data_5935 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5935 _Entry.Title ; Sequence-specific 1H, 13C and 15N resonance assignments of rat liver fructose-2,6-bisphosphatase domain ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-09-05 _Entry.Accession_date 2003-09-08 _Entry.Last_release_date 2003-10-06 _Entry.Original_release_date 2003-10-06 _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 Klaus Zangger . . . 5935 2 Konstantin Pervushin . . . 5935 3 Heinz Sterk . . . 5935 4 Alex Lange . J. . 5935 5 David Okar . A. . 5935 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5935 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 163 5935 '13C chemical shifts' 558 5935 '15N chemical shifts' 163 5935 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 . . 2003-10-06 2003-09-05 original author . 5935 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5935 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Sequence-specific 1H, 13C and 15N resonance assignments of rat liver fructose-2,6-bisphosphatase domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 281 _Citation.Page_last 282 _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 Klaus Zangger . . . 5935 1 2 Konstantin Pervushin . . . 5935 1 3 Heinz Sterk . . . 5935 1 4 Alex Lange . J. . 5935 1 5 David Okar . A. . 5935 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5935 _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. . . 5935 2 2 S. Grzesiek S. . . 5935 2 3 G.W. Vuister G. W. . 5935 2 4 G. Zhu G. . . 5935 2 5 J. Pfeifer J. . . 5935 2 6 A. Bax A. . . 5935 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5935 _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 published _Citation.Type journal _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_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 5935 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8634242 _Citation.Full_citation ; Lee, Y. H., Ogata, C., Pflugrath, J. W., Levitt, D. G., Sarma, R., Banaszak, L. J., and Pilkis, S. J. (1996) Biochemistry 35(19), 6010-9. ; _Citation.Title 'Crystal structure of the rat liver fructose-2,6-bisphosphatase based on selenomethionine multiwavelength anomalous dispersion phases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 35 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 6010 _Citation.Page_last 6019 _Citation.Year 1996 _Citation.Details ; The crystal structure of the recombinant fructose-2,6-bisphosphatase domain, which covers the residues between 251 and 440 of the rat liver bifunctional enzyme, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase, was determined by multiwavelength anomalous dispersion phasing and refined at 2.5 A resolution. The selenomethionine-substituted protein was induced in the methionine auxotroph, Escherichia coli DL41DE3, purified, and crystallized in a manner similar to that of the native protein. Phase information was calculated using the multiwavelength anomalous dispersion data collected at the X-ray wavelengths near the absorption edge of the K-shell alpha electrons of selenium. The fructose-2,6-bisphosphatase domain has a core alpha/beta structure which consists of six stacked beta-strands, four parallel and two antiparallel. The core beta-sheet is surrounded by nine alpha-helices. The catalytic site, as defined by a bound phosphate ion, is positioned near the C-terminal end of the beta-sheet and close to the N-terminal end of an alpha-helix. The active site pocket is funnel-shaped. The narrow opening of the funnel is wide enough for a water molecule to pass. The key catalytic residues, including His7, His141, and Glu76, are near each other at the active site and probably function as general acids and/or bases during a catalytic cycle. The inorganic phosphate molecule is bound to an anion trap formed by Arg6, His7, Arg56, and His141. The core structure of the Fru-2,6-P2ase is similar to that of the yeast phosphoglycerate mutase and the rat prostatic acid phosphatase. However, the structure of one of the loops near the active site is completely different from the other family members, perhaps reflecting functional differences and the nanomolar range affinity of Fru-2,6-P2ase for its substrate. The imidazole rings of the two key catalytic residues, His7 and His141, are not parallel as in the yeast phosphoglycerate mutase. The crystal structure is used to interpret the existing chemical data already available for the bisphosphatase domain. In addition, the crystal structure is compared with two other proteins that belong to the histidine phosphatase family. ; 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 Y.H. Lee Y. H. . 5935 4 2 C. Ogata C. . . 5935 4 3 J.W. Pflugrath J. W. . 5935 4 4 D.G. Levitt D. G. . 5935 4 5 R. Sarma R. . . 5935 4 6 L.J. Banaszak L. J. . 5935 4 7 S.J. Pilkis S. J. . 5935 4 stop_ save_ save_ref_4 _Citation.Sf_category citations _Citation.Sf_framecode ref_4 _Citation.Entry_ID 5935 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8805587 _Citation.Full_citation ; Hasemann, C. A., Istvan, E. S., Uyeda, K., and Deisenhofer, J. (1996) Structure 4(9), 1017-29. ; _Citation.Title 'The crystal structure of the bifunctional enzyme 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase reveals distinct domain homologies.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 4 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0969-2126 _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 1017 _Citation.Page_last 1029 _Citation.Year 1996 _Citation.Details ; BACKGROUND. Glucose homeostasis is maintained by the processes of glycolysis and gluconeogenesis. The importance of these pathways is demonstrated by the severe and life threatening effects observed in various forms of diabetes. The bifunctional enzyme 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase catalyzes both the synthesis and degradation of fructose-2,6-bisphosphate, a potent regulator of glycolysis. Thus this bifunctional enzyme plays an indirect yet key role in the regulation of glucose metabolism. RESULTS. We have determined the 2.0 A crystal structure of the rat testis isozyme of this bifunctional enzyme. The enzyme is a homodimer of 55 kDa subunits arranged in a head-to-head fashion, with each monomer consisting of independent kinase and phosphatase domains. The location of ATPgammaS and inorganic phosphate in the kinase and phosphatase domains, respectively, allow us to locate and describe the active sites of both domains. CONCLUSIONS. The kinase domain is clearly related to the superfamily of mononucleotide binding proteins, with a particularly close relationship to the adenylate kinases and the nucleotide-binding portion of the G proteins. This is in disagreement with the broad speculation that this domain would resemble phosphofructokinase. The phosphatase domain is structurally related to a family of proteins which includes the cofactor independent phosphoglycerate mutases and acid phosphatases. ; 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 C.A. Hasemann C. A. . 5935 5 2 E.S. Istvan E. S. . 5935 5 3 K. Uyeda K. . . 5935 5 4 J. Deisenhofer J. . . 5935 5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FBP-2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FBP-2 _Assembly.Entry_ID 5935 _Assembly.ID 1 _Assembly.Name fructose-2,6-bisphosphatase _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 3.1.3.46 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5935 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 'FBP-2 monomer' 1 $FBP-2_monomer . . . native . . . . . 5935 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1FBT . . . . . 'The molecule studied here contains 30 additional residues at the C-terminus.' 5935 1 . PDB 1TIP . . . . . ; The molecule studied here contains 30 additional residues at the C-terminus, and it is not a phospho-histidine intermediate. ; 5935 1 . PDB 1BIF . . . . . ; The system studied here is the biphosphatase of the bifunctional enzyme only. and it is from rat liver instead of rat testis. ; 5935 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID fructose-2,6-bisphosphatase system 5935 1 FBP-2 abbreviation 5935 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID phosphatase 5935 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FBP-2_monomer _Entity.Sf_category entity _Entity.Sf_framecode FBP-2_monomer _Entity.Entry_ID 5935 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fructose-2,6-bisphosphatase _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 ; MRSIYLCRHGESELNLRGRI GGDSGLSARGKQYAYALANF IRSQGISSLKVWTSHMKRTI QTAEALGVPYEQWKALNEID AGVCEEMTYEEIQEHYPEEF ALRDQDKYRYRYPKGESYED LVQRLEPVIMELERQENVLV ICHQAVMRCLLAYFLDKSSD ELPYLKCPLHTVLKLTPVAY GCRVESIYLNVEAVNTHRDK PENVDITREAEEALDTVPAH Y ; _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 221 _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 25554 _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 1C7Z . "Regulatory Complex Of Fructose-2,6-bisphosphatase" . . . . . 86.43 191 100.00 100.00 4.81e-138 . . . . 5935 1 2 no PDB 1C80 . "Regulatory Complex Of Fructose-2,6-bisphosphatase" . . . . . 86.43 191 100.00 100.00 4.81e-138 . . . . 5935 1 3 no PDB 1C81 . "Michaelis Complex Of Fructose-2,6-bisphosphatase" . . . . . 86.43 191 100.00 100.00 4.81e-138 . . . . 5935 1 4 no PDB 1FBT . "The Bisphosphatase Domain Of The Bifunctional Rat Liver 6- Phosphofructo-2-KinaseFRUCTOSE-2,6-Bisphosphatase" . . . . . 85.97 190 97.89 97.89 7.18e-133 . . . . 5935 1 5 no PDB 1TIP . "The Bisphosphatase Domain Of The Bifunctional Rat Liver 6- Phosphofructo-2-kinase/fructose-2,6-bisphosphatase" . . . . . 86.43 191 99.48 99.48 8.16e-137 . . . . 5935 1 6 no DBJ BAE21271 . "unnamed protein product [Mus musculus]" . . . . . 99.55 448 99.09 99.09 7.66e-157 . . . . 5935 1 7 no DBJ BAG36785 . "unnamed protein product [Homo sapiens]" . . . . . 99.55 471 97.27 99.09 3.08e-154 . . . . 5935 1 8 no DBJ BAG62397 . "unnamed protein product [Homo sapiens]" . . . . . 99.55 406 97.27 99.09 3.52e-155 . . . . 5935 1 9 no EMBL CAA33606 . "unnamed protein product [Rattus norvegicus]" . . . . . 99.55 448 100.00 100.00 1.19e-158 . . . . 5935 1 10 no EMBL CAA33607 . "6-phosphofructo-2-kinase/fructose-2, 6-bisphosphatase [Rattus norvegicus]" . . . . . 99.55 471 100.00 100.00 2.65e-158 . . . . 5935 1 11 no EMBL CAA68694 . "unnamed protein product [Rattus norvegicus]" . . . . . 