1 37 . ALA . 5237 1 38 . TRP . 5237 1 39 . GLN . 5237 1 40 . GLY . 5237 1 41 . GLN . 5237 1 42 . ILE . 5237 1 43 . VAL . 5237 1 44 . GLY . 5237 1 45 . TRP . 5237 1 46 . TYR . 5237 1 47 . CYS . 5237 1 48 . THR . 5237 1 49 . ASN . 5237 1 50 . LEU . 5237 1 51 . THR . 5237 1 52 . PRO . 5237 1 53 . GLU . 5237 1 54 . GLY . 5237 1 55 . TYR . 5237 1 56 . ALA . 5237 1 57 . VAL . 5237 1 58 . GLU . 5237 1 59 . SER . 5237 1 60 . GLU . 5237 1 61 . ALA . 5237 1 62 . HIS . 5237 1 63 . PRO . 5237 1 64 . GLY . 5237 1 65 . SER . 5237 1 66 . VAL . 5237 1 67 . GLN . 5237 1 68 . ILE . 5237 1 69 . TYR . 5237 1 70 . PRO . 5237 1 71 . VAL . 5237 1 72 . ALA . 5237 1 73 . ALA . 5237 1 74 . LEU . 5237 1 75 . GLU . 5237 1 76 . ARG . 5237 1 77 . ILE . 5237 1 78 . ASN . 5237 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 5237 1 . GLU 2 2 5237 1 . ARG 3 3 5237 1 . SER 4 4 5237 1 . SER 5 5 5237 1 . ASN 6 6 5237 1 . GLU 7 7 5237 1 . VAL 8 8 5237 1 . SER 9 9 5237 1 . ASN 10 10 5237 1 . PRO 11 11 5237 1 . VAL 12 12 5237 1 . ALA 13 13 5237 1 . GLY 14 14 5237 1 . ASN 15 15 5237 1 . PHE 16 16 5237 1 . VAL 17 17 5237 1 . PHE 18 18 5237 1 . PRO 19 19 5237 1 . SER 20 20 5237 1 . ASN 21 21 5237 1 . ALA 22 22 5237 1 . THR 23 23 5237 1 . PHE 24 24 5237 1 . GLY 25 25 5237 1 . MET 26 26 5237 1 . GLY 27 27 5237 1 . ASP 28 28 5237 1 . ARG 29 29 5237 1 . VAL 30 30 5237 1 . ARG 31 31 5237 1 . LYS 32 32 5237 1 . LYS 33 33 5237 1 . SER 34 34 5237 1 . GLY 35 35 5237 1 . ALA 36 36 5237 1 . ALA 37 37 5237 1 . TRP 38 38 5237 1 . GLN 39 39 5237 1 . GLY 40 40 5237 1 . GLN 41 41 5237 1 . ILE 42 42 5237 1 . VAL 43 43 5237 1 . GLY 44 44 5237 1 . TRP 45 45 5237 1 . TYR 46 46 5237 1 . CYS 47 47 5237 1 . THR 48 48 5237 1 . ASN 49 49 5237 1 . LEU 50 50 5237 1 . THR 51 51 5237 1 . PRO 52 52 5237 1 . GLU 53 53 5237 1 . GLY 54 54 5237 1 . TYR 55 55 5237 1 . ALA 56 56 5237 1 . VAL 57 57 5237 1 . GLU 58 58 5237 1 . SER 59 59 5237 1 . GLU 60 60 5237 1 . ALA 61 61 5237 1 . HIS 62 62 5237 1 . PRO 63 63 5237 1 . GLY 64 64 5237 1 . SER 65 65 5237 1 . VAL 66 66 5237 1 . GLN 67 67 5237 1 . ILE 68 68 5237 1 . TYR 69 69 5237 1 . PRO 70 70 5237 1 . VAL 71 71 5237 1 . ALA 72 72 5237 1 . ALA 73 73 5237 1 . LEU 74 74 5237 1 . GLU 75 75 5237 1 . ARG 76 76 5237 1 . ILE 77 77 5237 1 . ASN 78 78 5237 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 5237 _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 $R67 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5237 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 5237 _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 $R67 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5237 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5237 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dihydrofolate reductase' '[U-13C; U-15N]' . . 1 $R67 . . 0.7 . . mM . . . . 5237 1 2 'sodium azide' . . . . . . . 6.0 . . mM . . . . 5237 1 3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5237 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 5237 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 na 5237 1 temperature 298 0.1 K 5237 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5237 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5237 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 5237 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5237 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5237 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref-2 5237 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5237 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5237 _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 NMR_spectrometer Varian UnityPlus . 500 . . . 5237 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 5237 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5237 1 2 '1H-13C CT-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5237 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5237 1 4 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5237 1 5 '15N-edited TOCSY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5237 1 6 C(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5237 1 7 H(CCO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5237 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5237 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5237 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5237 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5237 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5237 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N-edited TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5237 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5237 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5237 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.00000000 external cylindrical parallel . . . . . . 5237 1 C 13 water protons . . . . ppm 34.996 external indirect 0.25150000 external cylindrical parallel . . . . . . 5237 1 N 15 water protons . . . . ppm 120.002 external indirect 0.10140000 external cylindrical parallel . . . . . . 5237 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5237 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' 1 $sample_1 . 5237 1 2 '1H-13C CT-HSQC' 1 $sample_1 . 5237 1 3 HNCACB 1 $sample_1 . 5237 1 4 CBCA(CO)NH 1 $sample_1 . 5237 1 5 '15N-edited TOCSY-HSQC' 1 $sample_1 . 5237 1 6 C(CO)NH 1 $sample_1 . 5237 1 7 H(CCO)NH 1 $sample_1 . 5237 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 19 19 PRO CA C 13 63.062 0.06 . 1 . . . . . . . . 5237 1 2 . 