99.55 471 100.00 100.00 2.65e-158 . . . . 5935 1 12 no GB AAA30696 . "6-phosphofructo-2-kinase/fructose-2, 6-bisphosphatase [Bos taurus]" . . . . . 99.55 471 97.27 99.09 6.93e-153 . . . . 5935 1 13 no GB AAA40624 . "6-phosphofructo 2-kinase/fructose 2, 6-bisphosphatase, partial [Rattus norvegicus]" . . . . . 99.55 304 100.00 100.00 7.52e-160 . . . . 5935 1 14 no GB AAA79008 . "6-phosphofructo-2-kinase/fructose-2, 6-bisphosphatase [Rattus norvegicus]" . . . . . 99.55 471 100.00 100.00 2.93e-158 . . . . 5935 1 15 no GB AAB19845 . "fructose-2,6-bisphosphatase [Bos taurus]" . . . . . 99.55 471 97.27 99.09 6.93e-153 . . . . 5935 1 16 no GB AAH96077 . "PFKFB1 protein [Homo sapiens]" . . . . . 63.35 271 97.86 99.29 5.81e-94 . . . . 5935 1 17 no PIR S77704 . "6-phosphofructo-2-kinase (EC 2.7.1.105) / fructose-2, 6-bisphosphate 2-phosphatase (EC 3.1.3.46) clone 5c, skeletal muscle - ra" . . . . . 99.55 469 100.00 100.00 5.56e-158 . . . . 5935 1 18 no REF NP_001257992 . "6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 isoform 2 [Rattus norvegicus]" . . . . . 99.55 469 100.00 100.00 5.56e-158 . . . . 5935 1 19 no REF NP_001257993 . "6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 isoform 3 [Rattus norvegicus]" . . . . . 99.55 427 100.00 100.00 2.05e-158 . . . . 5935 1 20 no REF NP_001258733 . "6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 isoform 2 [Homo sapiens]" . . . . . 99.55 449 97.27 99.09 1.24e-154 . . . . 5935 1 21 no REF NP_001258734 . "6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 isoform 3 [Homo sapiens]" . . . . . 99.55 406 97.27 99.09 3.52e-155 . . . . 5935 1 22 no REF NP_002616 . "6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 isoform 1 [Homo sapiens]" . . . . . 99.55 471 97.27 99.09 3.08e-154 . . . . 5935 1 23 no SP P07953 . "RecName: Full=6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1; Short=6PF-2-K/Fru-2,6-P2ase 1; Short=PFK/FBPase 1; AltNam" . . . . . 99.55 471 100.00 100.00 2.65e-158 . . . . 5935 1 24 no SP P16118 . "RecName: Full=6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1; Short=6PF-2-K/Fru-2,6-P2ase 1; Short=PFK/FBPase 1; AltNam" . . . . . 99.55 471 97.27 99.09 3.08e-154 . . . . 5935 1 25 no SP P49872 . "RecName: Full=6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1; Short=6PF-2-K/Fru-2,6-P2ase 1; Short=PFK/FBPase 1; AltNam" . . . . . 99.55 471 97.27 99.09 6.93e-153 . . . . 5935 1 26 no SP P70266 . "RecName: Full=6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1; Short=6PF-2-K/Fru-2,6-P2ase 1; Short=PFK/FBPase 1; AltNam" . . . . . 99.55 471 99.09 99.09 1.28e-156 . . . . 5935 1 27 no TPG DAA12796 . "TPA: 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 1 [Bos taurus]" . . . . . 99.55 471 97.73 99.55 4.01e-155 . . . . 5935 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Fructose-2,6-bisphosphatase common 5935 1 FBP-2 abbreviation 5935 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 . 5935 1 2 . ARG . 5935 1 3 . SER . 5935 1 4 . ILE . 5935 1 5 . TYR . 5935 1 6 . LEU . 5935 1 7 . CYS . 5935 1 8 . ARG . 5935 1 9 . HIS . 5935 1 10 . GLY . 5935 1 11 . GLU . 5935 1 12 . SER . 5935 1 13 . GLU . 5935 1 14 . LEU . 5935 1 15 . ASN . 5935 1 16 . LEU . 5935 1 17 . ARG . 5935 1 18 . GLY . 5935 1 19 . ARG . 5935 1 20 . ILE . 5935 1 21 . GLY . 5935 1 22 . GLY . 5935 1 23 . ASP . 5935 1 24 . SER . 5935 1 25 . GLY . 5935 1 26 . LEU . 5935 1 27 . SER . 5935 1 28 . ALA . 5935 1 29 . ARG . 5935 1 30 . GLY . 5935 1 31 . LYS . 5935 1 32 . GLN . 5935 1 33 . TYR . 5935 1 34 . ALA . 5935 1 35 . TYR . 5935 1 36 . ALA . 5935 1 37 . LEU . 5935 1 38 . ALA . 5935 1 39 . ASN . 5935 1 40 . PHE . 5935 1 41 . ILE . 5935 1 42 . ARG . 5935 1 43 . SER . 5935 1 44 . GLN . 5935 1 45 . GLY . 5935 1 46 . ILE . 5935 1 47 . SER . 5935 1 48 . SER . 5935 1 49 . LEU . 5935 1 50 . LYS . 5935 1 51 . VAL . 5935 1 52 . TRP . 5935 1 53 . THR . 5935 1 54 . SER . 5935 1 55 . HIS . 5935 1 56 . MET . 5935 1 57 . LYS . 5935 1 58 . ARG . 5935 1 59 . THR . 5935 1 60 . ILE . 5935 1 61 . GLN . 5935 1 62 . THR . 5935 1 63 . ALA . 5935 1 64 . GLU . 5935 1 65 . ALA . 5935 1 66 . LEU . 5935 1 67 . GLY . 5935 1 68 . VAL . 5935 1 69 . PRO . 5935 1 70 . TYR . 5935 1 71 . GLU . 5935 1 72 . GLN . 5935 1 73 . TRP . 5935 1 74 . LYS . 5935 1 75 . ALA . 5935 1 76 . LEU . 5935 1 77 . ASN . 5935 1 78 . GLU . 5935 1 79 . ILE . 5935 1 80 . ASP . 5935 1 81 . ALA . 5935 1 82 . GLY . 5935 1 83 . VAL . 5935 1 84 . CYS . 5935 1 85 . GLU . 5935 1 86 . GLU . 5935 1 87 . MET . 5935 1 88 . THR . 5935 1 89 . TYR . 5935 1 90 . GLU . 5935 1 91 . GLU . 5935 1 92 . ILE . 5935 1 93 . GLN . 5935 1 94 . GLU . 5935 1 95 . HIS . 5935 1 96 . TYR . 5935 1 97 . PRO . 5935 1 98 . GLU . 5935 1 99 . GLU . 5935 1 100 . PHE . 5935 1 101 . ALA . 5935 1 102 . LEU . 5935 1 103 . ARG . 5935 1 104 . ASP . 5935 1 105 . GLN . 5935 1 106 . ASP . 5935 1 107 . LYS . 5935 1 108 . TYR . 5935 1 109 . ARG . 5935 1 110 . TYR . 5935 1 111 . ARG . 5935 1 112 . TYR . 5935 1 113 . PRO . 5935 1 114 . LYS . 5935 1 115 . GLY . 5935 1 116 . GLU . 5935 1 117 . SER . 5935 1 118 . TYR . 5935 1 119 . GLU . 5935 1 120 . ASP . 5935 1 121 . LEU . 5935 1 122 . VAL . 5935 1 123 . GLN . 5935 1 124 . ARG . 5935 1 125 . LEU . 5935 1 126 . GLU . 5935 1 127 . PRO . 5935 1 128 . VAL . 5935 1 129 . ILE . 5935 1 130 . MET . 5935 1 131 . GLU . 5935 1 132 . LEU . 5935 1 133 . GLU . 5935 1 134 . ARG . 5935 1 135 . GLN . 5935 1 136 . GLU . 5935 1 137 . ASN . 5935 1 138 . VAL . 5935 1 139 . LEU . 5935 1 140 . VAL . 5935 1 141 . ILE . 5935 1 142 . CYS . 5935 1 143 . HIS . 5935 1 144 . GLN . 5935 1 145 . ALA . 5935 1 146 . VAL . 5935 1 147 . MET . 5935 1 148 . ARG . 5935 1 149 . CYS . 5935 1 150 . LEU . 5935 1 151 . LEU . 5935 1 152 . ALA . 5935 1 153 . TYR . 5935 1 154 . PHE . 5935 1 155 . LEU . 5935 1 156 . ASP . 5935 1 157 . LYS . 5935 1 158 . SER . 5935 1 159 . SER . 5935 1 160 . ASP . 5935 1 161 . GLU . 5935 1 162 . LEU . 5935 1 163 . PRO . 5935 1 164 . TYR . 5935 1 165 . LEU . 5935 1 166 . LYS . 5935 1 167 . CYS . 5935 1 168 . PRO . 5935 1 169 . LEU . 5935 1 170 . HIS . 5935 1 171 . THR . 5935 1 172 . VAL . 5935 1 173 . LEU . 5935 1 174 . LYS . 5935 1 175 . LEU . 5935 1 176 . THR . 5935 1 177 . PRO . 5935 1 178 . VAL . 5935 1 179 . ALA . 5935 1 180 . TYR . 5935 1 181 . GLY . 5935 1 182 . CYS . 5935 1 183 . ARG . 5935 1 184 . VAL . 5935 1 185 . GLU . 5935 1 186 . SER . 5935 1 187 . ILE . 5935 1 188 . TYR . 5935 1 189 . LEU . 5935 1 190 . ASN . 5935 1 191 . VAL . 5935 1 192 . GLU . 5935 1 193 . ALA . 5935 1 194 . VAL . 5935 1 195 . ASN . 5935 1 196 . THR . 5935 1 197 . HIS . 5935 1 198 . ARG . 5935 1 199 . ASP . 5935 1 200 . LYS . 5935 1 201 . PRO . 5935 1 202 . GLU . 5935 1 203 . ASN . 5935 1 204 . VAL . 5935 1 205 . ASP . 5935 1 206 . ILE . 5935 1 207 . THR . 5935 1 208 . ARG . 5935 1 209 . GLU . 5935 1 210 . ALA . 5935 1 211 . GLU . 5935 1 212 . GLU . 5935 1 213 . ALA . 5935 1 214 . LEU . 5935 1 215 . ASP . 5935 1 216 . THR . 5935 1 217 . VAL . 5935 1 218 . PRO . 5935 1 219 . ALA . 5935 1 220 . HIS . 5935 1 221 . TYR . 5935 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 5935 1 . ARG 2 2 5935 1 . SER 3 3 5935 1 . ILE 4 4 5935 1 . TYR 5 5 5935 1 . LEU 6 6 5935 1 . CYS 7 7 5935 1 . ARG 8 8 5935 1 . HIS 9 9 5935 1 . GLY 10 10 5935 1 . GLU 11 11 5935 1 . SER 12 12 5935 1 . GLU 13 13 5935 1 . LEU 14 14 5935 1 . ASN 15 15 5935 1 . LEU 16 16 5935 1 . ARG 17 17 5935 1 . GLY 18 18 5935 1 . ARG 19 19 5935 1 . ILE 20 20 5935 1 . GLY 21 21 5935 1 . GLY 22 22 5935 1 . ASP 23 23 5935 1 . SER 24 24 5935 1 . GLY 25 25 5935 1 . LEU 26 26 5935 1 . SER 27 27 5935 1 . ALA 28 28 5935 1 . ARG 29 29 5935 1 . GLY 30 30 5935 1 . LYS 31 31 5935 1 . GLN 32 32 5935 1 . TYR 33 33 5935 1 . ALA 34 34 5935 1 . TYR 35 35 5935 1 . ALA 36 36 5935 1 . LEU 37 37 5935 1 . ALA 38 38 5935 1 . ASN 39 39 5935 1 . PHE 40 40 5935 1 . ILE 41 41 5935 1 . ARG 42 42 5935 1 . SER 43 43 5935 1 . GLN 44 44 5935 1 . GLY 45 45 5935 1 . ILE 46 46 5935 1 . SER 47 47 5935 1 . SER 48 48 5935 1 . LEU 49 49 5935 1 . LYS 50 50 5935 1 . VAL 51 51 5935 1 . TRP 52 52 5935 1 . THR 53 53 5935 1 . SER 54 54 5935 1 . HIS 55 55 5935 1 . MET 56 56 5935 1 . LYS 57 57 5935 1 . ARG 58 58 5935 1 . THR 59 59 5935 1 . ILE 60 60 5935 1 . GLN 61 61 5935 1 . THR 62 62 5935 1 . ALA 63 63 5935 1 . GLU 64 64 5935 1 . ALA 65 65 5935 1 . LEU 66 66 5935 1 . GLY 67 67 5935 1 . VAL 68 68 5935 1 . PRO 69 69 5935 1 . TYR 70 70 5935 1 . GLU 71 71 5935 1 . GLN 72 72 5935 1 . TRP 73 73 5935 1 . LYS 74 74 5935 1 . ALA 75 75 5935 1 . LEU 76 76 5935 1 . ASN 77 77 5935 1 . GLU 78 78 5935 1 . ILE 79 79 5935 1 . ASP 80 80 5935 1 . ALA 81 81 5935 1 . GLY 82 82 5935 1 . VAL 83 83 5935 1 . CYS 84 84 5935 1 . GLU 85 85 5935 1 . GLU 86 86 5935 1 . MET 87 87 5935 1 . THR 88 88 5935 1 . TYR 89 89 5935 1 . GLU 90 90 5935 1 . GLU 91 91 5935 1 . ILE 92 92 5935 1 . GLN 93 93 5935 1 . GLU 94 94 5935 1 . HIS 95 95 5935 1 . TYR 96 96 5935 1 . PRO 97 97 5935 1 . GLU 98 98 5935 1 . GLU 99 99 5935 1 . PHE 100 100 5935 1 . ALA 101 101 5935 1 . LEU 102 102 5935 1 . ARG 103 103 5935 1 . ASP 104 104 5935 1 . GLN 105 105 5935 1 . ASP 106 106 5935 1 . LYS 107 107 5935 1 . TYR 108 108 5935 1 . ARG 109 109 5935 1 . TYR 110 110 5935 1 . ARG 111 111 5935 1 . TYR 112 112 5935 1 . PRO 113 113 5935 1 . LYS 114 114 5935 1 . GLY 115 115 5935 1 . GLU 116 116 5935 1 . SER 117 117 5935 1 . TYR 118 118 5935 1 . GLU 119 119 5935 1 . ASP 120 120 5935 1 . LEU 121 121 5935 1 . VAL 122 122 5935 1 . GLN 123 123 5935 1 . ARG 124 124 5935 1 . LEU 125 125 5935 1 . GLU 126 126 5935 1 . PRO 127 127 5935 1 . VAL 128 128 5935 1 . ILE 129 129 5935 1 . MET 130 130 5935 1 . GLU 131 131 5935 1 . LEU 132 132 5935 1 . GLU 133 133 5935 1 . ARG 134 134 5935 1 . GLN 135 135 5935 1 . GLU 136 136 5935 1 . ASN 137 137 5935 1 . VAL 138 138 5935 1 . LEU 139 139 5935 1 . VAL 140 140 5935 1 . ILE 141 141 5935 1 . CYS 142 142 5935 1 . HIS 143 143 5935 1 . GLN 144 144 5935 1 . ALA 145 145 5935 1 . VAL 146 146 5935 1 . MET 147 147 5935 1 . ARG 148 148 5935 1 . CYS 149 149 5935 1 . LEU 150 150 5935 1 . LEU 151 151 5935 1 . ALA 152 152 5935 1 . TYR 153 153 5935 1 . PHE 154 154 5935 1 . LEU 155 155 5935 1 . ASP 156 156 5935 1 . LYS 157 157 5935 1 . SER 158 158 5935 1 . SER 159 159 5935 1 . ASP 160 160 5935 1 . GLU 161 161 5935 1 . LEU 162 162 5935 1 . PRO 163 163 5935 1 . TYR 164 164 5935 1 . LEU 165 165 5935 1 . LYS 166 166 5935 1 . CYS 167 167 5935 1 . PRO 168 168 5935 1 . LEU 169 169 5935 1 . HIS 170 170 5935 1 . THR 171 171 5935 1 . VAL 172 172 5935 1 . LEU 173 173 5935 1 . LYS 174 174 5935 1 . LEU 175 175 5935 1 . THR 176 176 5935 1 . PRO 177 177 5935 1 . VAL 178 178 5935 1 . ALA 179 179 5935 1 . TYR 180 180 5935 1 . GLY 181 181 5935 1 . CYS 182 182 5935 1 . ARG 183 183 5935 1 . VAL 184 184 5935 1 . GLU 185 185 5935 1 . SER 186 186 5935 1 . ILE 187 187 5935 1 . TYR 188 188 5935 1 . LEU 189 189 5935 1 . ASN 190 190 5935 1 . VAL 191 191 5935 1 . GLU 192 192 5935 1 . ALA 193 193 5935 1 . VAL 194 194 5935 1 . ASN 195 195 5935 1 . THR 196 196 5935 1 . HIS 197 197 5935 1 . ARG 198 198 5935 1 . ASP 199 199 5935 1 . LYS 200 200 5935 1 . PRO 201 201 5935 1 . GLU 202 202 5935 1 . ASN 203 203 5935 1 . VAL 204 204 5935 1 . ASP 205 205 5935 1 . ILE 206 206 5935 1 . THR 207 207 5935 1 . ARG 208 208 5935 1 . GLU 209 209 5935 1 . ALA 210 210 5935 1 . GLU 211 211 5935 1 . GLU 212 212 5935 1 . ALA 213 213 5935 1 . LEU 214 214 5935 1 . ASP 215 215 5935 1 . THR 216 216 5935 1 . VAL 217 217 5935 1 . PRO 218 218 5935 1 . ALA 219 219 5935 1 . HIS 220 220 5935 1 . TYR 221 221 5935 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 5935 _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 $FBP-2_monomer . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . liver . . . . . . . . . . . . . . . . . 5935 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 5935 _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 $FBP-2_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Expressed in E.Coli BL21(DE3) cells.' . . 5935 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5935 _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 Fructose-2,6-bisphosphatase '[U-95% 13C; U-95 15N]' . . 1 $FBP-2_monomer . . 2.7 . . mM . . . . 5935 1 2 'sodium phosphate' . . . . . . . 100 . . mM . . . . 5935 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5935 _Sample.ID 2 _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 Fructose-2,6-bisphosphatase . . . 1 $FBP-2_monomer . . 1.5 . . mM . . . . 5935 2 2 'sodium phosphate' . . . . . . . 100 . . mM . . . . 5935 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5935 _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 0.2 n/a 5935 1 temperature 298 1 K 5935 1 'ionic strength' 1.2 0.05 M 5935 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5935 _Software.ID 1 _Software.Name NMRPipe _Software.Version 03/2002 _Software.Details ; F.Delaglio, S.Grzesiek, G.W.Vuister, G.Zhu, J.Pfeifer and A.Bax, J.Biomol. NMR 6, 277-293 (1995). ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5935 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5935 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.3 _Software.Details ; B.A.Johnson and R.A.Blevins J.Biomol. NMR 4, 603-614 (1994). ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 5935 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5935 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5935 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5935 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5935 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'A cryo-probe was used on the Bruker Avance 600.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5935 _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_1 Varian INOVA . 800 . . . 5935 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5935 1 3 NMR_spectrometer_3 Bruker Avance . 800 . . . 5935 1 4 NMR_spectrometer_4 Bruker Avance . 600 'A cryo-probe was used on the Bruker Avance 600.' . . 5935 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 5935 _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 'TROSY versions used for all experiments;' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5935 1 2 '2H decoupling used on triply-labeled sample.' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5935 1 stop_ 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 5935 _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 0.0 internal direct 1.0 . . . . . . . . . 5935 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5935 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5935 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 5935 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 ; For residues 219-221 a second set of resonances with slightly different chemical shifts was observed. ; _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 $sample_1 . 5935 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 2 2 ARG CA C 13 55.816 0.05 . 1 . . . . . . . . 5935 1 2 . 1 1 2 2 ARG CB C 13 30.362 0.05 . 1 . . . . . . . . 5935 1 3 . 1 1 2 2 ARG C C 13 175.541 0.05 . 1 . . . . . . . . 5935 1 4 . 1 1 3 3 SER N N 15 114.229 0.05 . 1 . . . . . . . . 5935 1 5 . 1 1 3 3 SER H H 1 8.215 0.02 . 1 . . . . . . . . 5935 1 6 . 1 1 3 3 SER CA C 13 57.816 0.05 . 1 . . . . . . . . 5935 1 7 . 1 1 3 3 SER CB C 13 65.772 0.05 . 1 . . . . . . . . 5935 1 8 . 1 1 3 3 SER C C 13 171.241 0.05 . 1 . . . . . . . . 5935 1 9 . 1 1 4 4 ILE N N 15 121.294 0.05 . 1 . . . . . . . . 5935 1 10 . 1 1 4 4 ILE H H 1 8.326 0.02 . 1 . . . . . . . . 5935 1 11 . 1 1 4 4 ILE CA C 13 58.584 0.05 . 1 . . . . . . . . 5935 1 12 . 1 1 4 4 ILE CB C 13 39.760 0.05 . 1 . . . . . . . . 5935 1 13 . 1 1 4 4 ILE C C 13 174.005 0.05 . 1 . . . . . . . . 5935 1 14 . 1 1 5 5 TYR N N 15 125.148 0.05 . 1 . . . . . . . . 5935 1 15 . 1 1 5 5 TYR H H 1 9.519 0.02 . 1 . . . . . . . . 5935 1 16 . 1 1 5 5 TYR CA C 13 55.611 0.05 . 1 . . . . . . . . 5935 1 17 . 1 1 5 5 TYR CB C 13 40.013 0.05 . 1 . . . . . . . . 5935 1 18 . 1 1 5 5 TYR C C 13 174.340 0.05 . 1 . . . . . . . . 5935 1 19 . 1 1 6 6 LEU N N 15 122.294 0.05 . 1 . . . . . . . . 5935 1 20 . 1 1 6 6 LEU H H 1 9.451 0.02 . 1 . . . . . . . . 5935 1 21 . 1 1 6 6 LEU CA C 13 52.437 0.05 . 1 . . . . . . . . 5935 1 22 . 1 1 6 6 LEU CB C 13 45.054 0.05 . 1 . . . . . . . . 5935 1 23 . 1 1 7 7 CYS CA C 13 60.826 0.05 . 1 . . . . . . . . 5935 1 24 . 1 1 7 7 CYS C C 13 177.528 0.05 . 1 . . . . . . . . 5935 1 25 . 1 1 8 8 ARG N N 15 119.519 0.05 . 1 . . . . . . . . 5935 1 26 . 1 1 8 8 ARG H H 1 8.260 0.02 . 1 . . . . . . . . 5935 1 27 . 1 1 8 8 ARG CA C 13 54.889 0.05 . 1 . . . . . . . . 5935 1 28 . 1 1 8 8 ARG CB C 13 32.817 0.05 . 1 . . . . . . . . 5935 1 29 . 1 1 8 8 ARG C C 13 177.584 0.05 . 1 . . . . . . . . 5935 1 30 . 1 1 9 9 HIS N N 15 111.659 0.05 . 1 . . . . . . . . 5935 1 31 . 1 1 9 9 HIS H H 1 6.450 0.02 . 1 . . . . . . . . 5935 1 32 . 1 1 9 9 HIS CA C 13 53.511 0.05 . 1 . . . . . . . . 5935 1 33 . 1 1 9 9 HIS CB C 13 29.078 0.05 . 1 . . . . . . . . 5935 1 34 . 1 1 9 9 HIS C C 13 174.645 0.05 . 1 . . . . . . . . 5935 1 35 . 1 1 10 10 GLY N N 15 106.721 0.05 . 1 . . . . . . . . 5935 1 36 . 1 1 10 10 GLY H H 1 8.304 0.02 . 1 . . . . . . . . 5935 1 37 . 1 1 10 10 GLY CA C 13 46.290 0.05 . 1 . . . . . . . . 5935 1 38 . 1 1 11 11 GLU CA C 13 58.563 0.05 . 1 . . . . . . . . 5935 1 39 . 1 1 11 11 GLU CB C 13 31.838 0.05 . 1 . . . . . . . . 5935 1 40 . 1 1 11 11 GLU C C 13 173.927 0.05 . 1 . . . . . . . . 5935 1 41 . 1 1 12 12 SER N N 15 123.864 0.05 . 1 . . . . . . . . 5935 1 42 . 1 1 12 12 SER H H 1 9.643 0.02 . 1 . . . . . . . . 5935 1 43 . 1 1 12 12 SER CA C 13 56.183 0.05 . 1 . . . . . . . . 5935 1 44 . 1 1 12 12 SER CB C 13 66.430 0.05 . 1 . . . . . . . . 5935 1 45 . 1 1 12 12 SER C C 13 175.449 0.05 . 1 . . . . . . . . 5935 1 46 . 1 1 13 13 GLU N N 15 119.367 0.05 . 1 . . . . . . . . 5935 1 47 . 1 1 13 13 GLU H H 1 8.800 0.02 . 1 . . . . . . . . 5935 1 48 . 1 1 13 13 GLU CA C 13 59.257 0.05 . 1 . . . . . . . . 5935 1 49 . 1 1 13 13 GLU CB C 13 29.176 0.05 . 1 . . . . . . . . 5935 1 50 . 1 1 13 13 GLU C C 13 179.817 0.05 . 1 . . . . . . . . 5935 1 51 . 1 1 14 14 LEU N N 15 120.096 0.05 . 1 . . . . . . . . 5935 1 52 . 1 1 14 14 LEU H H 1 8.132 0.02 . 1 . . . . . . . . 5935 1 53 . 1 1 14 14 LEU CA C 13 56.535 0.05 . 1 . . . . . . . . 5935 1 54 . 1 1 14 14 LEU CB C 13 40.187 0.05 . 1 . . . . . . . . 5935 1 55 . 1 1 15 15 ASN CA C 13 54.682 0.05 . 1 . . . . . . . . 5935 1 56 . 1 1 16 16 LEU N N 15 125.866 0.05 . 1 . . . . . . . . 5935 1 57 . 1 1 16 16 LEU H H 1 7.791 0.02 . 1 . . . . . . . . 5935 1 58 . 1 1 16 16 LEU CA C 13 57.292 0.05 . 1 . . . . . . . . 5935 1 59 . 1 1 16 16 LEU CB C 13 37.176 0.05 . 1 . . . . . . . . 5935 1 60 . 1 1 16 16 LEU C C 13 178.009 0.05 . 1 . . . . . . . . 5935 1 61 . 1 1 17 17 ARG N N 15 114.850 0.05 . 1 . . . . . . . . 5935 1 62 . 1 1 17 17 ARG H H 1 7.038 0.02 . 1 . . . . . . . . 5935 1 63 . 1 1 17 17 ARG CA C 13 54.831 0.05 . 1 . . . . . . . . 5935 1 64 . 1 1 17 17 ARG CB C 13 30.222 0.05 . 1 . . . . . . . . 5935 1 65 . 1 1 17 17 ARG C C 13 175.837 0.05 . 1 . . . . . . . . 5935 1 66 . 1 1 18 18 GLY N N 15 109.090 0.05 . 1 . . . . . . . . 5935 1 67 . 1 1 18 18 GLY H H 1 7.940 0.02 . 1 . . . . . . . . 5935 1 68 . 1 1 18 18 GLY CA C 13 45.786 0.05 . 1 . . . . . . . . 5935 1 69 . 1 1 18 18 GLY C C 13 173.893 0.05 . 1 . . . . . . . . 5935 1 70 . 1 1 19 19 ARG N N 15 116.798 0.05 . 1 . . . . . . . . 5935 1 71 . 1 1 19 19 ARG H H 1 7.653 0.02 . 1 . . . . . . . . 5935 1 72 . 1 1 19 19 ARG CA C 13 54.640 0.05 . 1 . . . . . . . . 5935 1 73 . 1 1 19 19 ARG CB C 13 31.670 0.05 . 1 . . . . . . . . 5935 1 74 . 1 1 19 19 ARG C C 13 176.681 0.05 . 1 . . . . . . . . 5935 1 75 . 1 1 20 20 ILE CA C 13 60.841 0.05 . 1 . . . . . . . . 5935 1 76 . 1 1 20 20 ILE C C 13 176.370 0.05 . 1 . . . . . . . . 5935 1 77 . 1 1 21 21 GLY N N 15 109.612 0.05 . 1 . . . . . . . . 5935 1 78 . 1 1 21 21 GLY H H 1 8.872 0.02 . 1 . . . . . . . . 5935 1 79 . 1 1 21 21 GLY CA C 13 45.865 0.05 . 1 . . . . . . . . 5935 1 80 . 1 1 21 21 GLY C C 13 176.188 0.05 . 1 . . . . . . . . 5935 1 81 . 1 1 22 22 GLY N N 15 110.375 0.05 . 1 . . . . . . . . 5935 1 82 . 1 1 22 22 GLY H H 1 9.802 0.02 . 1 . . . . . . . . 5935 1 83 . 1 1 22 22 GLY CA C 13 43.966 0.05 . 1 . . . . . . . . 5935 1 84 . 1 1 22 22 GLY C C 13 173.139 0.05 . 1 . . . . . . . . 5935 1 85 . 1 1 23 23 ASP N N 15 119.367 0.05 . 1 . . . . . . . . 5935 1 86 . 1 1 23 23 ASP H H 1 9.175 0.02 . 1 . . . . . . . . 5935 1 87 . 1 1 23 23 ASP CA C 13 52.181 0.05 . 1 . . . . . . . . 5935 1 88 . 1 1 23 23 ASP CB C 13 39.270 0.05 . 1 . . . . . . . . 5935 1 89 . 1 1 24 24 SER CA C 13 57.520 0.05 . 1 . . . . . . . . 5935 1 90 . 1 1 24 24 SER CB C 13 66.209 0.05 . 1 . . . . . . . . 5935 1 91 . 1 1 24 24 SER C C 13 175.358 0.05 . 1 . . . . . . . . 5935 1 92 . 1 1 25 25 GLY N N 15 106.773 0.05 . 