1 1 19 19 PRO HA H 1 4.222 0.02 . 1 . . . . . . . . 5237 1 3 . 1 1 19 19 PRO CB C 13 32.730 0.06 . 1 . . . . . . . . 5237 1 4 . 1 1 19 19 PRO HB3 H 1 2.035 0.02 . 1 . . . . . . . . 5237 1 5 . 1 1 19 19 PRO HB2 H 1 2.035 0.02 . 1 . . . . . . . . 5237 1 6 . 1 1 19 19 PRO CG C 13 26.910 0.06 . 1 . . . . . . . . 5237 1 7 . 1 1 19 19 PRO HG3 H 1 1.463 0.02 . 1 . . . . . . . . 5237 1 8 . 1 1 19 19 PRO HG2 H 1 1.463 0.02 . 1 . . . . . . . . 5237 1 9 . 1 1 19 19 PRO CD C 13 49.703 0.06 . 1 . . . . . . . . 5237 1 10 . 1 1 19 19 PRO HD3 H 1 2.647 0.02 . 1 . . . . . . . . 5237 1 11 . 1 1 19 19 PRO HD2 H 1 2.647 0.02 . 1 . . . . . . . . 5237 1 12 . 1 1 20 20 SER N N 15 116.980 0.04 . 1 . . . . . . . . 5237 1 13 . 1 1 20 20 SER H H 1 8.431 0.02 . 1 . . . . . . . . 5237 1 14 . 1 1 20 20 SER CA C 13 60.107 0.06 . 1 . . . . . . . . 5237 1 15 . 1 1 20 20 SER HA H 1 4.202 0.02 . 1 . . . . . . . . 5237 1 16 . 1 1 20 20 SER CB C 13 63.052 0.06 . 1 . . . . . . . . 5237 1 17 . 1 1 20 20 SER HB3 H 1 4.145 0.02 . 1 . . . . . . . . 5237 1 18 . 1 1 20 20 SER HB2 H 1 4.145 0.02 . 1 . . . . . . . . 5237 1 19 . 1 1 21 21 ASN N N 15 118.530 0.04 . 1 . . . . . . . . 5237 1 20 . 1 1 21 21 ASN H H 1 8.211 0.02 . 1 . . . . . . . . 5237 1 21 . 1 1 21 21 ASN CA C 13 52.446 0.06 . 1 . . . . . . . . 5237 1 22 . 1 1 21 21 ASN HA H 1 4.679 0.02 . 1 . . . . . . . . 5237 1 23 . 1 1 21 21 ASN CB C 13 37.377 0.06 . 1 . . . . . . . . 5237 1 24 . 1 1 21 21 ASN HB3 H 1 2.732 0.02 . 1 . . . . . . . . 5237 1 25 . 1 1 21 21 ASN HB2 H 1 2.732 0.02 . 1 . . . . . . . . 5237 1 26 . 1 1 22 22 ALA N N 15 123.895 0.04 . 1 . . . . . . . . 5237 1 27 . 1 1 22 22 ALA H H 1 7.620 0.02 . 1 . . . . . . . . 5237 1 28 . 1 1 22 22 ALA CA C 13 52.966 0.06 . 1 . . . . . . . . 5237 1 29 . 1 1 22 22 ALA HA H 1 4.026 0.02 . 1 . . . . . . . . 5237 1 30 . 1 1 22 22 ALA CB C 13 19.676 0.06 . 1 . . . . . . . . 5237 1 31 . 1 1 22 22 ALA HB1 H 1 1.725 0.02 . 1 . . . . . . . . 5237 1 32 . 1 1 22 22 ALA HB2 H 1 1.725 0.02 . 1 . . . . . . . . 5237 1 33 . 1 1 22 22 ALA HB3 H 1 1.725 0.02 . 1 . . . . . . . . 5237 1 34 . 1 1 23 23 THR N N 15 118.972 0.04 . 1 . . . . . . . . 5237 1 35 . 1 1 23 23 THR H H 1 8.354 0.02 . 1 . . . . . . . . 5237 1 36 . 1 1 23 23 THR CA C 13 66.366 0.06 . 1 . . . . . . . . 5237 1 37 . 1 1 23 23 THR HA H 1 3.632 0.02 . 1 . . . . . . . . 5237 1 38 . 1 1 23 23 THR CB C 13 69.297 0.06 . 1 . . . . . . . . 5237 1 39 . 1 1 23 23 THR HB H 1 4.182 0.02 . 1 . . . . . . . . 5237 1 40 . 1 1 23 23 THR CG2 C 13 20.094 0.06 . 1 . . . . . . . . 5237 1 41 . 1 1 23 23 THR HG21 H 1 0.283 0.02 . 1 . . . . . . . . 5237 1 42 . 1 1 23 23 THR HG22 H 1 0.283 0.02 . 1 . . . . . . . . 5237 1 43 . 1 1 23 23 THR HG23 H 1 0.283 0.02 . 1 . . . . . . . . 5237 1 44 . 1 1 24 24 PHE N N 15 116.056 0.04 . 1 . . . . . . . . 5237 1 45 . 1 1 24 24 PHE H H 1 7.525 0.02 . 1 . . . . . . . . 5237 1 46 . 1 1 24 24 PHE CA C 13 54.475 0.06 . 1 . . . . . . . . 5237 1 47 . 1 1 24 24 PHE HA H 1 5.072 0.02 . 1 . . . . . . . . 5237 1 48 . 1 1 24 24 PHE CB C 13 42.669 0.06 . 1 . . . . . . . . 5237 1 49 . 1 1 24 24 PHE HB3 H 1 3.162 0.02 . 2 . . . . . . . . 5237 1 50 . 1 1 24 24 PHE HB2 H 1 1.844 0.02 . 2 . . . . . . . . 5237 1 51 . 1 1 24 24 PHE HD1 H 1 6.547 0.02 . 1 . . . . . . . . 5237 1 52 . 1 1 24 24 PHE HE1 H 1 6.998 0.02 . 1 . . . . . . . . 5237 1 53 . 1 1 24 24 PHE HE2 H 1 6.998 0.02 . 1 . . . . . . . . 5237 1 54 . 1 1 24 24 PHE HD2 H 1 6.547 0.02 . 1 . . . . . . . . 5237 1 55 . 1 1 25 25 GLY N N 15 106.523 0.04 . 1 . . . . . . . . 5237 1 56 . 1 1 25 25 GLY H H 1 8.767 0.02 . 1 . . . . . . . . 5237 1 57 . 1 1 25 25 GLY CA C 13 43.193 0.06 . 1 . . . . . . . . 5237 1 58 . 1 1 25 25 GLY HA3 H 1 4.470 0.02 . 2 . . . . . . . . 5237 1 59 . 1 1 25 25 GLY HA2 H 1 3.575 0.02 . 2 . . . . . . . . 5237 1 60 . 1 1 26 26 MET N N 15 117.697 0.04 . 1 . . . . . . . . 5237 1 61 . 1 1 26 26 MET H H 1 8.097 0.02 . 1 . . . . . . . . 5237 1 62 . 1 1 26 26 MET CA C 13 56.091 0.06 . 1 . . . . . . . . 5237 1 63 . 1 1 26 26 MET HA H 1 4.178 0.02 . 1 . . . . . . . . 5237 1 64 . 1 1 26 26 MET CB C 13 32.115 0.06 . 1 . . . . . . . . 5237 1 65 . 1 1 26 26 MET HB3 H 1 2.019 0.02 . 1 . . . . . . . . 5237 1 66 . 1 1 26 26 MET HB2 H 1 2.019 0.02 . 1 . . . . . . . . 5237 1 67 . 1 1 26 26 MET CG C 13 32.042 0.06 . 1 . . . . . . . . 5237 1 68 . 1 1 26 26 MET HG3 H 1 2.527 0.02 . 2 . . . . . . . . 5237 1 69 . 1 1 26 26 MET HG2 H 1 2.551 0.02 . 2 . . . . . . . . 5237 1 70 . 1 1 27 27 GLY N N 15 113.634 0.04 . 1 . . . . . . . . 5237 1 71 . 1 1 27 27 GLY H H 1 9.130 0.02 . 1 . . . . . . . . 5237 1 72 . 1 1 27 27 GLY CA C 13 44.861 0.06 . 1 . . . . . . . . 5237 1 73 . 1 1 27 27 GLY HA3 H 1 4.506 0.02 . 2 . . . . . . . . 5237 1 74 . 1 1 27 27 GLY HA2 H 1 3.731 0.02 . 2 . . . . . . . . 5237 1 75 . 1 1 28 28 ASP N N 15 121.954 0.04 . 1 . . . . . . . . 5237 1 76 . 1 1 28 28 ASP H H 1 7.917 0.02 . 1 . . . . . . . . 5237 1 77 . 1 1 28 28 ASP CA C 13 55.524 0.06 . 1 . . . . . . . . 5237 1 78 . 1 1 28 28 ASP HA H 1 4.499 0.02 . 1 . . . . . . . . 5237 1 79 . 1 1 28 28 ASP CB C 13 40.771 0.06 . 1 . . . . . . . . 5237 1 80 . 1 1 28 28 ASP HB3 H 1 2.361 0.02 . 2 . . . . . . . . 5237 1 81 . 1 1 28 28 ASP HB2 H 1 2.869 0.02 . 2 . . . . . . . . 5237 1 82 . 1 1 29 29 ARG N N 15 122.573 0.04 . 1 . . . . . . . . 5237 1 83 . 1 1 29 29 ARG H H 1 8.525 0.02 . 1 . . . . . . . . 5237 1 84 . 1 1 29 29 ARG CA C 13 55.687 0.06 . 1 . . . . . . . . 5237 1 85 . 1 1 29 29 ARG HA H 1 4.883 0.02 . 1 . . . . . . . . 5237 1 86 . 1 1 29 29 ARG CB C 13 31.070 0.06 . 1 . . . . . . . . 5237 1 87 . 