1 . . . . . . . . 5935 1 93 . 1 1 25 25 GLY H H 1 8.835 0.02 . 1 . . . . . . . . 5935 1 94 . 1 1 25 25 GLY CA C 13 42.665 0.05 . 1 . . . . . . . . 5935 1 95 . 1 1 25 25 GLY C C 13 173.006 0.05 . 1 . . . . . . . . 5935 1 96 . 1 1 26 26 LEU N N 15 114.871 0.05 . 1 . . . . . . . . 5935 1 97 . 1 1 26 26 LEU H H 1 8.125 0.02 . 1 . . . . . . . . 5935 1 98 . 1 1 26 26 LEU CA C 13 54.823 0.05 . 1 . . . . . . . . 5935 1 99 . 1 1 26 26 LEU CB C 13 42.104 0.05 . 1 . . . . . . . . 5935 1 100 . 1 1 26 26 LEU C C 13 179.141 0.05 . 1 . . . . . . . . 5935 1 101 . 1 1 27 27 SER N N 15 118.594 0.05 . 1 . . . . . . . . 5935 1 102 . 1 1 27 27 SER H H 1 9.701 0.02 . 1 . . . . . . . . 5935 1 103 . 1 1 27 27 SER CA C 13 56.327 0.05 . 1 . . . . . . . . 5935 1 104 . 1 1 27 27 SER CB C 13 65.944 0.05 . 1 . . . . . . . . 5935 1 105 . 1 1 28 28 ALA CA C 13 54.309 0.05 . 1 . . . . . . . . 5935 1 106 . 1 1 29 29 ARG N N 15 119.688 0.05 . 1 . . . . . . . . 5935 1 107 . 1 1 29 29 ARG H H 1 8.116 0.02 . 1 . . . . . . . . 5935 1 108 . 1 1 29 29 ARG CA C 13 57.925 0.05 . 1 . . . . . . . . 5935 1 109 . 1 1 29 29 ARG CB C 13 30.055 0.05 . 1 . . . . . . . . 5935 1 110 . 1 1 29 29 ARG C C 13 175.911 0.05 . 1 . . . . . . . . 5935 1 111 . 1 1 30 30 GLY N N 15 109.614 0.05 . 1 . . . . . . . . 5935 1 112 . 1 1 30 30 GLY H H 1 8.533 0.02 . 1 . . . . . . . . 5935 1 113 . 1 1 30 30 GLY CA C 13 43.473 0.05 . 1 . . . . . . . . 5935 1 114 . 1 1 30 30 GLY C C 13 173.453 0.05 . 1 . . . . . . . . 5935 1 115 . 1 1 31 31 LYS CA C 13 59.883 0.05 . 1 . . . . . . . . 5935 1 116 . 1 1 31 31 LYS C C 13 174.163 0.05 . 1 . . . . . . . . 5935 1 117 . 1 1 32 32 GLN N N 15 127.017 0.05 . 1 . . . . . . . . 5935 1 118 . 1 1 32 32 GLN H H 1 8.646 0.02 . 1 . . . . . . . . 5935 1 119 . 1 1 32 32 GLN CA C 13 58.557 0.05 . 1 . . . . . . . . 5935 1 120 . 1 1 32 32 GLN CB C 13 32.426 0.05 . 1 . . . . . . . . 5935 1 121 . 1 1 32 32 GLN C C 13 180.203 0.05 . 1 . . . . . . . . 5935 1 122 . 1 1 33 33 TYR N N 15 120.750 0.05 . 1 . . . . . . . . 5935 1 123 . 1 1 33 33 TYR H H 1 8.607 0.02 . 1 . . . . . . . . 5935 1 124 . 1 1 33 33 TYR CA C 13 60.107 0.05 . 1 . . . . . . . . 5935 1 125 . 1 1 33 33 TYR CB C 13 35.763 0.05 . 1 . . . . . . . . 5935 1 126 . 1 1 34 34 ALA N N 15 123.927 0.05 . 1 . . . . . . . . 5935 1 127 . 1 1 34 34 ALA H H 1 7.938 0.02 . 1 . . . . . . . . 5935 1 128 . 1 1 34 34 ALA CA C 13 54.831 0.05 . 1 . . . . . . . . 5935 1 129 . 1 1 34 34 ALA CB C 13 17.071 0.05 . 1 . . . . . . . . 5935 1 130 . 1 1 34 34 ALA C C 13 179.213 0.05 . 1 . . . . . . . . 5935 1 131 . 1 1 35 35 TYR N N 15 116.065 0.05 . 1 . . . . . . . . 5935 1 132 . 1 1 35 35 TYR H H 1 7.438 0.02 . 1 . . . . . . . . 5935 1 133 . 1 1 35 35 TYR CA C 13 60.547 0.05 . 1 . . . . . . . . 5935 1 134 . 1 1 35 35 TYR CB C 13 36.854 0.05 . 1 . . . . . . . . 5935 1 135 . 1 1 35 35 TYR C C 13 178.779 0.05 . 1 . . . . . . . . 5935 1 136 . 1 1 36 36 ALA N N 15 124.299 0.05 . 1 . . . . . . . . 5935 1 137 . 1 1 36 36 ALA H H 1 7.913 0.02 . 1 . . . . . . . . 5935 1 138 . 1 1 36 36 ALA CA C 13 54.339 0.05 . 1 . . . . . . . . 5935 1 139 . 1 1 36 36 ALA CB C 13 17.388 0.05 . 1 . . . . . . . . 5935 1 140 . 1 1 36 36 ALA C C 13 179.291 0.05 . 1 . . . . . . . . 5935 1 141 . 1 1 37 37 LEU CA C 13 56.736 0.05 . 1 . . . . . . . . 5935 1 142 . 1 1 37 37 LEU C C 13 177.719 0.05 . 1 . . . . . . . . 5935 1 143 . 1 1 38 38 ALA N N 15 121.882 0.05 . 1 . . . . . . . . 5935 1 144 . 1 1 38 38 ALA H H 1 7.665 0.02 . 1 . . . . . . . . 5935 1 145 . 1 1 38 38 ALA CA C 13 54.855 0.05 . 1 . . . . . . . . 5935 1 146 . 1 1 38 38 ALA CB C 13 17.315 0.05 . 1 . . . . . . . . 5935 1 147 . 1 1 38 38 ALA C C 13 179.797 0.05 . 1 . . . . . . . . 5935 1 148 . 1 1 39 39 ASN N N 15 115.948 0.05 . 1 . . . . . . . . 5935 1 149 . 1 1 39 39 ASN H H 1 7.578 0.02 . 1 . . . . . . . . 5935 1 150 . 1 1 39 39 ASN CA C 13 55.800 0.05 . 1 . . . . . . . . 5935 1 151 . 1 1 39 39 ASN CB C 13 37.457 0.05 . 1 . . . . . . . . 5935 1 152 . 1 1 39 39 ASN C C 13 177.611 0.05 . 1 . . . . . . . . 5935 1 153 . 1 1 40 40 PHE N N 15 122.571 0.05 . 1 . . . . . . . . 5935 1 154 . 1 1 40 40 PHE H H 1 8.417 0.02 . 1 . . . . . . . . 5935 1 155 . 1 1 40 40 PHE CA C 13 60.825 0.05 . 1 . . . . . . . . 5935 1 156 . 1 1 40 40 PHE CB C 13 38.384 0.05 . 1 . . . . . . . . 5935 1 157 . 1 1 40 40 PHE C C 13 178.180 0.05 . 1 . . . . . . . . 5935 1 158 . 1 1 41 41 ILE N N 15 119.981 0.05 . 1 . . . . . . . . 5935 1 159 . 1 1 41 41 ILE H H 1 8.818 0.02 . 1 . . . . . . . . 5935 1 160 . 1 1 41 41 ILE CA C 13 61.853 0.05 . 1 . . . . . . . . 5935 1 161 . 1 1 41 41 ILE CB C 13 34.884 0.05 . 1 . . . . . . . . 5935 1 162 . 1 1 42 42 ARG N N 15 124.617 0.05 . 1 . . . . . . . . 5935 1 163 . 1 1 42 42 ARG H H 1 8.225 0.02 . 1 . . . . . . . . 5935 1 164 . 1 1 42 42 ARG CA C 13 59.318 0.05 . 1 . . . . . . . . 5935 1 165 . 1 1 42 42 ARG CB C 13 28.937 0.05 . 1 . . . . . . . . 5935 1 166 . 1 1 42 42 ARG C C 13 179.033 0.05 . 1 . . . . . . . . 5935 1 167 . 1 1 43 43 SER N N 15 114.229 0.05 . 1 . . . . . . . . 5935 1 168 . 1 1 43 43 SER H H 1 7.731 0.02 . 1 . . . . . . . . 5935 1 169 . 1 1 43 43 SER CA C 13 60.134 0.05 . 1 . . . . . . . . 5935 1 170 . 1 1 43 43 SER CB C 13 62.788 0.05 . 1 . . . . . . . . 5935 1 171 . 1 1 43 43 SER C C 13 175.226 0.05 . 1 . . . . . . . . 5935 1 172 . 1 1 44 44 GLN N N 15 118.083 0.05 . 1 . . . . . . . . 5935 1 173 . 1 1 44 44 GLN H H 1 7.309 0.02 . 1 . . . . . . . . 5935 1 174 . 1 1 44 44 GLN CA C 13 55.320 0.05 . 1 . . . . . . . . 5935 1 175 . 1 1 44 44 GLN CB C 13 28.386 0.05 . 1 . . . . . . . . 5935 1 176 . 1 1 44 44 GLN C C 13 176.938 0.05 . 1 . . . . . . . . 5935 1 177 . 1 1 45 45 GLY N N 15 107.163 0.05 . 1 . . . . . . . . 5935 1 178 . 1 1 45 45 GLY H H 1 7.399 0.02 . 1 . . . . . . . . 5935 1 179 . 1 1 45 45 GLY CA C 13 46.981 0.05 . 1 . . . . . . . . 5935 1 180 . 1 1 45 45 GLY C C 13 174.475 0.05 . 1 . . . . . . . . 5935 1 181 . 1 1 46 46 ILE N N 15 120.652 0.05 . 1 . . . . . . . . 5935 1 182 . 1 1 46 46 ILE H H 1 8.377 0.02 . 1 . . . . . . . . 5935 1 183 . 1 1 46 46 ILE CA C 13 60.362 0.05 . 1 . . . . . . . . 5935 1 184 . 1 1 46 46 ILE CB C 13 37.537 0.05 . 1 . . . . . . . . 5935 1 185 . 1 1 46 46 ILE C C 13 176.592 0.05 . 1 . . . . . . . . 5935 1 186 . 1 1 47 47 SER N N 15 122.701 0.05 . 1 . . . . . . . . 5935 1 187 . 1 1 47 47 SER H H 1 8.557 0.02 . 1 . . . . . . . . 5935 1 188 . 1 1 47 47 SER CA C 13 59.356 0.05 . 1 . . . . . . . . 5935 1 189 . 1 1 47 47 SER CB C 13 62.744 0.05 . 1 . . . . . . . . 5935 1 190 . 1 1 47 47 SER C C 13 174.490 0.05 . 1 . . . . . . . . 5935 1 191 . 1 1 48 48 SER N N 15 116.281 0.05 . 1 . . . . . . . . 5935 1 192 . 1 1 48 48 SER H H 1 8.227 0.02 . 1 . . . . . . . . 5935 1 193 . 1 1 48 48 SER CA C 13 57.047 0.05 . 1 . . . . . . . . 5935 1 194 . 1 1 48 48 SER CB C 13 62.018 0.05 . 1 . . . . . . . . 5935 1 195 . 1 1 48 48 SER C C 13 173.267 0.05 . 1 . . . . . . . . 5935 1 196 . 1 1 49 49 LEU N N 15 123.543 0.05 . 1 . . . . . . . . 5935 1 197 . 1 1 49 49 LEU H H 1 7.884 0.02 . 1 . . . . . . . . 5935 1 198 . 1 1 49 49 LEU CA C 13 54.692 0.05 . 1 . . . . . . . . 5935 1 199 . 1 1 49 49 LEU CB C 13 42.632 0.05 . 1 . . . . . . . . 5935 1 200 . 1 1 49 49 LEU C C 13 176.251 0.05 . 1 . . . . . . . . 5935 1 201 . 1 1 50 50 LYS N N 15 126.089 0.05 . 1 . . . . . . . . 5935 1 202 . 1 1 50 50 LYS H H 1 7.802 0.02 . 1 . . . . . . . . 5935 1 203 . 1 1 50 50 LYS CA C 13 53.860 0.05 . 1 . . . . . . . . 5935 1 204 . 1 1 50 50 LYS CB C 13 33.285 0.05 . 1 . . . . . . . . 5935 1 205 . 1 1 50 50 LYS C C 13 174.830 0.05 . 1 . . . . . . . . 5935 1 206 . 1 1 51 51 VAL N N 15 121.937 0.05 . 1 . . . . . . . . 5935 1 207 . 1 1 51 51 VAL H H 1 8.773 0.02 . 1 . . . . . . . . 5935 1 208 . 1 1 51 51 VAL CA C 13 61.037 0.05 . 1 . . . . . . . . 5935 1 209 . 1 1 51 51 VAL CB C 13 32.477 0.05 . 1 . . . . . . . . 5935 1 210 . 1 1 51 51 VAL C C 13 174.492 0.05 . 1 . . . . . . . . 5935 1 211 . 1 1 52 52 TRP N N 15 129.512 0.05 . 1 . . . . . . . . 5935 1 212 . 1 1 52 52 TRP H H 1 9.531 0.02 . 1 . . . . . . . . 5935 1 213 . 1 1 52 52 TRP CA C 13 52.437 0.05 . 1 . . . . . . . . 5935 1 214 . 1 1 52 52 TRP CB C 13 33.014 0.05 . 1 . . . . . . . . 5935 1 215 . 1 1 52 52 TRP C C 13 174.954 0.05 . 1 . . . . . . . . 5935 1 216 . 1 1 53 53 THR N N 15 111.895 0.05 . 1 . . . . . . . . 5935 1 217 . 1 1 53 53 THR H H 1 9.337 0.02 . 1 . . . . . . . . 5935 1 218 . 1 1 53 53 THR CA C 13 59.958 0.05 . 1 . . . . . . . . 5935 1 219 . 1 1 53 53 THR CB C 13 69.736 0.05 . 1 . . . . . . . . 5935 1 220 . 1 1 53 53 THR C C 13 174.995 0.05 . 1 . . . . . . . . 5935 1 221 . 1 1 54 54 SER N N 15 114.893 0.05 . 1 . . . . . . . . 5935 1 222 . 1 1 54 54 SER H H 1 7.592 0.02 . 1 . . . . . . . . 5935 1 223 . 1 1 54 54 SER CA C 13 56.258 0.05 . 1 . . . . . . . . 5935 1 224 . 1 1 54 54 SER CB C 13 63.980 0.05 . 1 . . . . . . . . 5935 1 225 . 1 1 54 54 SER C C 13 173.743 0.05 . 1 . . . . . . . . 5935 1 226 . 1 1 55 55 HIS N N 15 114.330 0.05 . 1 . . . . . . . . 5935 1 227 . 1 1 55 55 HIS H H 1 8.571 0.02 . 1 . . . . . . . . 5935 1 228 . 1 1 55 55 HIS CA C 13 56.278 0.05 . 1 . . . . . . . . 5935 1 229 . 1 1 55 55 HIS CB C 13 30.727 0.05 . 1 . . . . . . . . 5935 1 230 . 1 1 55 55 HIS C C 13 176.030 0.05 . 1 . . . . . . . . 5935 1 231 . 1 1 56 56 MET CA C 13 54.997 0.05 . 1 . . . . . . . . 5935 1 232 . 1 1 56 56 MET C C 13 178.477 0.05 . 1 . . . . . . . . 5935 1 233 . 1 1 57 57 LYS N N 15 114.696 0.05 . 1 . . . . . . . . 5935 1 234 . 1 1 57 57 LYS H H 1 7.251 0.02 . 1 . . . . . . . . 5935 1 235 . 1 1 57 57 LYS CA C 13 60.366 0.05 . 1 . . . . . . . . 5935 1 236 . 1 1 57 57 LYS CB C 13 30.564 0.05 . 1 . . . . . . . . 5935 1 237 . 1 1 57 57 LYS C C 13 175.376 0.05 . 1 . . . . . . . . 5935 1 238 . 1 1 58 58 ARG N N 15 111.692 0.05 . 1 . . . . . . . . 5935 1 239 . 1 1 58 58 ARG H H 1 7.000 0.02 . 1 . . . . . . . . 5935 1 240 . 1 1 58 58 ARG CA C 13 56.471 0.05 . 1 . . . . . . . . 5935 1 241 . 1 1 58 58 ARG CB C 13 31.384 0.05 . 1 . . . . . . . . 5935 1 242 . 1 1 59 59 THR CA C 13 64.438 0.05 . 1 . . . . . . . . 5935 1 243 . 1 1 59 59 THR C C 13 175.698 0.05 . 1 . . . . . . . . 5935 1 244 . 1 1 60 60 ILE N N 15 128.935 0.05 . 1 . . . . . . . . 5935 1 245 . 1 1 60 60 ILE H H 1 7.332 0.02 . 1 . . . . . . . . 5935 1 246 . 1 1 60 60 ILE CA C 13 65.817 0.05 . 1 . . . . . . . . 5935 1 247 . 1 1 60 60 ILE CB C 13 37.796 0.05 . 1 . . . . . . . . 5935 1 248 . 1 1 60 60 ILE C C 13 177.529 0.05 . 1 . . . . . . . . 5935 1 249 . 