1 1 29 29 ARG HB3 H 1 1.743 0.02 . 1 . . . . . . . . 5237 1 88 . 1 1 29 29 ARG HB2 H 1 1.743 0.02 . 1 . . . . . . . . 5237 1 89 . 1 1 29 29 ARG CG C 13 27.766 0.06 . 1 . . . . . . . . 5237 1 90 . 1 1 29 29 ARG HG3 H 1 1.442 0.02 . 1 . . . . . . . . 5237 1 91 . 1 1 29 29 ARG HG2 H 1 1.442 0.02 . 1 . . . . . . . . 5237 1 92 . 1 1 29 29 ARG CD C 13 43.240 0.06 . 1 . . . . . . . . 5237 1 93 . 1 1 29 29 ARG HD3 H 1 3.180 0.02 . 1 . . . . . . . . 5237 1 94 . 1 1 29 29 ARG HD2 H 1 3.180 0.02 . 1 . . . . . . . . 5237 1 95 . 1 1 29 29 ARG NE N 15 84.754 0.04 . 1 . . . . . . . . 5237 1 96 . 1 1 29 29 ARG HE H 1 7.947 0.02 . 1 . . . . . . . . 5237 1 97 . 1 1 30 30 VAL N N 15 116.418 0.04 . 1 . . . . . . . . 5237 1 98 . 1 1 30 30 VAL H H 1 8.870 0.02 . 1 . . . . . . . . 5237 1 99 . 1 1 30 30 VAL CA C 13 58.430 0.06 . 1 . . . . . . . . 5237 1 100 . 1 1 30 30 VAL HA H 1 5.231 0.02 . 1 . . . . . . . . 5237 1 101 . 1 1 30 30 VAL CB C 13 37.397 0.06 . 1 . . . . . . . . 5237 1 102 . 1 1 30 30 VAL HB H 1 1.635 0.02 . 1 . . . . . . . . 5237 1 103 . 1 1 30 30 VAL CG2 C 13 20.398 0.06 . 2 . . . . . . . . 5237 1 104 . 1 1 30 30 VAL HG21 H 1 -0.139 0.02 . 4 . . . . . . . . 5237 1 105 . 1 1 30 30 VAL HG22 H 1 -0.139 0.02 . 4 . . . . . . . . 5237 1 106 . 1 1 30 30 VAL HG23 H 1 -0.139 0.02 . 4 . . . . . . . . 5237 1 107 . 1 1 30 30 VAL CG1 C 13 19.434 0.06 . 2 . . . . . . . . 5237 1 108 . 1 1 30 30 VAL HG11 H 1 0.479 0.02 . 4 . . . . . . . . 5237 1 109 . 1 1 30 30 VAL HG12 H 1 0.479 0.02 . 4 . . . . . . . . 5237 1 110 . 1 1 30 30 VAL HG13 H 1 0.479 0.02 . 4 . . . . . . . . 5237 1 111 . 1 1 31 31 ARG N N 15 114.055 0.04 . 1 . . . . . . . . 5237 1 112 . 1 1 31 31 ARG H H 1 8.906 0.02 . 1 . . . . . . . . 5237 1 113 . 1 1 31 31 ARG CA C 13 53.035 0.06 . 1 . . . . . . . . 5237 1 114 . 1 1 31 31 ARG HA H 1 5.420 0.02 . 1 . . . . . . . . 5237 1 115 . 1 1 31 31 ARG CB C 13 34.972 0.06 . 1 . . . . . . . . 5237 1 116 . 1 1 31 31 ARG CG C 13 26.059 0.06 . 1 . . . . . . . . 5237 1 117 . 1 1 31 31 ARG CD C 13 43.824 0.06 . 1 . . . . . . . . 5237 1 118 . 1 1 31 31 ARG HD3 H 1 3.078 0.02 . 1 . . . . . . . . 5237 1 119 . 1 1 31 31 ARG HD2 H 1 3.078 0.02 . 1 . . . . . . . . 5237 1 120 . 1 1 31 31 ARG NE N 15 85.797 0.04 . 1 . . . . . . . . 5237 1 121 . 1 1 31 31 ARG HE H 1 7.768 0.02 . 1 . . . . . . . . 5237 1 122 . 1 1 32 32 LYS N N 15 120.467 0.04 . 1 . . . . . . . . 5237 1 123 . 1 1 32 32 LYS H H 1 8.158 0.02 . 1 . . . . . . . . 5237 1 124 . 1 1 32 32 LYS CA C 13 56.076 0.06 . 1 . . . . . . . . 5237 1 125 . 1 1 32 32 LYS HA H 1 4.608 0.02 . 1 . . . . . . . . 5237 1 126 . 1 1 32 32 LYS CB C 13 34.139 0.06 . 1 . . . . . . . . 5237 1 127 . 1 1 32 32 LYS HB3 H 1 1.584 0.02 . 1 . . . . . . . . 5237 1 128 . 1 1 32 32 LYS HB2 H 1 1.584 0.02 . 1 . . . . . . . . 5237 1 129 . 1 1 32 32 LYS CG C 13 26.601 0.06 . 1 . . . . . . . . 5237 1 130 . 1 1 32 32 LYS HG3 H 1 0.982 0.02 . 1 . . . . . . . . 5237 1 131 . 1 1 32 32 LYS HG2 H 1 0.982 0.02 . 1 . . . . . . . . 5237 1 132 . 1 1 32 32 LYS HD3 H 1 1.638 0.02 . 1 . . . . . . . . 5237 1 133 . 1 1 32 32 LYS HD2 H 1 1.638 0.02 . 1 . . . . . . . . 5237 1 134 . 1 1 32 32 LYS CE C 13 43.599 0.06 . 1 . . . . . . . . 5237 1 135 . 1 1 32 32 LYS HE3 H 1 2.876 0.02 . 1 . . . . . . . . 5237 1 136 . 1 1 32 32 LYS HE2 H 1 2.876 0.02 . 1 . . . . . . . . 5237 1 137 . 1 1 33 33 LYS N N 15 122.939 0.04 . 1 . . . . . . . . 5237 1 138 . 1 1 33 33 LYS H H 1 8.155 0.02 . 1 . . . . . . . . 5237 1 139 . 1 1 33 33 LYS CA C 13 58.882 0.06 . 1 . . . . . . . . 5237 1 140 . 1 1 33 33 LYS HA H 1 3.932 0.02 . 1 . . . . . . . . 5237 1 141 . 1 1 33 33 LYS CB C 13 34.564 0.06 . 1 . . . . . . . . 5237 1 142 . 1 1 33 33 LYS HB3 H 1 1.714 0.02 . 1 . . . . . . . . 5237 1 143 . 1 1 33 33 LYS HB2 H 1 1.714 0.02 . 1 . . . . . . . . 5237 1 144 . 1 1 33 33 LYS CG C 13 25.603 0.06 . 1 . . . . . . . . 5237 1 145 . 1 1 33 33 LYS HG3 H 1 1.230 0.02 . 1 . . . . . . . . 5237 1 146 . 1 1 33 33 LYS HG2 H 1 1.230 0.02 . 1 . . . . . . . . 5237 1 147 . 1 1 33 33 LYS CD C 13 29.597 0.06 . 1 . . . . . . . . 5237 1 148 . 1 1 33 33 LYS HD3 H 1 1.706 0.02 . 1 . . . . . . . . 5237 1 149 . 1 1 33 33 LYS HD2 H 1 1.706 0.02 . 1 . . . . . . . . 5237 1 150 . 1 1 33 33 LYS CE C 13 41.935 0.06 . 1 . . . . . . . . 5237 1 151 . 1 1 33 33 LYS HE3 H 1 3.001 0.02 . 1 . . . . . . . . 5237 1 152 . 1 1 33 33 LYS HE2 H 1 3.001 0.02 . 1 . . . . . . . . 5237 1 153 . 1 1 34 34 SER N N 15 111.126 0.04 . 1 . . . . . . . . 5237 1 154 . 1 1 34 34 SER H H 1 8.060 0.02 . 1 . . . . . . . . 5237 1 155 . 1 1 34 34 SER CA C 13 57.470 0.06 . 1 . . . . . . . . 5237 1 156 . 1 1 34 34 SER HA H 1 4.602 0.02 . 1 . . . . . . . . 5237 1 157 . 1 1 34 34 SER CB C 13 65.214 0.06 . 1 . . . . . . . . 5237 1 158 . 1 1 34 34 SER HB3 H 1 3.777 0.02 . 1 . . . . . . . . 5237 1 159 . 1 1 34 34 SER HB2 H 1 3.777 0.02 . 1 . . . . . . . . 5237 1 160 . 1 1 35 35 GLY N N 15 106.247 0.04 . 1 . . . . . . . . 5237 1 161 . 1 1 35 35 GLY H H 1 8.401 0.02 . 1 . . . . . . . . 5237 1 162 . 1 1 35 35 GLY CA C 13 44.712 0.06 . 1 . . . . . . . . 5237 1 163 . 1 1 35 35 GLY HA3 H 1 3.766 0.02 . 2 . . . . . . . . 5237 1 164 . 1 1 35 35 GLY HA2 H 1 3.584 0.02 . 2 . . . . . . . . 5237 1 165 . 1 1 36 36 ALA N N 15 128.729 0.04 . 1 . . . . . . . . 5237 1 166 . 1 1 36 36 ALA H H 1 8.815 0.02 . 1 . . . . . . . . 5237 1 167 . 1 1 36 36 ALA CA C 13 53.892 0.06 . 1 . . . . . . . . 5237 1 168 . 1 1 36 36 ALA HA H 1 4.307 0.02 . 1 . . . . . . . . 5237 1 169 . 1 1 36 36 ALA CB C 13 18.993 0.06 . 1 . . . . . . . . 5237 1 170 . 1 1 36 36 ALA HB1 H 1 1.502 0.02 . 1 . . . . . . . . 5237 1 171 . 1 1 36 36 ALA HB2 H 1 1.502 0.02 . 1 . . . . . . . . 5237 1 172 . 1 1 36 36 ALA HB3 H 1 1.502 0.02 . 1 . . . . . . . . 5237 1 173 . 1 1 37 37 ALA N N 15 116.681 0.04 . 1 . . . . . . . . 5237 1 174 . 1 1 37 37 ALA H H 1 7.882 0.02 . 1 . . . . . . . . 5237 1 175 . 1 1 37 37 ALA CA C 13 52.203 0.06 . 1 . . . . . . . . 5237 1 176 . 1 1 37 37 ALA HA H 1 4.128 0.02 . 1 . . . . . . . . 5237 1 177 . 1 1 37 37 ALA CB C 13 20.905 0.06 . 1 . . . . . . . . 5237 1 178 . 1 1 37 37 ALA HB1 H 1 0.359 0.02 . 1 . . . . . . . . 5237 1 179 . 1 1 37 37 ALA HB2 H 1 0.359 0.02 . 1 . . . . . . . . 5237 1 180 . 1 1 37 37 ALA HB3 H 1 0.359 0.02 . 1 . . . . . . . . 5237 1 181 . 1 1 38 38 TRP N N 15 117.543 0.04 . 1 . . . . . . . . 5237 1 182 . 1 1 38 38 TRP H H 1 8.171 0.02 . 1 . . . . . . . . 5237 1 183 . 1 1 38 38 TRP CA C 13 59.474 0.06 . 1 . . . . . . . . 5237 1 184 . 1 1 38 38 TRP HA H 1 3.220 0.02 . 1 . . . . . . . . 5237 1 185 . 1 1 38 38 TRP CB C 13 32.468 0.06 . 1 . . . . . . . . 5237 1 186 . 1 1 38 38 TRP HB3 H 1 2.096 0.02 . 1 . . . . . . . . 5237 1 187 . 1 1 38 38 TRP HB2 H 1 2.096 0.02 . 1 . . . . . . . . 5237 1 188 . 1 1 38 38 TRP HD1 H 1 7.865 0.02 . 1 . . . . . . . . 5237 1 189 . 1 1 38 38 TRP NE1 N 15 123.818 0.04 . 1 . . . . . . . . 5237 1 190 . 1 1 38 38 TRP HE1 H 1 8.973 0.02 . 2 . . . . . . . . 5237 1 191 . 1 1 38 38 TRP HZ2 H 1 7.521 0.02 . 4 . . . . . . . . 5237 1 192 . 1 1 38 38 TRP HH2 H 1 6.281 0.02 . 1 . . . . . . . . 5237 1 193 . 1 1 38 38 TRP HZ3 H 1 6.086 0.02 . 4 . . . . . . . . 5237 1 194 . 1 1 39 39 GLN N N 15 122.339 0.04 . 1 . . . . . . . . 5237 1 195 . 1 1 39 39 GLN H H 1 5.407 0.02 . 1 . . . . . . . . 5237 1 196 . 1 1 39 39 GLN CA C 13 54.983 0.06 . 1 . . . . . . . . 5237 1 197 . 1 1 39 39 GLN HA H 1 5.081 0.02 . 1 . . . . . . . . 5237 1 198 . 1 1 39 39 GLN CB C 13 33.183 0.06 . 1 . . . . . . . . 5237 1 199 . 1 1 39 39 GLN HB2 H 1 1.864 0.02 . 2 . . . . . . . . 5237 1 200 . 1 1 39 39 GLN HG2 H 1 2.126 0.02 . 2 . . . . . . . . 5237 1 201 . 1 1 40 40 GLY N N 15 111.318 0.04 . 1 . . . . . . . . 5237 1 202 . 1 1 40 40 GLY H H 1 8.556 0.02 . 1 . . . . . . . . 5237 1 203 . 1 1 40 40 GLY CA C 13 45.868 0.06 . 1 . . . . . . . . 5237 1 204 . 1 1 40 40 GLY HA3 H 1 5.177 0.02 . 2 . . . . . . . . 5237 1 205 . 1 1 40 40 GLY HA2 H 1 3.765 0.02 . 2 . . . . . . . . 5237 1 206 . 1 1 41 41 GLN N N 15 118.635 0.04 . 1 . . . . . . . . 5237 1 207 . 1 1 41 41 GLN H H 1 8.108 0.02 . 1 . . . . . . . . 5237 1 208 . 1 1 41 41 GLN CA C 13 53.930 0.06 . 1 . . . . . . . . 5237 1 209 . 1 1 41 41 GLN HA H 1 5.414 0.02 . 1 . . . . . . . . 5237 1 210 . 1 1 41 41 GLN CB C 13 32.647 0.06 . 1 . . . . . . . . 5237 1 211 . 1 1 41 41 GLN HB3 H 1 2.024 0.02 . 2 . . . . . . . . 5237 1 212 . 1 1 41 41 GLN HB2 H 1 1.820 0.02 . 2 . . . . . . . . 5237 1 213 . 1 1 41 41 GLN CG C 13 34.782 0.06 . 1 . . . . . . . . 5237 1 214 . 1 1 41 41 GLN HG2 H 1 2.282 0.02 . 2 . . . . . . . . 5237 1 215 . 1 1 41 41 GLN NE2 N 15 110.618 0.04 . 1 . . . . . . . . 5237 1 216 . 1 1 41 41 GLN HE21 H 1 6.705 0.02 . 2 . . . . . . . . 5237 1 217 . 1 1 41 41 GLN HE22 H 1 7.634 0.02 . 2 . . . . . . . . 5237 1 218 . 1 1 42 42 ILE N N 15 123.019 0.04 . 1 . . . . . . . . 5237 1 219 . 1 1 42 42 ILE H H 1 8.946 0.02 . 1 . . . . . . . . 5237 1 220 . 1 1 42 42 ILE CA C 13 60.369 0.06 . 1 . . . . . . . . 5237 1 221 . 1 1 42 42 ILE CB C 13 36.082 0.06 . 1 . . . . . . . . 5237 1 222 . 1 1 42 42 ILE HB H 1 1.409 0.02 . 1 . . . . . . . . 5237 1 223 . 1 1 42 42 ILE CG1 C 13 18.357 0.06 . 2 . . . . . . . . 5237 1 224 . 1 1 42 42 ILE HG13 H 1 2.462 0.02 . 1 . . . . . . . . 5237 1 225 . 1 1 42 42 ILE HG12 H 1 2.462 0.02 . 9 . . . . . . . . 5237 1 226 . 1 1 42 42 ILE CD1 C 13 11.654 0.06 . 1 . . . . . . . . 5237 1 227 . 1 1 42 42 ILE HD11 H 1 0.479 0.02 . 1 . . . . . . . . 5237 1 228 . 1 1 42 42 ILE HD12 H 1 0.479 0.02 . 1 . . . . . . . . 5237 1 229 . 1 1 42 42 ILE HD13 H 1 0.479 0.02 . 1 . . . . . . . . 5237 1 230 . 1 1 42 42 ILE CG2 C 13 18.612 0.06 . 2 . . . . . . . . 5237 1 231 . 1 1 43 43 VAL N N 15 121.107 0.04 . 1 . . . . . . . . 5237 1 232 . 1 1 43 43 VAL H H 1 9.135 0.02 . 1 . . . . . . . . 5237 1 233 . 1 1 43 43 VAL CA C 13 61.316 0.06 . 1 . . . . . . . . 5237 1 234 . 1 1 43 43 VAL HA H 1 4.951 0.02 . 1 . . . . . . . . 5237 1 235 . 1 1 43 43 VAL CB C 13 32.423 0.06 . 1 . . . . . . . . 5237 1 236 . 1 1 43 43 VAL HB H 1 3.319 0.02 . 1 . . . . . . . . 5237 1 237 . 1 1 43 43 VAL CG2 C 13 21.351 0.06 . 2 . . . . . . . . 5237 1 238 . 1 1 43 43 VAL HG21 H 1 1.222 0.02 . 1 . . . . . . . . 5237 1 239 . 1 1 43 43 VAL HG22 H 1 1.222 0.02 . 1 . . . . . . . . 5237 1 240 . 1 1 43 43 VAL HG23 H 1 1.222 0.02 . 1 . . . . . . . . 5237 1 241 . 1 1 43 43 VAL CG1 C 13 21.636 0.06 . 2 . . . . . . . . 5237 1 242 . 1 1 43 43 VAL HG11 H 1 1.222 0.02 . 4 . . . . . . . . 5237 1 243 . 1 1 43 43 VAL HG12 H 1 1.222 0.02 . 4 . . . . . . . . 5237 1 244 . 1 1 43 43 VAL HG13 H 1 1.222 0.02 . 4 . . . . . . . . 5237 1 245 . 1 1 44 44 GLY N N 15 107.738 0.04 . 1 . . . . . . . . 5237 1 246 . 1 1 44 44 GLY H H 1 7.793 0.02 . 1 . . . . . . . . 5237 1 247 . 1 1 44 44 GLY CA C 13 46.075 0.06 . 1 . . . . . . . . 5237 1 248 . 1 1 44 44 GLY HA2 H 1 3.654 0.02 . 2 . . . . . . . . 5237 1 249 . 1 1 45 45 TRP N N 15 119.497 0.04 . 1 . . . . . . . . 5237 1 250 . 1 1 45 45 TRP H H 1 7.970 0.02 . 1 . . . . . . . . 5237 1 251 . 1 1 45 45 TRP CA C 13 55.200 0.06 . 1 . . . . . . . . 5237 1 252 . 1 1 45 45 TRP HA H 1 5.279 0.02 . 1 . . . . . . . . 5237 1 253 . 1 1 45 45 TRP CB C 13 32.706 0.06 . 