1 1 61 61 GLN N N 15 115.282 0.05 . 1 . . . . . . . . 5935 1 250 . 1 1 61 61 GLN H H 1 9.181 0.02 . 1 . . . . . . . . 5935 1 251 . 1 1 61 61 GLN CA C 13 58.183 0.05 . 1 . . . . . . . . 5935 1 252 . 1 1 61 61 GLN CB C 13 28.208 0.05 . 1 . . . . . . . . 5935 1 253 . 1 1 61 61 GLN C C 13 179.373 0.05 . 1 . . . . . . . . 5935 1 254 . 1 1 62 62 THR N N 15 112.205 0.05 . 1 . . . . . . . . 5935 1 255 . 1 1 62 62 THR H H 1 6.852 0.02 . 1 . . . . . . . . 5935 1 256 . 1 1 62 62 THR CA C 13 65.818 0.05 . 1 . . . . . . . . 5935 1 257 . 1 1 62 62 THR CB C 13 68.185 0.05 . 1 . . . . . . . . 5935 1 258 . 1 1 62 62 THR C C 13 173.730 0.05 . 1 . . . . . . . . 5935 1 259 . 1 1 63 63 ALA N N 15 121.878 0.05 . 1 . . . . . . . . 5935 1 260 . 1 1 63 63 ALA H H 1 7.728 0.02 . 1 . . . . . . . . 5935 1 261 . 1 1 63 63 ALA CA C 13 53.755 0.05 . 1 . . . . . . . . 5935 1 262 . 1 1 63 63 ALA CB C 13 17.049 0.05 . 1 . . . . . . . . 5935 1 263 . 1 1 63 63 ALA C C 13 181.025 0.05 . 1 . . . . . . . . 5935 1 264 . 1 1 64 64 GLU N N 15 119.367 0.05 . 1 . . . . . . . . 5935 1 265 . 1 1 64 64 GLU H H 1 8.533 0.02 . 1 . . . . . . . . 5935 1 266 . 1 1 64 64 GLU CA C 13 58.626 0.05 . 1 . . . . . . . . 5935 1 267 . 1 1 64 64 GLU CB C 13 29.051 0.05 . 1 . . . . . . . . 5935 1 268 . 1 1 64 64 GLU C C 13 177.592 0.05 . 1 . . . . . . . . 5935 1 269 . 1 1 65 65 ALA N N 15 117.440 0.05 . 1 . . . . . . . . 5935 1 270 . 1 1 65 65 ALA H H 1 6.717 0.02 . 1 . . . . . . . . 5935 1 271 . 1 1 65 65 ALA CA C 13 52.940 0.05 . 1 . . . . . . . . 5935 1 272 . 1 1 65 65 ALA CB C 13 18.355 0.05 . 1 . . . . . . . . 5935 1 273 . 1 1 65 65 ALA C C 13 178.075 0.05 . 1 . . . . . . . . 5935 1 274 . 1 1 66 66 LEU N N 15 116.798 0.05 . 1 . . . . . . . . 5935 1 275 . 1 1 66 66 LEU H H 1 7.933 0.02 . 1 . . . . . . . . 5935 1 276 . 1 1 66 66 LEU CA C 13 56.496 0.05 . 1 . . . . . . . . 5935 1 277 . 1 1 66 66 LEU CB C 13 41.141 0.05 . 1 . . . . . . . . 5935 1 278 . 1 1 66 66 LEU C C 13 177.687 0.05 . 1 . . . . . . . . 5935 1 279 . 1 1 67 67 GLY N N 15 104.594 0.05 . 1 . . . . . . . . 5935 1 280 . 1 1 67 67 GLY H H 1 7.460 0.02 . 1 . . . . . . . . 5935 1 281 . 1 1 67 67 GLY CA C 13 45.881 0.05 . 1 . . . . . . . . 5935 1 282 . 1 1 67 67 GLY C C 13 173.407 0.05 . 1 . . . . . . . . 5935 1 283 . 1 1 68 68 VAL N N 15 112.302 0.05 . 1 . . . . . . . . 5935 1 284 . 1 1 68 68 VAL H H 1 7.151 0.02 . 1 . . . . . . . . 5935 1 285 . 1 1 68 68 VAL CA C 13 57.625 0.05 . 1 . . . . . . . . 5935 1 286 . 1 1 68 68 VAL CB C 13 32.141 0.05 . 1 . . . . . . . . 5935 1 287 . 1 1 68 68 VAL C C 13 173.502 0.05 . 1 . . . . . . . . 5935 1 288 . 1 1 70 70 TYR CA C 13 54.194 0.05 . 1 . . . . . . . . 5935 1 289 . 1 1 70 70 TYR CB C 13 40.980 0.05 . 1 . . . . . . . . 5935 1 290 . 1 1 70 70 TYR C C 13 174.896 0.05 . 1 . . . . . . . . 5935 1 291 . 1 1 71 71 GLU N N 15 119.463 0.05 . 1 . . . . . . . . 5935 1 292 . 1 1 71 71 GLU H H 1 7.939 0.02 . 1 . . . . . . . . 5935 1 293 . 1 1 71 71 GLU CA C 13 53.362 0.05 . 1 . . . . . . . . 5935 1 294 . 1 1 71 71 GLU CB C 13 33.116 0.05 . 1 . . . . . . . . 5935 1 295 . 1 1 72 72 GLN CA C 13 54.162 0.05 . 1 . . . . . . . . 5935 1 296 . 1 1 72 72 GLN CB C 13 29.517 0.05 . 1 . . . . . . . . 5935 1 297 . 1 1 72 72 GLN C C 13 176.744 0.05 . 1 . . . . . . . . 5935 1 298 . 1 1 73 73 TRP N N 15 123.864 0.05 . 1 . . . . . . . . 5935 1 299 . 1 1 73 73 TRP H H 1 9.351 0.02 . 1 . . . . . . . . 5935 1 300 . 1 1 73 73 TRP CA C 13 54.998 0.05 . 1 . . . . . . . . 5935 1 301 . 1 1 73 73 TRP CB C 13 29.371 0.05 . 1 . . . . . . . . 5935 1 302 . 1 1 73 73 TRP C C 13 176.540 0.05 . 1 . . . . . . . . 5935 1 303 . 1 1 74 74 LYS N N 15 129.002 0.05 . 1 . . . . . . . . 5935 1 304 . 1 1 74 74 LYS H H 1 8.809 0.02 . 1 . . . . . . . . 5935 1 305 . 1 1 74 74 LYS CA C 13 58.574 0.05 . 1 . . . . . . . . 5935 1 306 . 1 1 74 74 LYS CB C 13 30.691 0.05 . 1 . . . . . . . . 5935 1 307 . 1 1 74 74 LYS C C 13 179.324 0.05 . 1 . . . . . . . . 5935 1 308 . 1 1 75 75 ALA N N 15 119.367 0.05 . 1 . . . . . . . . 5935 1 309 . 1 1 75 75 ALA H H 1 8.777 0.02 . 1 . . . . . . . . 5935 1 310 . 1 1 75 75 ALA CA C 13 53.907 0.05 . 1 . . . . . . . . 5935 1 311 . 1 1 75 75 ALA CB C 13 18.373 0.05 . 1 . . . . . . . . 5935 1 312 . 1 1 75 75 ALA C C 13 176.687 0.05 . 1 . . . . . . . . 5935 1 313 . 1 1 76 76 LEU N N 15 109.090 0.05 . 1 . . . . . . . . 5935 1 314 . 1 1 76 76 LEU H H 1 6.934 0.02 . 1 . . . . . . . . 5935 1 315 . 1 1 76 76 LEU CA C 13 53.864 0.05 . 1 . . . . . . . . 5935 1 316 . 1 1 76 76 LEU CB C 13 41.645 0.05 . 1 . . . . . . . . 5935 1 317 . 1 1 76 76 LEU C C 13 176.659 0.05 . 1 . . . . . . . . 5935 1 318 . 1 1 77 77 ASN N N 15 117.588 0.05 . 1 . . . . . . . . 5935 1 319 . 1 1 77 77 ASN H H 1 7.582 0.02 . 1 . . . . . . . . 5935 1 320 . 1 1 77 77 ASN CA C 13 53.715 0.05 . 1 . . . . . . . . 5935 1 321 . 1 1 77 77 ASN CB C 13 37.490 0.05 . 1 . . . . . . . . 5935 1 322 . 1 1 77 77 ASN C C 13 175.398 0.05 . 1 . . . . . . . . 5935 1 323 . 1 1 78 78 GLU N N 15 119.340 0.05 . 1 . . . . . . . . 5935 1 324 . 1 1 78 78 GLU H H 1 5.719 0.02 . 1 . . . . . . . . 5935 1 325 . 1 1 78 78 GLU CA C 13 52.864 0.05 . 1 . . . . . . . . 5935 1 326 . 1 1 78 78 GLU CB C 13 27.288 0.05 . 1 . . . . . . . . 5935 1 327 . 1 1 78 78 GLU C C 13 174.202 0.05 . 1 . . . . . . . . 5935 1 328 . 1 1 79 79 ILE N N 15 124.786 0.05 . 1 . . . . . . . . 5935 1 329 . 1 1 79 79 ILE H H 1 8.335 0.02 . 1 . . . . . . . . 5935 1 330 . 1 1 79 79 ILE CA C 13 61.519 0.05 . 1 . . . . . . . . 5935 1 331 . 1 1 79 79 ILE CB C 13 38.725 0.05 . 1 . . . . . . . . 5935 1 332 . 1 1 79 79 ILE C C 13 174.938 0.05 . 1 . . . . . . . . 5935 1 333 . 1 1 80 80 ASP N N 15 128.038 0.05 . 1 . . . . . . . . 5935 1 334 . 1 1 80 80 ASP H H 1 7.913 0.02 . 1 . . . . . . . . 5935 1 335 . 1 1 80 80 ASP CA C 13 55.679 0.05 . 1 . . . . . . . . 5935 1 336 . 1 1 80 80 ASP CB C 13 37.393 0.05 . 1 . . . . . . . . 5935 1 337 . 1 1 80 80 ASP C C 13 180.909 0.05 . 1 . . . . . . . . 5935 1 338 . 1 1 81 81 ALA CA C 13 50.644 0.05 . 1 . . . . . . . . 5935 1 339 . 1 1 81 81 ALA C C 13 177.436 0.05 . 1 . . . . . . . . 5935 1 340 . 1 1 82 82 GLY N N 15 110.441 0.05 . 1 . . . . . . . . 5935 1 341 . 1 1 82 82 GLY H H 1 9.122 0.02 . 1 . . . . . . . . 5935 1 342 . 1 1 82 82 GLY CA C 13 45.778 0.05 . 1 . . . . . . . . 5935 1 343 . 1 1 82 82 GLY C C 13 178.357 0.05 . 1 . . . . . . . . 5935 1 344 . 1 1 83 83 VAL N N 15 120.886 0.05 . 1 . . . . . . . . 5935 1 345 . 1 1 83 83 VAL H H 1 8.352 0.02 . 1 . . . . . . . . 5935 1 346 . 1 1 83 83 VAL CA C 13 62.965 0.05 . 1 . . . . . . . . 5935 1 347 . 1 1 83 83 VAL CB C 13 31.355 0.05 . 1 . . . . . . . . 5935 1 348 . 1 1 83 83 VAL C C 13 174.700 0.05 . 1 . . . . . . . . 5935 1 349 . 1 1 84 84 CYS N N 15 116.156 0.05 . 1 . . . . . . . . 5935 1 350 . 1 1 84 84 CYS H H 1 7.678 0.02 . 1 . . . . . . . . 5935 1 351 . 1 1 84 84 CYS CA C 13 54.798 0.05 . 1 . . . . . . . . 5935 1 352 . 1 1 84 84 CYS CB C 13 40.832 0.05 . 1 . . . . . . . . 5935 1 353 . 1 1 84 84 CYS C C 13 174.066 0.05 . 1 . . . . . . . . 5935 1 354 . 1 1 85 85 GLU N N 15 121.294 0.05 . 1 . . . . . . . . 5935 1 355 . 1 1 85 85 GLU H H 1 9.315 0.02 . 1 . . . . . . . . 5935 1 356 . 1 1 85 85 GLU CA C 13 54.115 0.05 . 1 . . . . . . . . 5935 1 357 . 1 1 85 85 GLU CB C 13 32.223 0.05 . 1 . . . . . . . . 5935 1 358 . 1 1 85 85 GLU C C 13 174.755 0.05 . 1 . . . . . . . . 5935 1 359 . 1 1 86 86 GLU N N 15 122.150 0.05 . 1 . . . . . . . . 5935 1 360 . 1 1 86 86 GLU H H 1 8.534 0.02 . 1 . . . . . . . . 5935 1 361 . 1 1 86 86 GLU CA C 13 54.034 0.05 . 1 . . . . . . . . 5935 1 362 . 1 1 86 86 GLU CB C 13 29.479 0.05 . 1 . . . . . . . . 5935 1 363 . 1 1 86 86 GLU C C 13 176.823 0.05 . 1 . . . . . . . . 5935 1 364 . 1 1 87 87 MET CA C 13 54.104 0.05 . 1 . . . . . . . . 5935 1 365 . 1 1 87 87 MET C C 13 178.203 0.05 . 1 . . . . . . . . 5935 1 366 . 1 1 88 88 THR N N 15 120.304 0.05 . 1 . . . . . . . . 5935 1 367 . 1 1 88 88 THR H H 1 7.164 0.02 . 1 . . . . . . . . 5935 1 368 . 1 1 88 88 THR CA C 13 56.791 0.05 . 1 . . . . . . . . 5935 1 369 . 1 1 88 88 THR C C 13 178.708 0.05 . 1 . . . . . . . . 5935 1 370 . 1 1 91 91 GLU CA C 13 55.731 0.05 . 1 . . . . . . . . 5935 1 371 . 1 1 91 91 GLU CB C 13 29.783 0.05 . 1 . . . . . . . . 5935 1 372 . 1 1 91 91 GLU C C 13 179.377 0.05 . 1 . . . . . . . . 5935 1 373 . 1 1 92 92 ILE N N 15 121.888 0.05 . 1 . . . . . . . . 5935 1 374 . 1 1 92 92 ILE H H 1 8.399 0.02 . 1 . . . . . . . . 5935 1 375 . 1 1 92 92 ILE CA C 13 66.587 0.05 . 1 . . . . . . . . 5935 1 376 . 1 1 92 92 ILE CB C 13 29.228 0.05 . 1 . . . . . . . . 5935 1 377 . 1 1 92 92 ILE C C 13 177.544 0.05 . 1 . . . . . . . . 5935 1 378 . 1 1 93 93 GLN N N 15 118.107 0.05 . 1 . . . . . . . . 5935 1 379 . 1 1 93 93 GLN H H 1 7.864 0.02 . 1 . . . . . . . . 5935 1 380 . 1 1 93 93 GLN CA C 13 56.791 0.05 . 1 . . . . . . . . 5935 1 381 . 1 1 93 93 GLN C C 13 176.753 0.05 . 1 . . . . . . . . 5935 1 382 . 1 1 94 94 GLU CA C 13 61.438 0.05 . 1 . . . . . . . . 5935 1 383 . 1 1 94 94 GLU CB C 13 33.402 0.05 . 1 . . . . . . . . 5935 1 384 . 1 1 94 94 GLU C C 13 173.330 0.05 . 1 . . . . . . . . 5935 1 385 . 1 1 95 95 HIS N N 15 121.409 0.05 . 1 . . . . . . . . 5935 1 386 . 1 1 95 95 HIS H H 1 7.893 0.02 . 1 . . . . . . . . 5935 1 387 . 1 1 95 95 HIS CA C 13 58.726 0.05 . 1 . . . . . . . . 5935 1 388 . 1 1 95 95 HIS CB C 13 33.637 0.05 . 1 . . . . . . . . 5935 1 389 . 1 1 95 95 HIS C C 13 174.615 0.05 . 1 . . . . . . . . 5935 1 390 . 1 1 97 97 PRO CA C 13 63.560 0.05 . 1 . . . . . . . . 5935 1 391 . 1 1 97 97 PRO CB C 13 29.000 0.05 . 1 . . . . . . . . 5935 1 392 . 1 1 97 97 PRO C C 13 177.463 0.05 . 1 . . . . . . . . 5935 1 393 . 1 1 98 98 GLU N N 15 117.459 0.05 . 1 . . . . . . . . 5935 1 394 . 1 1 98 98 GLU H H 1 8.554 0.02 . 1 . . . . . . . . 5935 1 395 . 1 1 98 98 GLU CA C 13 57.816 0.05 . 1 . . . . . . . . 5935 1 396 . 1 1 98 98 GLU CB C 13 29.522 0.05 . 1 . . . . . . . . 5935 1 397 . 1 1 98 98 GLU C C 13 175.733 0.05 . 1 . . . . . . . . 5935 1 398 . 1 1 113 113 PRO CA C 13 61.914 0.05 . 1 . . . . . . . . 5935 1 399 . 1 1 113 113 PRO CB C 13 36.191 0.05 . 1 . . . . . . . . 5935 1 400 . 1 1 113 113 PRO C C 13 179.223 0.05 . 1 . . . . . . . . 5935 1 401 . 1 1 114 114 LYS N N 15 120.730 0.05 . 1 . . . . . . . . 5935 1 402 . 1 1 114 114 LYS H H 1 7.815 0.02 . 1 . . . . . . . . 5935 1 403 . 1 1 114 114 LYS CA C 13 59.254 0.05 . 1 . . . . . . . . 5935 1 404 . 1 1 114 114 LYS CB C 13 29.103 0.05 . 1 . . . . . . . . 5935 1 405 . 