1 . . . . . . . . 5237 1 254 . 1 1 45 45 TRP HB3 H 1 2.852 0.02 . 2 . . . . . . . . 5237 1 255 . 1 1 45 45 TRP HB2 H 1 2.538 0.02 . 2 . . . . . . . . 5237 1 256 . 1 1 45 45 TRP NE1 N 15 127.653 0.04 . 1 . . . . . . . . 5237 1 257 . 1 1 45 45 TRP HE1 H 1 9.696 0.02 . 2 . . . . . . . . 5237 1 258 . 1 1 45 45 TRP HZ2 H 1 6.573 0.02 . 4 . . . . . . . . 5237 1 259 . 1 1 45 45 TRP HH2 H 1 6.745 0.02 . 1 . . . . . . . . 5237 1 260 . 1 1 46 46 TYR N N 15 117.034 0.04 . 1 . . . . . . . . 5237 1 261 . 1 1 46 46 TYR H H 1 7.719 0.02 . 1 . . . . . . . . 5237 1 262 . 1 1 46 46 TYR CA C 13 56.879 0.06 . 1 . . . . . . . . 5237 1 263 . 1 1 46 46 TYR HA H 1 4.836 0.02 . 1 . . . . . . . . 5237 1 264 . 1 1 46 46 TYR CB C 13 40.337 0.06 . 1 . . . . . . . . 5237 1 265 . 1 1 46 46 TYR HD1 H 1 7.274 0.02 . 1 . . . . . . . . 5237 1 266 . 1 1 46 46 TYR HE1 H 1 6.273 0.02 . 1 . . . . . . . . 5237 1 267 . 1 1 46 46 TYR HE2 H 1 6.273 0.02 . 1 . . . . . . . . 5237 1 268 . 1 1 46 46 TYR HD2 H 1 7.274 0.02 . 1 . . . . . . . . 5237 1 269 . 1 1 47 47 CYS N N 15 116.966 0.04 . 1 . . . . . . . . 5237 1 270 . 1 1 47 47 CYS H H 1 8.133 0.02 . 1 . . . . . . . . 5237 1 271 . 1 1 47 47 CYS CA C 13 56.648 0.06 . 1 . . . . . . . . 5237 1 272 . 1 1 47 47 CYS HA H 1 4.308 0.02 . 1 . . . . . . . . 5237 1 273 . 1 1 47 47 CYS CB C 13 29.854 0.06 . 1 . . . . . . . . 5237 1 274 . 1 1 47 47 CYS HB3 H 1 2.942 0.02 . 2 . . . . . . . . 5237 1 275 . 1 1 47 47 CYS HB2 H 1 2.692 0.02 . 2 . . . . . . . . 5237 1 276 . 1 1 48 48 THR N N 15 118.428 0.04 . 1 . . . . . . . . 5237 1 277 . 1 1 48 48 THR H H 1 8.600 0.02 . 1 . . . . . . . . 5237 1 278 . 1 1 48 48 THR CA C 13 58.401 0.06 . 1 . . . . . . . . 5237 1 279 . 1 1 48 48 THR HA H 1 4.685 0.02 . 1 . . . . . . . . 5237 1 280 . 1 1 48 48 THR CB C 13 73.104 0.06 . 1 . . . . . . . . 5237 1 281 . 1 1 48 48 THR HB H 1 4.508 0.02 . 1 . . . . . . . . 5237 1 282 . 1 1 48 48 THR CG2 C 13 22.706 0.06 . 1 . . . . . . . . 5237 1 283 . 1 1 48 48 THR HG21 H 1 1.162 0.02 . 1 . . . . . . . . 5237 1 284 . 1 1 48 48 THR HG22 H 1 1.162 0.02 . 1 . . . . . . . . 5237 1 285 . 1 1 48 48 THR HG23 H 1 1.162 0.02 . 1 . . . . . . . . 5237 1 286 . 1 1 49 49 ASN N N 15 119.462 0.04 . 1 . . . . . . . . 5237 1 287 . 1 1 49 49 ASN H H 1 9.332 0.02 . 1 . . . . . . . . 5237 1 288 . 1 1 49 49 ASN CA C 13 55.904 0.06 . 1 . . . . . . . . 5237 1 289 . 1 1 49 49 ASN HA H 1 4.345 0.02 . 1 . . . . . . . . 5237 1 290 . 1 1 49 49 ASN CB C 13 38.211 0.06 . 1 . . . . . . . . 5237 1 291 . 1 1 49 49 ASN HB3 H 1 2.923 0.02 . 2 . . . . . . . . 5237 1 292 . 1 1 49 49 ASN HB2 H 1 2.805 0.02 . 2 . . . . . . . . 5237 1 293 . 1 1 49 49 ASN ND2 N 15 113.072 0.04 . 1 . . . . . . . . 5237 1 294 . 1 1 49 49 ASN HD21 H 1 6.930 0.02 . 2 . . . . . . . . 5237 1 295 . 1 1 49 49 ASN HD22 H 1 7.654 0.02 . 2 . . . . . . . . 5237 1 296 . 1 1 50 50 LEU N N 15 119.098 0.04 . 1 . . . . . . . . 5237 1 297 . 1 1 50 50 LEU H H 1 8.214 0.02 . 1 . . . . . . . . 5237 1 298 . 1 1 50 50 LEU CA C 13 56.912 0.06 . 1 . . . . . . . . 5237 1 299 . 1 1 50 50 LEU HA H 1 4.227 0.02 . 1 . . . . . . . . 5237 1 300 . 1 1 50 50 LEU CB C 13 42.660 0.06 . 1 . . . . . . . . 5237 1 301 . 1 1 50 50 LEU HB3 H 1 1.665 0.02 . 2 . . . . . . . . 5237 1 302 . 1 1 50 50 LEU HB2 H 1 1.788 0.02 . 2 . . . . . . . . 5237 1 303 . 1 1 50 50 LEU CG C 13 26.174 0.06 . 1 . . . . . . . . 5237 1 304 . 1 1 50 50 LEU HG H 1 1.811 0.02 . 1 . . . . . . . . 5237 1 305 . 1 1 50 50 LEU CD1 C 13 23.539 0.06 . 2 . . . . . . . . 5237 1 306 . 1 1 50 50 LEU HD11 H 1 0.874 0.02 . 4 . . . . . . . . 5237 1 307 . 1 1 50 50 LEU HD12 H 1 0.874 0.02 . 4 . . . . . . . . 5237 1 308 . 1 1 50 50 LEU HD13 H 1 0.874 0.02 . 4 . . . . . . . . 5237 1 309 . 1 1 51 51 THR N N 15 116.560 0.04 . 1 . . . . . . . . 5237 1 310 . 1 1 51 51 THR H H 1 8.098 0.02 . 1 . . . . . . . . 5237 1 311 . 1 1 51 51 THR CA C 13 58.938 0.06 . 1 . . . . . . . . 5237 1 312 . 1 1 51 51 THR HA H 1 4.492 0.02 . 1 . . . . . . . . 5237 1 313 . 1 1 51 51 THR CB C 13 70.648 0.06 . 1 . . . . . . . . 5237 1 314 . 1 1 52 52 PRO CA C 13 64.033 0.06 . 1 . . . . . . . . 5237 1 315 . 1 1 52 52 PRO HA H 1 4.711 0.02 . 1 . . . . . . . . 5237 1 316 . 1 1 52 52 PRO CB C 13 32.099 0.06 . 1 . . . . . . . . 5237 1 317 . 1 1 52 52 PRO HB3 H 1 2.408 0.02 . 1 . . . . . . . . 5237 1 318 . 1 1 52 52 PRO HB2 H 1 2.408 0.02 . 1 . . . . . . . . 5237 1 319 . 1 1 52 52 PRO CG C 13 27.196 0.06 . 1 . . . . . . . . 5237 1 320 . 1 1 52 52 PRO HG3 H 1 2.019 0.02 . 1 . . . . . . . . 5237 1 321 . 1 1 52 52 PRO HG2 H 1 2.019 0.02 . 1 . . . . . . . . 5237 1 322 . 1 1 52 52 PRO CD C 13 50.233 0.06 . 1 . . . . . . . . 5237 1 323 . 1 1 52 52 PRO HD3 H 1 3.723 0.02 . 1 . . . . . . . . 5237 1 324 . 1 1 52 52 PRO HD2 H 1 3.723 0.02 . 1 . . . . . . . . 5237 1 325 . 1 1 53 53 GLU N N 15 115.794 0.04 . 1 . . . . . . . . 5237 1 326 . 1 1 53 53 GLU H H 1 7.564 0.02 . 1 . . . . . . . . 5237 1 327 . 1 1 53 53 GLU CA C 13 55.275 0.06 . 1 . . . . . . . . 5237 1 328 . 1 1 53 53 GLU HA H 1 4.237 0.02 . 1 . . . . . . . . 5237 1 329 . 1 1 53 53 GLU CB C 13 31.619 0.06 . 1 . . . . . . . . 5237 1 330 . 1 1 53 53 GLU HB3 H 1 2.050 0.02 . 1 . . . . . . . . 5237 1 331 . 1 1 53 53 GLU HB2 H 1 2.050 0.02 . 1 . . . . . . . . 5237 1 332 . 1 1 53 53 GLU CG C 13 35.423 0.06 . 1 . . . . . . . . 5237 1 333 . 1 1 53 53 GLU HG3 H 1 2.293 0.02 . 1 . . . . . . . . 5237 1 334 . 1 1 53 53 GLU HG2 H 1 2.293 0.02 . 1 . . . . . . . . 5237 1 335 . 1 1 54 54 GLY N N 15 117.922 0.04 . 1 . . . . . . . . 5237 1 336 . 1 1 54 54 GLY H H 1 7.670 0.02 . 