1 1 114 114 LYS C C 13 178.966 0.05 . 1 . . . . . . . . 5935 1 406 . 1 1 115 115 GLY N N 15 111.368 0.05 . 1 . . . . . . . . 5935 1 407 . 1 1 115 115 GLY H H 1 8.679 0.02 . 1 . . . . . . . . 5935 1 408 . 1 1 115 115 GLY CA C 13 48.324 0.05 . 1 . . . . . . . . 5935 1 409 . 1 1 115 115 GLY C C 13 176.754 0.05 . 1 . . . . . . . . 5935 1 410 . 1 1 116 116 GLU N N 15 121.678 0.05 . 1 . . . . . . . . 5935 1 411 . 1 1 116 116 GLU H H 1 8.362 0.02 . 1 . . . . . . . . 5935 1 412 . 1 1 116 116 GLU CA C 13 59.609 0.05 . 1 . . . . . . . . 5935 1 413 . 1 1 117 117 SER CA C 13 60.522 0.05 . 1 . . . . . . . . 5935 1 414 . 1 1 117 117 SER C C 13 179.564 0.05 . 1 . . . . . . . . 5935 1 415 . 1 1 118 118 TYR N N 15 120.780 0.05 . 1 . . . . . . . . 5935 1 416 . 1 1 118 118 TYR H H 1 7.970 0.02 . 1 . . . . . . . . 5935 1 417 . 1 1 118 118 TYR CA C 13 58.040 0.05 . 1 . . . . . . . . 5935 1 418 . 1 1 118 118 TYR CB C 13 28.945 0.05 . 1 . . . . . . . . 5935 1 419 . 1 1 118 118 TYR C C 13 178.979 0.05 . 1 . . . . . . . . 5935 1 420 . 1 1 119 119 GLU N N 15 118.107 0.05 . 1 . . . . . . . . 5935 1 421 . 1 1 119 119 GLU H H 1 7.361 0.02 . 1 . . . . . . . . 5935 1 422 . 1 1 119 119 GLU CA C 13 58.111 0.05 . 1 . . . . . . . . 5935 1 423 . 1 1 119 119 GLU C C 13 180.064 0.05 . 1 . . . . . . . . 5935 1 424 . 1 1 120 120 ASP N N 15 123.221 0.05 . 1 . . . . . . . . 5935 1 425 . 1 1 120 120 ASP H H 1 9.043 0.02 . 1 . . . . . . . . 5935 1 426 . 1 1 120 120 ASP CA C 13 56.739 0.05 . 1 . . . . . . . . 5935 1 427 . 1 1 120 120 ASP C C 13 179.373 0.05 . 1 . . . . . . . . 5935 1 428 . 1 1 121 121 LEU N N 15 125.231 0.05 . 1 . . . . . . . . 5935 1 429 . 1 1 121 121 LEU H H 1 7.977 0.02 . 1 . . . . . . . . 5935 1 430 . 1 1 121 121 LEU CA C 13 57.258 0.05 . 1 . . . . . . . . 5935 1 431 . 1 1 121 121 LEU CB C 13 40.813 0.05 . 1 . . . . . . . . 5935 1 432 . 1 1 121 121 LEU C C 13 177.536 0.05 . 1 . . . . . . . . 5935 1 433 . 1 1 122 122 VAL N N 15 119.367 0.05 . 1 . . . . . . . . 5935 1 434 . 1 1 122 122 VAL H H 1 8.640 0.02 . 1 . . . . . . . . 5935 1 435 . 1 1 122 122 VAL CA C 13 67.036 0.05 . 1 . . . . . . . . 5935 1 436 . 1 1 122 122 VAL CB C 13 31.193 0.05 . 1 . . . . . . . . 5935 1 437 . 1 1 122 122 VAL C C 13 179.350 0.05 . 1 . . . . . . . . 5935 1 438 . 1 1 123 123 GLN N N 15 116.156 0.05 . 1 . . . . . . . . 5935 1 439 . 1 1 123 123 GLN H H 1 7.266 0.02 . 1 . . . . . . . . 5935 1 440 . 1 1 123 123 GLN CA C 13 58.442 0.05 . 1 . . . . . . . . 5935 1 441 . 1 1 123 123 GLN CB C 13 27.517 0.05 . 1 . . . . . . . . 5935 1 442 . 1 1 123 123 GLN C C 13 179.522 0.05 . 1 . . . . . . . . 5935 1 443 . 1 1 124 124 ARG CA C 13 57.236 0.05 . 1 . . . . . . . . 5935 1 444 . 1 1 124 124 ARG CB C 13 29.075 0.05 . 1 . . . . . . . . 5935 1 445 . 1 1 124 124 ARG C C 13 176.941 0.05 . 1 . . . . . . . . 5935 1 446 . 1 1 125 125 LEU N N 15 116.435 0.05 . 1 . . . . . . . . 5935 1 447 . 1 1 125 125 LEU H H 1 7.930 0.02 . 1 . . . . . . . . 5935 1 448 . 1 1 125 125 LEU CA C 13 54.459 0.05 . 1 . . . . . . . . 5935 1 449 . 1 1 125 125 LEU CB C 13 41.638 0.05 . 1 . . . . . . . . 5935 1 450 . 1 1 125 125 LEU C C 13 177.943 0.05 . 1 . . . . . . . . 5935 1 451 . 1 1 126 126 GLU N N 15 122.579 0.05 . 1 . . . . . . . . 5935 1 452 . 1 1 126 126 GLU H H 1 7.433 0.02 . 1 . . . . . . . . 5935 1 453 . 1 1 126 126 GLU CA C 13 61.676 0.05 . 1 . . . . . . . . 5935 1 454 . 1 1 126 126 GLU CB C 13 26.542 0.05 . 1 . . . . . . . . 5935 1 455 . 1 1 126 126 GLU C C 13 175.039 0.05 . 1 . . . . . . . . 5935 1 456 . 1 1 127 127 PRO CA C 13 65.407 0.05 . 1 . . . . . . . . 5935 1 457 . 1 1 127 127 PRO CB C 13 30.788 0.05 . 1 . . . . . . . . 5935 1 458 . 1 1 127 127 PRO C C 13 179.808 0.05 . 1 . . . . . . . . 5935 1 459 . 1 1 128 128 VAL N N 15 117.440 0.05 . 1 . . . . . . . . 5935 1 460 . 1 1 128 128 VAL H H 1 7.010 0.02 . 1 . . . . . . . . 5935 1 461 . 1 1 128 128 VAL CA C 13 64.328 0.05 . 1 . . . . . . . . 5935 1 462 . 1 1 128 128 VAL CB C 13 30.192 0.05 . 1 . . . . . . . . 5935 1 463 . 1 1 128 128 VAL C C 13 177.553 0.05 . 1 . . . . . . . . 5935 1 464 . 1 1 129 129 ILE N N 15 120.780 0.05 . 1 . . . . . . . . 5935 1 465 . 1 1 129 129 ILE H H 1 7.811 0.02 . 1 . . . . . . . . 5935 1 466 . 1 1 129 129 ILE CA C 13 64.948 0.05 . 1 . . . . . . . . 5935 1 467 . 1 1 129 129 ILE CB C 13 36.115 0.05 . 1 . . . . . . . . 5935 1 468 . 1 1 129 129 ILE C C 13 177.592 0.05 . 1 . . . . . . . . 5935 1 469 . 1 1 130 130 MET N N 15 115.513 0.05 . 1 . . . . . . . . 5935 1 470 . 1 1 130 130 MET H H 1 7.807 0.02 . 1 . . . . . . . . 5935 1 471 . 1 1 130 130 MET CA C 13 58.184 0.05 . 1 . . . . . . . . 5935 1 472 . 1 1 130 130 MET CB C 13 31.660 0.05 . 1 . . . . . . . . 5935 1 473 . 1 1 130 130 MET C C 13 179.018 0.05 . 1 . . . . . . . . 5935 1 474 . 1 1 131 131 GLU CA C 13 58.124 0.05 . 1 . . . . . . . . 5935 1 475 . 1 1 131 131 GLU CB C 13 29.320 0.05 . 1 . . . . . . . . 5935 1 476 . 1 1 132 132 LEU N N 15 123.221 0.05 . 1 . . . . . . . . 5935 1 477 . 1 1 132 132 LEU H H 1 9.041 0.02 . 1 . . . . . . . . 5935 1 478 . 1 1 132 132 LEU CA C 13 58.020 0.05 . 1 . . . . . . . . 5935 1 479 . 1 1 132 132 LEU CB C 13 41.301 0.05 . 1 . . . . . . . . 5935 1 480 . 1 1 132 132 LEU C C 13 179.275 0.05 . 1 . . . . . . . . 5935 1 481 . 1 1 133 133 GLU N N 15 114.229 0.05 . 1 . . . . . . . . 5935 1 482 . 1 1 133 133 GLU H H 1 7.848 0.02 . 1 . . . . . . . . 5935 1 483 . 1 1 133 133 GLU CA C 13 58.194 0.05 . 1 . . . . . . . . 5935 1 484 . 1 1 133 133 GLU CB C 13 28.980 0.05 . 1 . . . . . . . . 5935 1 485 . 1 1 133 133 GLU C C 13 177.322 0.05 . 1 . . . . . . . . 5935 1 486 . 1 1 134 134 ARG N N 15 116.156 0.05 . 1 . . . . . . . . 5935 1 487 . 1 1 134 134 ARG H H 1 7.506 0.02 . 1 . . . . . . . . 5935 1 488 . 1 1 134 134 ARG CA C 13 55.621 0.05 . 1 . . . . . . . . 5935 1 489 . 1 1 134 134 ARG CB C 13 30.127 0.05 . 1 . . . . . . . . 5935 1 490 . 1 1 134 134 ARG C C 13 176.574 0.05 . 1 . . . . . . . . 5935 1 491 . 1 1 135 135 GLN N N 15 118.083 0.05 . 1 . . . . . . . . 5935 1 492 . 1 1 135 135 GLN H H 1 7.409 0.02 . 1 . . . . . . . . 5935 1 493 . 1 1 135 135 GLN CA C 13 53.366 0.05 . 1 . . . . . . . . 5935 1 494 . 1 1 135 135 GLN CB C 13 28.914 0.05 . 1 . . . . . . . . 5935 1 495 . 1 1 135 135 GLN C C 13 174.710 0.05 . 1 . . . . . . . . 5935 1 496 . 1 1 136 136 GLU N N 15 119.367 0.05 . 1 . . . . . . . . 5935 1 497 . 1 1 136 136 GLU H H 1 8.298 0.02 . 1 . . . . . . . . 5935 1 498 . 1 1 136 136 GLU CA C 13 57.088 0.05 . 1 . . . . . . . . 5935 1 499 . 1 1 136 136 GLU CB C 13 32.181 0.05 . 1 . . . . . . . . 5935 1 500 . 1 1 136 136 GLU C C 13 175.374 0.05 . 1 . . . . . . . . 5935 1 501 . 1 1 137 137 ASN N N 15 116.156 0.05 . 1 . . . . . . . . 5935 1 502 . 1 1 137 137 ASN H H 1 8.048 0.02 . 1 . . . . . . . . 5935 1 503 . 1 1 137 137 ASN CA C 13 52.840 0.05 . 1 . . . . . . . . 5935 1 504 . 1 1 137 137 ASN CB C 13 40.733 0.05 . 1 . . . . . . . . 5935 1 505 . 1 1 137 137 ASN C C 13 174.430 0.05 . 1 . . . . . . . . 5935 1 506 . 1 1 138 138 VAL N N 15 122.258 0.05 . 1 . . . . . . . . 5935 1 507 . 1 1 138 138 VAL H H 1 7.743 0.02 . 1 . . . . . . . . 5935 1 508 . 1 1 138 138 VAL CA C 13 59.287 0.05 . 1 . . . . . . . . 5935 1 509 . 1 1 138 138 VAL CB C 13 34.857 0.05 . 1 . . . . . . . . 5935 1 510 . 1 1 138 138 VAL C C 13 172.075 0.05 . 1 . . . . . . . . 5935 1 511 . 1 1 139 139 LEU N N 15 129.644 0.05 . 1 . . . . . . . . 5935 1 512 . 1 1 139 139 LEU H H 1 9.061 0.02 . 1 . . . . . . . . 5935 1 513 . 1 1 139 139 LEU CA C 13 52.702 0.05 . 1 . . . . . . . . 5935 1 514 . 1 1 139 139 LEU CB C 13 43.262 0.05 . 1 . . . . . . . . 5935 1 515 . 1 1 139 139 LEU C C 13 172.921 0.05 . 1 . . . . . . . . 5935 1 516 . 1 1 140 140 VAL N N 15 127.711 0.05 . 1 . . . . . . . . 5935 1 517 . 1 1 140 140 VAL H H 1 9.233 0.02 . 1 . . . . . . . . 5935 1 518 . 1 1 140 140 VAL CA C 13 60.700 0.05 . 1 . . . . . . . . 5935 1 519 . 1 1 140 140 VAL CB C 13 31.681 0.05 . 1 . . . . . . . . 5935 1 520 . 1 1 140 140 VAL CG2 C 13 26.014 0.05 . 2 . . . . . . . . 5935 1 521 . 1 1 140 140 VAL CG1 C 13 16.679 0.05 . 2 . . . . . . . . 5935 1 522 . 1 1 140 140 VAL C C 13 174.245 0.05 . 1 . . . . . . . . 5935 1 523 . 1 1 141 141 ILE N N 15 123.299 0.05 . 1 . . . . . . . . 5935 1 524 . 1 1 141 141 ILE H H 1 7.760 0.02 . 1 . . . . . . . . 5935 1 525 . 1 1 141 141 ILE CA C 13 62.981 0.05 . 1 . . . . . . . . 5935 1 526 . 1 1 141 141 ILE C C 13 175.736 0.05 . 1 . . . . . . . . 5935 1 527 . 1 1 142 142 CYS N N 15 130.287 0.05 . 1 . . . . . . . . 5935 1 528 . 1 1 142 142 CYS H H 1 7.910 0.02 . 1 . . . . . . . . 5935 1 529 . 1 1 142 142 CYS CA C 13 53.267 0.05 . 1 . . . . . . . . 5935 1 530 . 1 1 142 142 CYS C C 13 182.725 0.05 . 1 . . . . . . . . 5935 1 531 . 1 1 143 143 HIS CA C 13 57.668 0.05 . 1 . . . . . . . . 5935 1 532 . 1 1 143 143 HIS CB C 13 30.943 0.05 . 1 . . . . . . . . 5935 1 533 . 1 1 143 143 HIS C C 13 173.349 0.05 . 1 . . . . . . . . 5935 1 534 . 1 1 144 144 GLN N N 15 118.409 0.05 . 1 . . . . . . . . 5935 1 535 . 1 1 144 144 GLN H H 1 6.944 0.02 . 1 . . . . . . . . 5935 1 536 . 1 1 144 144 GLN CA C 13 58.687 0.05 . 1 . . . . . . . . 5935 1 537 . 1 1 144 144 GLN CB C 13 30.473 0.05 . 1 . . . . . . . . 5935 1 538 . 1 1 144 144 GLN C C 13 176.751 0.05 . 1 . . . . . . . . 5935 1 539 . 1 1 145 145 ALA N N 15 115.047 0.05 . 1 . . . . . . . . 5935 1 540 . 1 1 145 145 ALA H H 1 8.348 0.02 . 1 . . . . . . . . 5935 1 541 . 1 1 145 145 ALA CA C 13 58.551 0.05 . 1 . . . . . . . . 5935 1 542 . 1 1 145 145 ALA CB C 13 25.947 0.05 . 1 . . . . . . . . 5935 1 543 . 1 1 145 145 ALA C C 13 175.104 0.05 . 1 . . . . . . . . 5935 1 544 . 1 1 146 146 VAL N N 15 118.403 0.05 . 1 . . . . . . . . 5935 1 545 . 1 1 146 146 VAL H H 1 7.555 0.02 . 1 . . . . . . . . 5935 1 546 . 1 1 146 146 VAL CA C 13 56.938 0.05 . 1 . . . . . . . . 5935 1 547 . 1 1 146 146 VAL CB C 13 33.573 0.05 . 1 . . . . . . . . 5935 1 548 . 1 1 146 146 VAL C C 13 176.566 0.05 . 1 . . . . . . . . 5935 1 549 . 1 1 147 147 MET N N 15 115.820 0.05 . 1 . . . . . . . . 5935 1 550 . 1 1 147 147 MET H H 1 7.355 0.02 . 1 . . . . . . . . 5935 1 551 . 1 1 147 147 MET CA C 13 58.072 0.05 . 1 . . . . . . . . 5935 1 552 . 1 1 147 147 MET CB C 13 28.961 0.05 . 1 . . . . . . . . 5935 1 553 . 1 1 147 147 MET C C 13 178.177 0.05 . 1 . . . . . . . . 5935 1 554 . 1 1 148 148 ARG N N 15 118.261 0.05 . 1 . . . . . . . . 5935 1 555 . 1 1 148 148 ARG H H 1 7.304 0.02 . 1 . . . . . . . . 5935 1 556 . 1 1 148 148 ARG CA C 13 61.262 0.05 . 1 . . . . . . . . 