1 . . . . . . . . 5237 1 337 . 1 1 54 54 GLY CA C 13 43.895 0.06 . 1 . . . . . . . . 5237 1 338 . 1 1 54 54 GLY HA3 H 1 2.113 0.02 . 2 . . . . . . . . 5237 1 339 . 1 1 54 54 GLY HA2 H 1 2.137 0.02 . 2 . . . . . . . . 5237 1 340 . 1 1 55 55 TYR N N 15 115.080 0.04 . 1 . . . . . . . . 5237 1 341 . 1 1 55 55 TYR H H 1 8.920 0.02 . 1 . . . . . . . . 5237 1 342 . 1 1 55 55 TYR CA C 13 57.614 0.06 . 1 . . . . . . . . 5237 1 343 . 1 1 55 55 TYR HA H 1 5.227 0.02 . 1 . . . . . . . . 5237 1 344 . 1 1 55 55 TYR CB C 13 43.766 0.06 . 1 . . . . . . . . 5237 1 345 . 1 1 55 55 TYR HB3 H 1 3.207 0.02 . 2 . . . . . . . . 5237 1 346 . 1 1 55 55 TYR HB2 H 1 2.323 0.02 . 2 . . . . . . . . 5237 1 347 . 1 1 55 55 TYR HD1 H 1 6.862 0.02 . 1 . . . . . . . . 5237 1 348 . 1 1 55 55 TYR HD2 H 1 6.862 0.02 . 1 . . . . . . . . 5237 1 349 . 1 1 56 56 ALA N N 15 122.196 0.04 . 1 . . . . . . . . 5237 1 350 . 1 1 56 56 ALA H H 1 7.711 0.02 . 1 . . . . . . . . 5237 1 351 . 1 1 56 56 ALA CA C 13 49.459 0.06 . 1 . . . . . . . . 5237 1 352 . 1 1 56 56 ALA HA H 1 4.704 0.02 . 1 . . . . . . . . 5237 1 353 . 1 1 56 56 ALA CB C 13 19.035 0.06 . 1 . . . . . . . . 5237 1 354 . 1 1 56 56 ALA HB1 H 1 0.652 0.02 . 1 . . . . . . . . 5237 1 355 . 1 1 56 56 ALA HB2 H 1 0.652 0.02 . 1 . . . . . . . . 5237 1 356 . 1 1 56 56 ALA HB3 H 1 0.652 0.02 . 1 . . . . . . . . 5237 1 357 . 1 1 57 57 VAL N N 15 123.800 0.04 . 1 . . . . . . . . 5237 1 358 . 1 1 57 57 VAL H H 1 9.162 0.02 . 1 . . . . . . . . 5237 1 359 . 1 1 57 57 VAL CA C 13 60.556 0.06 . 1 . . . . . . . . 5237 1 360 . 1 1 57 57 VAL HA H 1 4.941 0.02 . 1 . . . . . . . . 5237 1 361 . 1 1 57 57 VAL CB C 13 34.829 0.06 . 1 . . . . . . . . 5237 1 362 . 1 1 57 57 VAL HB H 1 2.111 0.02 . 1 . . . . . . . . 5237 1 363 . 1 1 57 57 VAL CG1 C 13 21.382 0.06 . 2 . . . . . . . . 5237 1 364 . 1 1 57 57 VAL HG11 H 1 0.757 0.02 . 4 . . . . . . . . 5237 1 365 . 1 1 57 57 VAL HG12 H 1 0.757 0.02 . 4 . . . . . . . . 5237 1 366 . 1 1 57 57 VAL HG13 H 1 0.757 0.02 . 4 . . . . . . . . 5237 1 367 . 1 1 58 58 GLU N N 15 134.223 0.04 . 1 . . . . . . . . 5237 1 368 . 1 1 58 58 GLU H H 1 9.365 0.02 . 1 . . . . . . . . 5237 1 369 . 1 1 58 58 GLU CA C 13 54.461 0.06 . 1 . . . . . . . . 5237 1 370 . 1 1 58 58 GLU HA H 1 5.190 0.02 . 1 . . . . . . . . 5237 1 371 . 1 1 58 58 GLU CB C 13 32.102 0.06 . 1 . . . . . . . . 5237 1 372 . 1 1 58 58 GLU HB3 H 1 2.127 0.02 . 1 . . . . . . . . 5237 1 373 . 1 1 58 58 GLU HB2 H 1 2.127 0.02 . 1 . . . . . . . . 5237 1 374 . 1 1 58 58 GLU CG C 13 35.427 0.06 . 1 . . . . . . . . 5237 1 375 . 1 1 58 58 GLU HG3 H 1 2.583 0.02 . 2 . . . . . . . . 5237 1 376 . 1 1 58 58 GLU HG2 H 1 2.584 0.02 . 2 . . . . . . . . 5237 1 377 . 1 1 59 59 SER N N 15 122.028 0.04 . 1 . . . . . . . . 5237 1 378 . 1 1 59 59 SER H H 1 8.604 0.02 . 1 . . . . . . . . 5237 1 379 . 1 1 59 59 SER CA C 13 58.401 0.06 . 1 . . . . . . . . 5237 1 380 . 1 1 59 59 SER CB C 13 62.143 0.06 . 1 . . . . . . . . 5237 1 381 . 1 1 59 59 SER HB3 H 1 3.818 0.02 . 1 . . . . . . . . 5237 1 382 . 1 1 59 59 SER HB2 H 1 3.818 0.02 . 1 . . . . . . . . 5237 1 383 . 1 1 60 60 GLU N N 15 123.660 0.04 . 1 . . . . . . . . 5237 1 384 . 1 1 60 60 GLU H H 1 8.553 0.02 . 1 . . . . . . . . 5237 1 385 . 1 1 60 60 GLU CA C 13 56.320 0.06 . 1 . . . . . . . . 5237 1 386 . 1 1 60 60 GLU HA H 1 4.368 0.02 . 1 . . . . . . . . 5237 1 387 . 1 1 60 60 GLU CB C 13 29.369 0.06 . 1 . . . . . . . . 5237 1 388 . 1 1 60 60 GLU HB3 H 1 2.102 0.02 . 2 . . . . . . . . 5237 1 389 . 1 1 60 60 GLU HB2 H 1 2.000 0.02 . 2 . . . . . . . . 5237 1 390 . 1 1 60 60 GLU CG C 13 34.193 0.06 . 1 . . . . . . . . 5237 1 391 . 1 1 61 61 ALA N N 15 123.791 0.04 . 1 . . . . . . . . 5237 1 392 . 1 1 61 61 ALA H H 1 8.069 0.02 . 1 . . . . . . . . 5237 1 393 . 1 1 61 61 ALA CA C 13 51.726 0.06 . 1 . . . . . . . . 5237 1 394 . 1 1 61 61 ALA HA H 1 4.469 0.02 . 1 . . . . . . . . 5237 1 395 . 1 1 61 61 ALA CB C 13 20.072 0.06 . 1 . . . . . . . . 5237 1 396 . 1 1 61 61 ALA HB1 H 1 1.485 0.02 . 1 . . . . . . . . 5237 1 397 . 1 1 61 61 ALA HB2 H 1 1.485 0.02 . 1 . . . . . . . . 5237 1 398 . 1 1 61 61 ALA HB3 H 1 1.485 0.02 . 1 . . . . . . . . 5237 1 399 . 1 1 62 62 HIS N N 15 117.561 0.04 . 1 . . . . . . . . 5237 1 400 . 1 1 62 62 HIS H H 1 7.841 0.02 . 1 . . . . . . . . 5237 1 401 . 1 1 62 62 HIS CA C 13 50.623 0.06 . 1 . . . . . . . . 5237 1 402 . 1 1 62 62 HIS HA H 1 5.013 0.02 . 1 . . . . . . . . 5237 1 403 . 1 1 62 62 HIS CB C 13 29.248 0.06 . 1 . . . . . . . . 5237 1 404 . 1 1 62 62 HIS HB3 H 1 3.149 0.02 . 1 . . . . . . . . 5237 1 405 . 1 1 62 62 HIS HB2 H 1 3.149 0.02 . 1 . . . . . . . . 5237 1 406 . 1 1 62 62 HIS NE2 N 15 166.880 0.04 . 1 . . . . . . . . 5237 1 407 . 1 1 62 62 HIS HE2 H 1 11.800 0.02 . 4 . . . . . . . . 5237 1 408 . 1 1 62 62 HIS HE1 H 1 7.951 0.02 . 4 . . . . . . . . 5237 1 409 . 1 1 62 62 HIS ND1 N 15 219.418 0.04 . 1 . . . . . . . . 5237 1 410 . 1 1 62 62 HIS HD1 H 1 6.866 0.02 . 4 . . . . . . . . 5237 1 411 . 1 1 63 63 PRO CA C 13 64.707 0.06 . 1 . . . . . . . . 5237 1 412 . 1 1 63 63 PRO HA H 1 4.387 0.02 . 1 . . . . . . . . 5237 1 413 . 1 1 63 63 PRO CB C 13 32.134 0.06 . 1 . . . . . . . . 5237 1 414 . 1 1 63 63 PRO HB3 H 1 1.935 0.02 . 1 . . . . . . . . 5237 1 415 . 1 1 63 63 PRO HB2 H 1 1.935 0.02 . 1 . . . . . . . . 5237 1 416 . 1 1 63 63 PRO CG C 13 27.502 0.06 . 1 . . . . . . . . 5237 1 417 . 1 1 63 63 PRO HG3 H 1 1.914 0.02 . 1 . . . . . . . . 5237 1 418 . 1 1 63 63 PRO HG2 H 1 1.914 0.02 . 1 . . . . . . . . 5237 1 419 . 1 1 63 63 PRO CD C 13 50.240 0.06 . 1 . . . . . . . . 5237 1 420 . 1 1 63 63 PRO HD3 H 1 3.492 0.02 . 1 . . . . . . . . 5237 1 421 . 1 1 63 63 PRO HD2 H 1 3.492 0.02 . 1 . . . . . . . . 5237 1 422 . 1 1 64 64 GLY N N 15 115.827 0.04 . 1 . . . . . . . . 5237 1 423 . 1 1 64 64 GLY H H 1 10.618 0.02 . 1 . . . . . . . . 5237 1 424 . 1 1 64 64 GLY CA C 13 45.232 0.06 . 1 . . . . . . . . 5237 1 425 . 1 1 64 64 GLY HA3 H 1 3.776 0.02 . 2 . . . . . . . . 5237 1 426 . 1 1 64 64 GLY HA2 H 1 4.352 0.02 . 2 . . . . . . . . 5237 1 427 . 1 1 65 65 SER N N 15 120.645 0.04 . 1 . . . . . . . . 5237 1 428 . 1 1 65 65 SER H H 1 8.832 0.02 . 1 . . . . . . . . 5237 1 429 . 1 1 65 65 SER CA C 13 60.649 0.06 . 1 . . . . . . . . 5237 1 430 . 1 1 65 65 SER HA H 1 4.586 0.02 . 1 . . . . . . . . 5237 1 431 . 1 1 65 65 SER CB C 13 63.646 0.06 . 1 . . . . . . . . 5237 1 432 . 1 1 66 66 VAL N N 15 127.545 0.04 . 1 . . . . . . . . 5237 1 433 . 1 1 66 66 VAL H H 1 8.230 0.02 . 1 . . . . . . . . 5237 1 434 . 1 1 66 66 VAL CA C 13 60.369 0.06 . 1 . . . . . . . . 5237 1 435 . 1 1 66 66 VAL HA H 1 4.890 0.02 . 1 . . . . . . . . 5237 1 436 . 1 1 66 66 VAL CB C 13 34.379 0.06 . 1 . . . . . . . . 5237 1 437 . 1 1 66 66 VAL HB H 1 1.411 0.02 . 1 . . . . . . . . 5237 1 438 . 1 1 66 66 VAL CG2 C 13 22.857 0.06 . 2 . . . . . . . . 5237 1 439 . 1 1 66 66 VAL HG21 H 1 0.773 0.02 . 4 . . . . . . . . 5237 1 440 . 1 1 66 66 VAL HG22 H 1 0.773 0.02 . 4 . . . . . . . . 5237 1 441 . 1 1 66 66 VAL HG23 H 1 0.773 0.02 . 4 . . . . . . . . 5237 1 442 . 1 1 66 66 VAL CG1 C 13 22.885 0.06 . 2 . . . . . . . . 5237 1 443 . 1 1 66 66 VAL HG11 H 1 0.114 0.02 . 4 . . . . . . . . 5237 1 444 . 1 1 66 66 VAL HG12 H 1 0.114 0.02 . 4 . . . . . . . . 5237 1 445 . 1 1 66 66 VAL HG13 H 1 0.114 0.02 . 4 . . . . . . . . 5237 1 446 . 1 1 67 67 GLN N N 15 123.920 0.04 . 1 . . . . . . . . 5237 1 447 . 1 1 67 67 GLN H H 1 7.870 0.02 . 1 . . . . . . . . 5237 1 448 . 1 1 67 67 GLN CA C 13 53.852 0.06 . 1 . . . . . . . . 5237 1 449 . 1 1 67 67 GLN HA H 1 5.466 0.02 . 1 . . . . . . . . 5237 1 450 . 1 1 67 67 GLN CB C 13 32.715 0.06 . 1 . . . . . . . . 5237 1 451 . 1 1 67 67 GLN HB3 H 1 2.102 0.02 . 2 . . . . . . . . 5237 1 452 . 1 1 67 67 GLN HB2 H 1 1.100 0.02 . 2 . . . . . . . . 5237 1 453 . 1 1 67 67 GLN CG C 13 34.611 0.06 . 1 . . . . . . . . 5237 1 454 . 1 1 67 67 GLN HG3 H 1 2.331 0.02 . 1 . . . . . . . . 5237 1 455 . 1 1 67 67 GLN HG2 H 1 2.331 0.02 . 1 . . . . . . . . 5237 1 456 . 1 1 68 68 ILE N N 15 113.418 0.04 . 1 . . . . . . . . 5237 1 457 . 1 1 68 68 ILE H H 1 7.213 0.02 . 1 . . . . . . . . 5237 1 458 . 1 1 68 68 ILE CA C 13 57.328 0.06 . 1 . . . . . . . . 5237 1 459 . 1 1 68 68 ILE HA H 1 5.128 0.02 . 1 . . . . . . . . 5237 1 460 . 1 1 68 68 ILE CB C 13 38.191 0.06 . 1 . . . . . . . . 5237 1 461 . 1 1 68 68 ILE HB H 1 1.392 0.02 . 1 . . . . . . . . 5237 1 462 . 1 1 68 68 ILE CD1 C 13 12.869 0.06 . 1 . . . . . . . . 5237 1 463 . 1 1 68 68 ILE HD11 H 1 -0.322 0.02 . 1 . . . . . . . . 5237 1 464 . 1 1 68 68 ILE HD12 H 1 -0.322 0.02 . 1 . . . . . . . . 5237 1 465 . 1 1 68 68 ILE HD13 H 1 -0.322 0.02 . 1 . . . . . . . . 5237 1 466 . 1 1 68 68 ILE CG2 C 13 17.650 0.06 . 2 . . . . . . . . 5237 1 467 . 1 1 68 68 ILE HG21 H 1 -0.068 0.02 . 4 . . . . . . . . 5237 1 468 . 1 1 68 68 ILE HG22 H 1 -0.068 0.02 . 4 . . . . . . . . 5237 1 469 . 1 1 68 68 ILE HG23 H 1 -0.068 0.02 . 4 . . . . . . . . 5237 1 470 . 1 1 69 69 TYR N N 15 117.859 0.04 . 1 . . . . . . . . 5237 1 471 . 1 1 69 69 TYR H H 1 8.885 0.02 . 1 . . . . . . . . 5237 1 472 . 1 1 69 69 TYR CA C 13 56.255 0.06 . 1 . . . . . . . . 5237 1 473 . 1 1 69 69 TYR HA H 1 4.978 0.02 . 1 . . . . . . . . 5237 1 474 . 1 1 69 69 TYR CB C 13 44.093 0.06 . 1 . . . . . . . . 5237 1 475 . 1 1 69 69 TYR HB3 H 1 3.111 0.02 . 2 . . . . . . . . 5237 1 476 . 1 1 69 69 TYR HB2 H 1 2.157 0.02 . 2 . . . . . . . . 5237 1 477 . 1 1 69 69 TYR HE1 H 1 6.432 0.02 . 1 . . . . . . . . 5237 1 478 . 1 1 69 69 TYR HE2 H 1 6.432 0.02 . 1 . . . . . . . . 5237 1 479 . 1 1 70 70 PRO CA C 13 61.631 0.06 . 1 . . . . . . . . 5237 1 480 . 1 1 70 70 PRO HA H 1 3.712 0.02 . 1 . . . . . . . . 5237 1 481 . 1 1 70 70 PRO CB C 13 33.795 0.06 . 1 . . . . . . . . 5237 1 482 . 1 1 70 70 PRO HB3 H 1 2.359 0.02 . 1 . . . . . . . . 5237 1 483 . 1 1 70 70 PRO HB2 H 1 2.359 0.02 . 1 . . . . . . . . 5237 1 484 . 1 1 70 70 PRO CG C 13 27.955 0.06 . 1 . . . . . . . . 5237 1 485 . 1 1 70 70 PRO HG3 H 1 2.174 0.02 . 1 . . . . . . . . 5237 1 486 . 1 1 70 70 PRO HG2 H 1 2.174 0.02 . 1 . . . . . . . . 5237 1 487 . 1 1 70 70 PRO CD C 13 51.191 0.06 . 1 . . . . . . . . 5237 1 488 . 1 1 71 71 VAL N N 15 121.179 0.04 . 1 . . . . . . . . 5237 1 489 . 1 1 71 71 VAL H H 1 8.377 0.02 . 1 . . . . . . . . 5237 1 490 . 1 1 71 71 VAL CA C 13 66.033 0.06 . 1 . . . . . . . . 5237 1 491 . 1 1 71 71 VAL HA H 1 4.130 0.02 . 1 . . . . . . . . 5237 1 492 . 1 1 71 71 VAL CB C 13 32.129 0.06 . 1 . . . . . . . . 5237 1 493 . 1 1 71 71 VAL HB H 1 2.265 0.02 . 1 . . . . . . . . 5237 1 494 . 1 1 71 71 VAL CG2 C 13 22.609 0.06 . 2 . . . . . . . . 5237 1 495 . 1 1 71 71 VAL CG1 C 13 19.493 0.06 . 2 . . . . . . . . 5237 1 496 . 1 1 71 71 VAL HG11 H 1 1.213 0.02 . 4 . . . . . . . . 5237 1 497 . 1 1 71 71 VAL HG12 H 1 1.213 0.02 . 4 . . . . . . . . 5237 1 498 . 1 1 71 71 VAL HG13 H 1 1.213 0.02 . 4 . . . . . . . . 5237 1 499 . 1 1 72 72 ALA N N 15 120.321 0.04 . 1 . . . . . . . . 5237 1 500 . 1 1 72 72 ALA H H 1 8.039 0.02 . 1 . . . . . . . . 5237 1 501 . 1 1 72 72 ALA CA C 13 53.292 0.06 . 1 . . . . . . . . 5237 1 502 . 1 1 72 72 ALA HA H 1 4.051 0.02 . 1 . . . . . . . . 