5935 1 557 . 1 1 148 148 ARG C C 13 176.733 0.05 . 1 . . . . . . . . 5935 1 558 . 1 1 149 149 CYS N N 15 125.378 0.05 . 1 . . . . . . . . 5935 1 559 . 1 1 149 149 CYS H H 1 7.930 0.02 . 1 . . . . . . . . 5935 1 560 . 1 1 149 149 CYS CA C 13 57.191 0.05 . 1 . . . . . . . . 5935 1 561 . 1 1 149 149 CYS CB C 13 30.123 0.05 . 1 . . . . . . . . 5935 1 562 . 1 1 150 150 LEU CA C 13 54.799 0.05 . 1 . . . . . . . . 5935 1 563 . 1 1 150 150 LEU CB C 13 41.921 0.05 . 1 . . . . . . . . 5935 1 564 . 1 1 150 150 LEU CG C 13 24.196 0.05 . 1 . . . . . . . . 5935 1 565 . 1 1 150 150 LEU CD1 C 13 22.021 0.05 . 2 . . . . . . . . 5935 1 566 . 1 1 150 150 LEU C C 13 179.587 0.05 . 1 . . . . . . . . 5935 1 567 . 1 1 151 151 LEU N N 15 125.757 0.05 . 1 . . . . . . . . 5935 1 568 . 1 1 151 151 LEU H H 1 7.806 0.02 . 1 . . . . . . . . 5935 1 569 . 1 1 151 151 LEU CA C 13 55.505 0.05 . 1 . . . . . . . . 5935 1 570 . 1 1 151 151 LEU CB C 13 41.571 0.05 . 1 . . . . . . . . 5935 1 571 . 1 1 151 151 LEU C C 13 180.849 0.05 . 1 . . . . . . . . 5935 1 572 . 1 1 152 152 ALA CA C 13 51.717 0.05 . 1 . . . . . . . . 5935 1 573 . 1 1 152 152 ALA CB C 13 18.384 0.05 . 1 . . . . . . . . 5935 1 574 . 1 1 152 152 ALA C C 13 177.538 0.05 . 1 . . . . . . . . 5935 1 575 . 1 1 153 153 TYR N N 15 121.475 0.05 . 1 . . . . . . . . 5935 1 576 . 1 1 153 153 TYR H H 1 8.146 0.02 . 1 . . . . . . . . 5935 1 577 . 1 1 153 153 TYR CA C 13 54.627 0.05 . 1 . . . . . . . . 5935 1 578 . 1 1 153 153 TYR CB C 13 41.276 0.05 . 1 . . . . . . . . 5935 1 579 . 1 1 153 153 TYR C C 13 177.193 0.05 . 1 . . . . . . . . 5935 1 580 . 1 1 154 154 PHE CA C 13 61.402 0.05 . 1 . . . . . . . . 5935 1 581 . 1 1 154 154 PHE CB C 13 38.754 0.05 . 1 . . . . . . . . 5935 1 582 . 1 1 154 154 PHE C C 13 173.329 0.05 . 1 . . . . . . . . 5935 1 583 . 1 1 155 155 LEU N N 15 131.027 0.05 . 1 . . . . . . . . 5935 1 584 . 1 1 155 155 LEU H H 1 9.083 0.02 . 1 . . . . . . . . 5935 1 585 . 1 1 155 155 LEU CA C 13 53.694 0.05 . 1 . . . . . . . . 5935 1 586 . 1 1 155 155 LEU CB C 13 40.752 0.05 . 1 . . . . . . . . 5935 1 587 . 1 1 155 155 LEU C C 13 175.650 0.05 . 1 . . . . . . . . 5935 1 588 . 1 1 156 156 ASP N N 15 119.673 0.05 . 1 . . . . . . . . 5935 1 589 . 1 1 156 156 ASP H H 1 7.433 0.02 . 1 . . . . . . . . 5935 1 590 . 1 1 156 156 ASP CA C 13 54.875 0.05 . 1 . . . . . . . . 5935 1 591 . 1 1 156 156 ASP CB C 13 38.526 0.05 . 1 . . . . . . . . 5935 1 592 . 1 1 156 156 ASP C C 13 175.643 0.05 . 1 . . . . . . . . 5935 1 593 . 1 1 157 157 LYS N N 15 115.513 0.05 . 1 . . . . . . . . 5935 1 594 . 1 1 157 157 LYS H H 1 8.277 0.02 . 1 . . . . . . . . 5935 1 595 . 1 1 157 157 LYS CA C 13 52.744 0.05 . 1 . . . . . . . . 5935 1 596 . 1 1 157 157 LYS CB C 13 31.771 0.05 . 1 . . . . . . . . 5935 1 597 . 1 1 157 157 LYS C C 13 176.570 0.05 . 1 . . . . . . . . 5935 1 598 . 1 1 158 158 SER N N 15 118.083 0.05 . 1 . . . . . . . . 5935 1 599 . 1 1 158 158 SER H H 1 8.945 0.02 . 1 . . . . . . . . 5935 1 600 . 1 1 158 158 SER CA C 13 57.286 0.05 . 1 . . . . . . . . 5935 1 601 . 1 1 158 158 SER CB C 13 64.544 0.05 . 1 . . . . . . . . 5935 1 602 . 1 1 158 158 SER C C 13 175.600 0.05 . 1 . . . . . . . . 5935 1 603 . 1 1 159 159 SER N N 15 117.440 0.05 . 1 . . . . . . . . 5935 1 604 . 1 1 159 159 SER H H 1 8.649 0.02 . 1 . . . . . . . . 5935 1 605 . 1 1 159 159 SER CA C 13 60.889 0.05 . 1 . . . . . . . . 5935 1 606 . 1 1 159 159 SER CB C 13 64.450 0.05 . 1 . . . . . . . . 5935 1 607 . 1 1 159 159 SER C C 13 175.628 0.05 . 1 . . . . . . . . 5935 1 608 . 1 1 160 160 ASP CA C 13 55.498 0.05 . 1 . . . . . . . . 5935 1 609 . 1 1 160 160 ASP C C 13 175.164 0.05 . 1 . . . . . . . . 5935 1 610 . 1 1 161 161 GLU N N 15 127.075 0.05 . 1 . . . . . . . . 5935 1 611 . 1 1 161 161 GLU H H 1 7.949 0.02 . 1 . . . . . . . . 5935 1 612 . 1 1 161 161 GLU CA C 13 57.681 0.05 . 1 . . . . . . . . 5935 1 613 . 1 1 161 161 GLU C C 13 181.117 0.05 . 1 . . . . . . . . 5935 1 614 . 1 1 163 163 PRO CA C 13 64.556 0.05 . 1 . . . . . . . . 5935 1 615 . 1 1 163 163 PRO CB C 13 29.133 0.05 . 1 . . . . . . . . 5935 1 616 . 1 1 163 163 PRO C C 13 173.776 0.05 . 1 . . . . . . . . 5935 1 617 . 1 1 164 164 TYR N N 15 113.247 0.05 . 1 . . . . . . . . 5935 1 618 . 1 1 164 164 TYR H H 1 7.633 0.02 . 1 . . . . . . . . 5935 1 619 . 1 1 164 164 TYR CA C 13 56.863 0.05 . 1 . . . . . . . . 5935 1 620 . 1 1 164 164 TYR CB C 13 38.953 0.05 . 1 . . . . . . . . 5935 1 621 . 1 1 164 164 TYR C C 13 175.909 0.05 . 1 . . . . . . . . 5935 1 622 . 1 1 165 165 LEU N N 15 119.975 0.05 . 1 . . . . . . . . 5935 1 623 . 1 1 165 165 LEU H H 1 7.105 0.02 . 1 . . . . . . . . 5935 1 624 . 1 1 165 165 LEU CA C 13 55.478 0.05 . 1 . . . . . . . . 5935 1 625 . 1 1 165 165 LEU CB C 13 40.385 0.05 . 1 . . . . . . . . 5935 1 626 . 1 1 165 165 LEU C C 13 177.180 0.05 . 1 . . . . . . . . 5935 1 627 . 1 1 166 166 LYS N N 15 123.221 0.05 . 1 . . . . . . . . 5935 1 628 . 1 1 166 166 LYS H H 1 8.653 0.02 . 1 . . . . . . . . 5935 1 629 . 1 1 166 166 LYS CA C 13 56.740 0.05 . 1 . . . . . . . . 5935 1 630 . 1 1 166 166 LYS CB C 13 31.398 0.05 . 1 . . . . . . . . 5935 1 631 . 1 1 166 166 LYS C C 13 176.033 0.05 . 1 . . . . . . . . 5935 1 632 . 1 1 167 167 CYS N N 15 123.525 0.05 . 1 . . . . . . . . 5935 1 633 . 1 1 167 167 CYS H H 1 9.089 0.02 . 1 . . . . . . . . 5935 1 634 . 1 1 167 167 CYS CA C 13 55.140 0.05 . 1 . . . . . . . . 5935 1 635 . 1 1 167 167 CYS CB C 13 31.418 0.05 . 1 . . . . . . . . 5935 1 636 . 1 1 170 170 HIS CA C 13 54.186 0.05 . 1 . . . . . . . . 5935 1 637 . 1 1 170 170 HIS C C 13 172.158 0.05 . 1 . . . . . . . . 5935 1 638 . 1 1 171 171 THR N N 15 113.336 0.05 . 1 . . . . . . . . 5935 1 639 . 1 1 171 171 THR H H 1 7.338 0.02 . 1 . . . . . . . . 5935 1 640 . 1 1 171 171 THR CA C 13 61.129 0.05 . 1 . . . . . . . . 5935 1 641 . 1 1 171 171 THR CB C 13 71.443 0.05 . 1 . . . . . . . . 5935 1 642 . 1 1 171 171 THR C C 13 173.657 0.05 . 1 . . . . . . . . 5935 1 643 . 1 1 172 172 VAL N N 15 128.488 0.05 . 1 . . . . . . . . 5935 1 644 . 1 1 172 172 VAL H H 1 9.290 0.02 . 1 . . . . . . . . 5935 1 645 . 1 1 172 172 VAL CA C 13 60.256 0.05 . 1 . . . . . . . . 5935 1 646 . 1 1 172 172 VAL CB C 13 32.834 0.05 . 1 . . . . . . . . 5935 1 647 . 1 1 172 172 VAL C C 13 173.545 0.05 . 1 . . . . . . . . 5935 1 648 . 1 1 173 173 LEU CA C 13 52.437 0.05 . 1 . . . . . . . . 5935 1 649 . 1 1 173 173 LEU CB C 13 41.731 0.05 . 1 . . . . . . . . 5935 1 650 . 1 1 173 173 LEU C C 13 174.661 0.05 . 1 . . . . . . . . 5935 1 651 . 1 1 174 174 LYS N N 15 124.711 0.05 . 1 . . . . . . . . 5935 1 652 . 1 1 174 174 LYS H H 1 9.120 0.02 . 1 . . . . . . . . 5935 1 653 . 1 1 174 174 LYS CA C 13 54.230 0.05 . 1 . . . . . . . . 5935 1 654 . 1 1 174 174 LYS CB C 13 34.431 0.05 . 1 . . . . . . . . 5935 1 655 . 1 1 174 174 LYS C C 13 174.947 0.05 . 1 . . . . . . . . 5935 1 656 . 1 1 175 175 LEU N N 15 131.824 0.05 . 1 . . . . . . . . 5935 1 657 . 1 1 175 175 LEU H H 1 9.561 0.02 . 1 . . . . . . . . 5935 1 658 . 1 1 175 175 LEU CA C 13 53.174 0.05 . 1 . . . . . . . . 5935 1 659 . 1 1 175 175 LEU CB C 13 42.131 0.05 . 1 . . . . . . . . 5935 1 660 . 1 1 175 175 LEU C C 13 176.087 0.05 . 1 . . . . . . . . 5935 1 661 . 1 1 176 176 THR N N 15 116.474 0.05 . 1 . . . . . . . . 5935 1 662 . 1 1 176 176 THR H H 1 8.492 0.02 . 1 . . . . . . . . 5935 1 663 . 1 1 176 176 THR CA C 13 58.114 0.05 . 1 . . . . . . . . 5935 1 664 . 1 1 176 176 THR CB C 13 70.270 0.05 . 1 . . . . . . . . 5935 1 665 . 1 1 176 176 THR C C 13 176.088 0.05 . 1 . . . . . . . . 5935 1 666 . 1 1 177 177 PRO CA C 13 63.194 0.05 . 1 . . . . . . . . 5935 1 667 . 1 1 177 177 PRO CB C 13 31.446 0.05 . 1 . . . . . . . . 5935 1 668 . 1 1 177 177 PRO C C 13 176.071 0.05 . 1 . . . . . . . . 5935 1 669 . 1 1 178 178 VAL N N 15 118.725 0.05 . 1 . . . . . . . . 5935 1 670 . 1 1 178 178 VAL H H 1 8.189 0.02 . 1 . . . . . . . . 5935 1 671 . 1 1 178 178 VAL CA C 13 59.381 0.05 . 1 . . . . . . . . 5935 1 672 . 1 1 178 178 VAL CB C 13 33.940 0.05 . 1 . . . . . . . . 5935 1 673 . 1 1 178 178 VAL C C 13 176.063 0.05 . 1 . . . . . . . . 5935 1 674 . 1 1 179 179 ALA N N 15 122.911 0.05 . 1 . . . . . . . . 5935 1 675 . 1 1 179 179 ALA H H 1 8.301 0.02 . 1 . . . . . . . . 5935 1 676 . 1 1 179 179 ALA CA C 13 54.772 0.05 . 1 . . . . . . . . 5935 1 677 . 1 1 179 179 ALA CB C 13 18.269 0.05 . 1 . . . . . . . . 5935 1 678 . 1 1 179 179 ALA C C 13 178.213 0.05 . 1 . . . . . . . . 5935 1 679 . 1 1 180 180 TYR N N 15 112.918 0.05 . 1 . . . . . . . . 5935 1 680 . 1 1 180 180 TYR H H 1 7.442 0.02 . 1 . . . . . . . . 5935 1 681 . 1 1 180 180 TYR CA C 13 56.473 0.05 . 1 . . . . . . . . 5935 1 682 . 1 1 180 180 TYR CB C 13 36.517 0.05 . 1 . . . . . . . . 5935 1 683 . 1 1 180 180 TYR C C 13 175.022 0.05 . 1 . . . . . . . . 5935 1 684 . 1 1 181 181 GLY N N 15 109.614 0.05 . 1 . . . . . . . . 5935 1 685 . 1 1 181 181 GLY H H 1 7.549 0.02 . 1 . . . . . . . . 5935 1 686 . 1 1 181 181 GLY CA C 13 45.321 0.05 . 1 . . . . . . . . 5935 1 687 . 1 1 181 181 GLY C C 13 172.219 0.05 . 1 . . . . . . . . 5935 1 688 . 1 1 182 182 CYS N N 15 121.405 0.05 . 1 . . . . . . . . 5935 1 689 . 1 1 182 182 CYS H H 1 8.437 0.02 . 1 . . . . . . . . 5935 1 690 . 1 1 182 182 CYS CA C 13 58.387 0.05 . 1 . . . . . . . . 5935 1 691 . 1 1 182 182 CYS CB C 13 29.171 0.05 . 1 . . . . . . . . 5935 1 692 . 1 1 182 182 CYS C C 13 173.079 0.05 . 1 . . . . . . . . 5935 1 693 . 1 1 183 183 ARG N N 15 127.075 0.05 . 1 . . . . . . . . 5935 1 694 . 1 1 183 183 ARG H H 1 8.487 0.02 . 1 . . . . . . . . 5935 1 695 . 1 1 183 183 ARG CA C 13 54.998 0.05 . 1 . . . . . . . . 5935 1 696 . 1 1 183 183 ARG CB C 13 30.540 0.05 . 1 . . . . . . . . 5935 1 697 . 1 1 183 183 ARG C C 13 175.251 0.05 . 1 . . . . . . . . 5935 1 698 . 1 1 184 184 VAL N N 15 122.518 0.05 . 1 . . . . . . . . 5935 1 699 . 1 1 184 184 VAL H H 1 8.509 0.02 . 1 . . . . . . . . 5935 1 700 . 1 1 184 184 VAL CA C 13 60.264 0.05 . 1 . . . . . . . . 5935 1 701 . 1 1 184 184 VAL CB C 13 33.740 0.05 . 1 . . . . . . . . 5935 1 702 . 1 1 184 184 VAL C C 13 174.702 0.05 . 1 . . . . . . . . 5935 1 703 . 1 1 185 185 GLU N N 15 127.992 0.05 . 1 . . . . . . . . 5935 1 704 . 1 1 185 185 GLU H H 1 8.661 0.02 . 1 . . . . . . . . 5935 1 705 . 1 1 185 185 GLU CA C 13 54.182 0.05 . 1 . . . . . . . . 5935 1 706 . 1 1 185 185 GLU CB C 13 32.467 0.05 . 1 . . . . . . . . 5935 1 707 . 1 1 185 185 GLU CG C 13 35.685 0.05 . 1 . . . . . . . . 5935 1 708 . 1 1 185 185 GLU C C 13 174.277 0.05 . 