5237 1 503 . 1 1 72 72 ALA CB C 13 18.439 0.06 . 1 . . . . . . . . 5237 1 504 . 1 1 72 72 ALA HB1 H 1 1.381 0.02 . 1 . . . . . . . . 5237 1 505 . 1 1 72 72 ALA HB2 H 1 1.381 0.02 . 1 . . . . . . . . 5237 1 506 . 1 1 72 72 ALA HB3 H 1 1.381 0.02 . 1 . . . . . . . . 5237 1 507 . 1 1 73 73 ALA N N 15 122.925 0.04 . 1 . . . . . . . . 5237 1 508 . 1 1 73 73 ALA H H 1 8.027 0.02 . 1 . . . . . . . . 5237 1 509 . 1 1 73 73 ALA CA C 13 52.486 0.06 . 1 . . . . . . . . 5237 1 510 . 1 1 73 73 ALA HA H 1 4.331 0.02 . 1 . . . . . . . . 5237 1 511 . 1 1 73 73 ALA CB C 13 20.576 0.06 . 1 . . . . . . . . 5237 1 512 . 1 1 73 73 ALA HB1 H 1 1.591 0.02 . 1 . . . . . . . . 5237 1 513 . 1 1 73 73 ALA HB2 H 1 1.591 0.02 . 1 . . . . . . . . 5237 1 514 . 1 1 73 73 ALA HB3 H 1 1.591 0.02 . 1 . . . . . . . . 5237 1 515 . 1 1 74 74 LEU N N 15 119.138 0.04 . 1 . . . . . . . . 5237 1 516 . 1 1 74 74 LEU H H 1 7.791 0.02 . 1 . . . . . . . . 5237 1 517 . 1 1 74 74 LEU CA C 13 53.583 0.06 . 1 . . . . . . . . 5237 1 518 . 1 1 74 74 LEU HA H 1 5.158 0.02 . 1 . . . . . . . . 5237 1 519 . 1 1 74 74 LEU CB C 13 47.491 0.06 . 1 . . . . . . . . 5237 1 520 . 1 1 74 74 LEU CG C 13 26.401 0.06 . 1 . . . . . . . . 5237 1 521 . 1 1 74 74 LEU HG H 1 0.796 0.02 . 1 . . . . . . . . 5237 1 522 . 1 1 74 74 LEU CD1 C 13 21.441 0.06 . 2 . . . . . . . . 5237 1 523 . 1 1 74 74 LEU HD11 H 1 0.402 0.02 . 4 . . . . . . . . 5237 1 524 . 1 1 74 74 LEU HD12 H 1 0.402 0.02 . 4 . . . . . . . . 5237 1 525 . 1 1 74 74 LEU HD13 H 1 0.402 0.02 . 4 . . . . . . . . 5237 1 526 . 1 1 74 74 LEU HD21 H 1 0.784 0.02 . 4 . . . . . . . . 5237 1 527 . 1 1 74 74 LEU HD22 H 1 0.784 0.02 . 4 . . . . . . . . 5237 1 528 . 1 1 74 74 LEU HD23 H 1 0.784 0.02 . 4 . . . . . . . . 5237 1 529 . 1 1 75 75 GLU N N 15 115.055 0.04 . 1 . . . . . . . . 5237 1 530 . 1 1 75 75 GLU H H 1 8.810 0.02 . 1 . . . . . . . . 5237 1 531 . 1 1 75 75 GLU CA C 13 53.662 0.06 . 1 . . . . . . . . 5237 1 532 . 1 1 75 75 GLU HA H 1 4.971 0.02 . 1 . . . . . . . . 5237 1 533 . 1 1 75 75 GLU CB C 13 33.702 0.06 . 1 . . . . . . . . 5237 1 534 . 1 1 75 75 GLU HB3 H 1 2.070 0.02 . 2 . . . . . . . . 5237 1 535 . 1 1 75 75 GLU HB2 H 1 2.099 0.02 . 2 . . . . . . . . 5237 1 536 . 1 1 76 76 ARG N N 15 122.277 0.04 . 1 . . . . . . . . 5237 1 537 . 1 1 76 76 ARG H H 1 8.871 0.02 . 1 . . . . . . . . 5237 1 538 . 1 1 76 76 ARG CA C 13 56.767 0.06 . 1 . . . . . . . . 5237 1 539 . 1 1 76 76 ARG HA H 1 4.472 0.02 . 1 . . . . . . . . 5237 1 540 . 1 1 76 76 ARG CB C 13 31.083 0.06 . 1 . . . . . . . . 5237 1 541 . 1 1 76 76 ARG HB3 H 1 1.843 0.02 . 2 . . . . . . . . 5237 1 542 . 1 1 76 76 ARG HB2 H 1 1.867 0.02 . 2 . . . . . . . . 5237 1 543 . 1 1 76 76 ARG CG C 13 28.367 0.06 . 1 . . . . . . . . 5237 1 544 . 1 1 76 76 ARG HG3 H 1 1.680 0.02 . 1 . . . . . . . . 5237 1 545 . 1 1 76 76 ARG HG2 H 1 1.680 0.02 . 1 . . . . . . . . 5237 1 546 . 1 1 76 76 ARG CD C 13 43.245 0.06 . 1 . . . . . . . . 5237 1 547 . 1 1 76 76 ARG HD3 H 1 3.326 0.02 . 2 . . . . . . . . 5237 1 548 . 1 1 76 76 ARG HD2 H 1 3.277 0.02 . 2 . . . . . . . . 5237 1 549 . 1 1 76 76 ARG NE N 15 84.135 0.04 . 1 . . . . . . . . 5237 1 550 . 1 1 76 76 ARG HE H 1 7.336 0.02 . 1 . . . . . . . . 5237 1 551 . 1 1 77 77 ILE N N 15 121.117 0.04 . 1 . . . . . . . . 5237 1 552 . 1 1 77 77 ILE H H 1 7.997 0.02 . 1 . . . . . . . . 5237 1 553 . 1 1 77 77 ILE CA C 13 60.985 0.06 . 1 . . . . . . . . 5237 1 554 . 1 1 77 77 ILE HA H 1 4.211 0.02 . 1 . . . . . . . . 5237 1 555 . 1 1 77 77 ILE CB C 13 39.409 0.06 . 1 . . . . . . . . 5237 1 556 . 1 1 77 77 ILE HB H 1 1.689 0.02 . 1 . . . . . . . . 5237 1 557 . 1 1 77 77 ILE CG1 C 13 26.948 0.06 . 2 . . . . . . . . 5237 1 558 . 1 1 77 77 ILE HG13 H 1 1.268 0.02 . 9 . . . . . . . . 5237 1 559 . 1 1 77 77 ILE HG12 H 1 0.927 0.02 . 9 . . . . . . . . 5237 1 560 . 1 1 77 77 ILE CD1 C 13 13.568 0.06 . 1 . . . . . . . . 5237 1 561 . 1 1 77 77 ILE HD11 H 1 0.668 0.02 . 1 . . . . . . . . 5237 1 562 . 1 1 77 77 ILE HD12 H 1 0.668 0.02 . 1 . . . . . . . . 5237 1 563 . 1 1 77 77 ILE HD13 H 1 0.668 0.02 . 1 . . . . . . . . 5237 1 564 . 1 1 77 77 ILE CG2 C 13 17.631 0.06 . 2 . . . . . . . . 5237 1 565 . 1 1 77 77 ILE HG21 H 1 0.801 0.02 . 4 . . . . . . . . 5237 1 566 . 1 1 77 77 ILE HG22 H 1 0.801 0.02 . 4 . . . . . . . . 5237 1 567 . 1 1 77 77 ILE HG23 H 1 0.801 0.02 . 4 . . . . . . . . 5237 1 568 . 1 1 78 78 ASN N N 15 126.959 0.04 . 1 . . . . . . . . 5237 1 569 . 1 1 78 78 ASN H H 1 7.941 0.02 . 1 . . . . . . . . 5237 1 570 . 1 1 78 78 ASN CA C 13 55.406 0.06 . 1 . . . . . . . . 5237 1 571 . 1 1 78 78 ASN HA H 1 4.454 0.02 . 1 . . . . . . . . 5237 1 572 . 1 1 78 78 ASN CB C 13 40.736 0.06 . 1 . . . . . . . . 5237 1 573 . 1 1 78 78 ASN HB3 H 1 2.661 0.02 . 1 . . . . . . . . 5237 1 574 . 1 1 78 78 ASN HB2 H 1 2.661 0.02 . 1 . . . . . . . . 5237 1 575 . 1 1 78 78 ASN ND2 N 15 112.631 0.04 . 1 . . . . . . . . 5237 1 576 . 1 1 78 78 ASN HD21 H 1 6.796 0.02 . 2 . . . . . . . . 5237 1 577 . 1 1 78 78 ASN HD22 H 1 7.497 0.02 . 2 . . . . . . . . 5237 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 110 5237 1 1 109 5237 1 1 108 5237 1 1 106 5237 1 1 105 5237 1 1 104 5237 1 2 244 5237 1 2 243 5237 1 2 242 5237 1 3 308 5237 1 3 307 5237 1 3 306 5237 1 4 366 5237 1 4 365 5237 1 4 364 5237 1 5 445 5237 1 5 444 5237 1 5 443 5237 1 5 441 5237 1 5 440 5237 1 5 439 5237 1 6 469 5237 1 6 468 5237 1 6 467 5237 1 7 498 5237 1 7 497 5237 1 7 496 5237 1 8 528 5237 1 8 527 5237 1 8 526 5237 1 8 525 5237 1 8 524 5237 1 8 523 5237 1 9 567 5237 1 9 566 5237 1 9 565 5237 1 stop_ save_