1 . . . . . . . . 5935 1 709 . 1 1 186 186 SER N N 15 118.725 0.05 . 1 . . . . . . . . 5935 1 710 . 1 1 186 186 SER H H 1 8.665 0.02 . 1 . . . . . . . . 5935 1 711 . 1 1 186 186 SER CA C 13 56.717 0.05 . 1 . . . . . . . . 5935 1 712 . 1 1 186 186 SER CB C 13 63.185 0.05 . 1 . . . . . . . . 5935 1 713 . 1 1 186 186 SER C C 13 174.214 0.05 . 1 . . . . . . . . 5935 1 714 . 1 1 187 187 ILE N N 15 128.808 0.05 . 1 . . . . . . . . 5935 1 715 . 1 1 187 187 ILE H H 1 9.392 0.02 . 1 . . . . . . . . 5935 1 716 . 1 1 187 187 ILE CA C 13 60.690 0.05 . 1 . . . . . . . . 5935 1 717 . 1 1 187 187 ILE CB C 13 37.960 0.05 . 1 . . . . . . . . 5935 1 718 . 1 1 187 187 ILE C C 13 174.538 0.05 . 1 . . . . . . . . 5935 1 719 . 1 1 188 188 TYR N N 15 128.770 0.05 . 1 . . . . . . . . 5935 1 720 . 1 1 188 188 TYR H H 1 8.899 0.02 . 1 . . . . . . . . 5935 1 721 . 1 1 188 188 TYR CA C 13 56.279 0.05 . 1 . . . . . . . . 5935 1 722 . 1 1 188 188 TYR CB C 13 39.002 0.05 . 1 . . . . . . . . 5935 1 723 . 1 1 189 189 LEU CA C 13 51.849 0.05 . 1 . . . . . . . . 5935 1 724 . 1 1 189 189 LEU C C 13 176.426 0.05 . 1 . . . . . . . . 5935 1 725 . 1 1 190 190 ASN N N 15 127.685 0.05 . 1 . . . . . . . . 5935 1 726 . 1 1 190 190 ASN H H 1 7.753 0.02 . 1 . . . . . . . . 5935 1 727 . 1 1 190 190 ASN CA C 13 56.056 0.05 . 1 . . . . . . . . 5935 1 728 . 1 1 190 190 ASN C C 13 177.053 0.05 . 1 . . . . . . . . 5935 1 729 . 1 1 191 191 VAL N N 15 115.251 0.05 . 1 . . . . . . . . 5935 1 730 . 1 1 191 191 VAL H H 1 7.470 0.02 . 1 . . . . . . . . 5935 1 731 . 1 1 191 191 VAL CA C 13 62.834 0.05 . 1 . . . . . . . . 5935 1 732 . 1 1 191 191 VAL C C 13 176.764 0.05 . 1 . . . . . . . . 5935 1 733 . 1 1 192 192 GLU N N 15 120.973 0.05 . 1 . . . . . . . . 5935 1 734 . 1 1 192 192 GLU H H 1 8.432 0.02 . 1 . . . . . . . . 5935 1 735 . 1 1 192 192 GLU CA C 13 56.066 0.05 . 1 . . . . . . . . 5935 1 736 . 1 1 192 192 GLU CG C 13 35.385 0.05 . 1 . . . . . . . . 5935 1 737 . 1 1 192 192 GLU C C 13 176.123 0.05 . 1 . . . . . . . . 5935 1 738 . 1 1 193 193 ALA N N 15 124.506 0.05 . 1 . . . . . . . . 5935 1 739 . 1 1 193 193 ALA H H 1 8.450 0.02 . 1 . . . . . . . . 5935 1 740 . 1 1 193 193 ALA CA C 13 52.326 0.05 . 1 . . . . . . . . 5935 1 741 . 1 1 193 193 ALA CB C 13 27.821 0.05 . 1 . . . . . . . . 5935 1 742 . 1 1 193 193 ALA C C 13 176.876 0.05 . 1 . . . . . . . . 5935 1 743 . 1 1 194 194 VAL N N 15 119.492 0.05 . 1 . . . . . . . . 5935 1 744 . 1 1 194 194 VAL H H 1 8.394 0.02 . 1 . . . . . . . . 5935 1 745 . 1 1 194 194 VAL CA C 13 55.940 0.05 . 1 . . . . . . . . 5935 1 746 . 1 1 194 194 VAL CB C 13 32.565 0.05 . 1 . . . . . . . . 5935 1 747 . 1 1 194 194 VAL C C 13 176.671 0.05 . 1 . . . . . . . . 5935 1 748 . 1 1 195 195 ASN N N 15 127.396 0.05 . 1 . . . . . . . . 5935 1 749 . 1 1 195 195 ASN H H 1 9.666 0.02 . 1 . . . . . . . . 5935 1 750 . 1 1 195 195 ASN CA C 13 59.455 0.05 . 1 . . . . . . . . 5935 1 751 . 1 1 195 195 ASN C C 13 176.460 0.05 . 1 . . . . . . . . 5935 1 752 . 1 1 196 196 THR N N 15 117.963 0.05 . 1 . . . . . . . . 5935 1 753 . 1 1 196 196 THR H H 1 7.415 0.02 . 1 . . . . . . . . 5935 1 754 . 1 1 196 196 THR CA C 13 58.559 0.05 . 1 . . . . . . . . 5935 1 755 . 1 1 197 197 HIS CA C 13 55.749 0.05 . 1 . . . . . . . . 5935 1 756 . 1 1 198 198 ARG N N 15 117.963 0.05 . 1 . . . . . . . . 5935 1 757 . 1 1 198 198 ARG H H 1 7.274 0.02 . 1 . . . . . . . . 5935 1 758 . 1 1 198 198 ARG CA C 13 57.041 0.05 . 1 . . . . . . . . 5935 1 759 . 1 1 198 198 ARG CB C 13 30.597 0.05 . 1 . . . . . . . . 5935 1 760 . 1 1 198 198 ARG C C 13 177.803 0.05 . 1 . . . . . . . . 5935 1 761 . 1 1 199 199 ASP N N 15 121.157 0.05 . 1 . . . . . . . . 5935 1 762 . 1 1 199 199 ASP H H 1 7.749 0.02 . 1 . . . . . . . . 5935 1 763 . 1 1 199 199 ASP CA C 13 60.641 0.05 . 1 . . . . . . . . 5935 1 764 . 1 1 199 199 ASP CB C 13 40.656 0.05 . 1 . . . . . . . . 5935 1 765 . 1 1 199 199 ASP C C 13 173.712 0.05 . 1 . . . . . . . . 5935 1 766 . 1 1 200 200 LYS N N 15 114.854 0.05 . 1 . . . . . . . . 5935 1 767 . 1 1 200 200 LYS H H 1 7.488 0.02 . 1 . . . . . . . . 5935 1 768 . 1 1 200 200 LYS CA C 13 55.558 0.05 . 1 . . . . . . . . 5935 1 769 . 1 1 200 200 LYS CB C 13 39.997 0.05 . 1 . . . . . . . . 5935 1 770 . 1 1 200 200 LYS C C 13 178.264 0.05 . 1 . . . . . . . . 5935 1 771 . 1 1 201 201 PRO CA C 13 62.718 0.05 . 1 . . . . . . . . 5935 1 772 . 1 1 201 201 PRO CG C 13 26.244 0.05 . 1 . . . . . . . . 5935 1 773 . 1 1 202 202 GLU N N 15 120.652 0.05 . 1 . . . . . . . . 5935 1 774 . 1 1 202 202 GLU H H 1 8.541 0.02 . 1 . . . . . . . . 5935 1 775 . 1 1 202 202 GLU CA C 13 56.099 0.05 . 1 . . . . . . . . 5935 1 776 . 1 1 202 202 GLU CB C 13 29.592 0.05 . 1 . . . . . . . . 5935 1 777 . 1 1 202 202 GLU CG C 13 35.424 0.05 . 1 . . . . . . . . 5935 1 778 . 1 1 202 202 GLU C C 13 176.199 0.05 . 1 . . . . . . . . 5935 1 779 . 1 1 203 203 ASN N N 15 119.429 0.05 . 1 . . . . . . . . 5935 1 780 . 1 1 203 203 ASN H H 1 8.382 0.02 . 1 . . . . . . . . 5935 1 781 . 1 1 203 203 ASN CA C 13 52.739 0.05 . 1 . . . . . . . . 5935 1 782 . 1 1 203 203 ASN CB C 13 35.197 0.05 . 1 . . . . . . . . 5935 1 783 . 1 1 203 203 ASN C C 13 174.913 0.05 . 1 . . . . . . . . 5935 1 784 . 1 1 204 204 VAL N N 15 119.427 0.05 . 1 . . . . . . . . 5935 1 785 . 1 1 204 204 VAL H H 1 7.966 0.02 . 1 . . . . . . . . 5935 1 786 . 1 1 204 204 VAL CA C 13 61.658 0.05 . 1 . . . . . . . . 5935 1 787 . 1 1 204 204 VAL CB C 13 31.903 0.05 . 1 . . . . . . . . 5935 1 788 . 1 1 204 204 VAL CG1 C 13 19.966 0.05 . 2 . . . . . . . . 5935 1 789 . 1 1 204 204 VAL C C 13 175.559 0.05 . 1 . . . . . . . . 5935 1 790 . 1 1 205 205 ASP N N 15 123.767 0.05 . 1 . . . . . . . . 5935 1 791 . 1 1 205 205 ASP H H 1 8.331 0.02 . 1 . . . . . . . . 5935 1 792 . 1 1 205 205 ASP CA C 13 53.801 0.05 . 1 . . . . . . . . 5935 1 793 . 1 1 205 205 ASP CB C 13 40.435 0.05 . 1 . . . . . . . . 5935 1 794 . 1 1 205 205 ASP C C 13 176.368 0.05 . 1 . . . . . . . . 5935 1 795 . 1 1 206 206 ILE N N 15 120.652 0.05 . 1 . . . . . . . . 5935 1 796 . 1 1 206 206 ILE H H 1 8.031 0.02 . 1 . . . . . . . . 5935 1 797 . 1 1 206 206 ILE CA C 13 60.950 0.05 . 1 . . . . . . . . 5935 1 798 . 1 1 206 206 ILE CB C 13 37.791 0.05 . 1 . . . . . . . . 5935 1 799 . 1 1 206 206 ILE CG1 C 13 26.072 0.05 . 2 . . . . . . . . 5935 1 800 . 1 1 206 206 ILE CD1 C 13 12.045 0.05 . 1 . . . . . . . . 5935 1 801 . 1 1 206 206 ILE CG2 C 13 16.713 0.05 . 2 . . . . . . . . 5935 1 802 . 1 1 206 206 ILE C C 13 176.591 0.05 . 1 . . . . . . . . 5935 1 803 . 1 1 207 207 THR N N 15 117.440 0.05 . 1 . . . . . . . . 5935 1 804 . 1 1 207 207 THR H H 1 8.205 0.02 . 1 . . . . . . . . 5935 1 805 . 1 1 207 207 THR CA C 13 62.031 0.05 . 1 . . . . . . . . 5935 1 806 . 1 1 207 207 THR CB C 13 68.966 0.05 . 1 . . . . . . . . 5935 1 807 . 1 1 207 207 THR CG2 C 13 20.773 0.05 . 1 . . . . . . . . 5935 1 808 . 1 1 207 207 THR C C 13 174.611 0.05 . 1 . . . . . . . . 5935 1 809 . 1 1 208 208 ARG N N 15 123.314 0.05 . 1 . . . . . . . . 5935 1 810 . 1 1 208 208 ARG H H 1 8.161 0.02 . 1 . . . . . . . . 5935 1 811 . 1 1 208 208 ARG CA C 13 55.657 0.05 . 1 . . . . . . . . 5935 1 812 . 1 1 208 208 ARG CB C 13 29.862 0.05 . 1 . . . . . . . . 5935 1 813 . 1 1 208 208 ARG CG C 13 26.039 0.05 . 1 . . . . . . . . 5935 1 814 . 1 1 208 208 ARG CD C 13 42.544 0.05 . 1 . . . . . . . . 5935 1 815 . 1 1 208 208 ARG C C 13 176.283 0.05 . 1 . . . . . . . . 5935 1 816 . 1 1 209 209 GLU N N 15 121.319 0.05 . 1 . . . . . . . . 5935 1 817 . 1 1 209 209 GLU H H 1 8.389 0.02 . 1 . . . . . . . . 5935 1 818 . 1 1 209 209 GLU CA C 13 56.326 0.05 . 1 . . . . . . . . 5935 1 819 . 1 1 209 209 GLU CB C 13 29.382 0.05 . 1 . . . . . . . . 5935 1 820 . 1 1 209 209 GLU CG C 13 35.393 0.05 . 1 . . . . . . . . 5935 1 821 . 1 1 209 209 GLU C C 13 176.419 0.05 . 1 . . . . . . . . 5935 1 822 . 1 1 210 210 ALA N N 15 124.017 0.05 . 1 . . . . . . . . 5935 1 823 . 1 1 210 210 ALA H H 1 8.241 0.02 . 1 . . . . . . . . 5935 1 824 . 1 1 210 210 ALA CA C 13 52.386 0.05 . 1 . . . . . . . . 5935 1 825 . 1 1 210 210 ALA CB C 13 18.461 0.05 . 1 . . . . . . . . 5935 1 826 . 1 1 210 210 ALA C C 13 177.836 0.05 . 1 . . . . . . . . 5935 1 827 . 1 1 211 211 GLU N N 15 119.974 0.05 . 1 . . . . . . . . 5935 1 828 . 1 1 211 211 GLU H H 1 8.272 0.02 . 1 . . . . . . . . 5935 1 829 . 1 1 211 211 GLU CA C 13 56.397 0.05 . 1 . . . . . . . . 5935 1 830 . 1 1 211 211 GLU CB C 13 29.464 0.05 . 1 . . . . . . . . 5935 1 831 . 1 1 211 211 GLU CG C 13 35.569 0.05 . 1 . . . . . . . . 5935 1 832 . 1 1 211 211 GLU C C 13 176.544 0.05 . 1 . . . . . . . . 5935 1 833 . 1 1 212 212 GLU N N 15 121.687 0.05 . 1 . . . . . . . . 5935 1 834 . 1 1 212 212 GLU H H 1 8.275 0.02 . 1 . . . . . . . . 5935 1 835 . 1 1 212 212 GLU CA C 13 56.132 0.05 . 1 . . . . . . . . 5935 1 836 . 1 1 212 212 GLU CB C 13 29.354 0.05 . 1 . . . . . . . . 5935 1 837 . 1 1 212 212 GLU C C 13 176.136 0.05 . 1 . . . . . . . . 5935 1 838 . 1 1 213 213 ALA N N 15 124.942 0.05 . 1 . . . . . . . . 5935 1 839 . 1 1 213 213 ALA H H 1 8.196 0.02 . 1 . . . . . . . . 5935 1 840 . 1 1 213 213 ALA CA C 13 51.846 0.05 . 1 . . . . . . . . 5935 1 841 . 1 1 213 213 ALA CB C 13 19.625 0.05 . 1 . . . . . . . . 5935 1 842 . 1 1 213 213 ALA C C 13 177.398 0.05 . 1 . . . . . . . . 5935 1 843 . 1 1 214 214 LEU N N 15 121.941 0.05 . 1 . . . . . . . . 5935 1 844 . 1 1 214 214 LEU H H 1 8.192 0.02 . 1 . . . . . . . . 5935 1 845 . 1 1 214 214 LEU CA C 13 54.666 0.05 . 1 . . . . . . . . 5935 1 846 . 1 1 214 214 LEU CB C 13 41.256 0.05 . 1 . . . . . . . . 5935 1 847 . 1 1 214 214 LEU CG C 13 23.861 0.05 . 1 . . . . . . . . 5935 1 848 . 1 1 214 214 LEU CD1 C 13 22.625 0.05 . 2 . . . . . . . . 5935 1 849 . 1 1 214 214 LEU C C 13 177.320 0.05 . 1 . . . . . . . . 5935 1 850 . 1 1 215 215 ASP N N 15 120.287 0.05 . 1 . . . . . . . . 5935 1 851 . 1 1 215 215 ASP H H 1 8.247 0.02 . 1 . . . . . . . . 5935 1 852 . 1 1 215 215 ASP CA C 13 53.860 0.05 . 1 . . . . . . . . 5935 1 853 . 1 1 215 215 ASP CB C 13 40.430 0.05 . 1 . . . . . . . . 5935 1 854 . 1 1 215 215 ASP C C 13 176.455 0.05 . 1 . . . . . . . . 5935 1 855 . 1 1 216 216 THR N N 15 113.789 0.05 . 1 . . . . . . . . 5935 1 856 . 1 1 216 216 THR H H 1 7.925 0.02 . 1 . . . . . . . . 5935 1 857 . 1 1 216 216 THR CA C 13 61.402 0.05 . 1 . . . . . . . . 5935 1 858 . 1 1 216 216 THR CB C 13 69.128 0.05 . 1 . . . . . . . . 5935 1 859 . 1 1 216 216 THR CG2 C 13 20.794 0.05 . 1 . . . . . . . . 5935 1 860 . 1 1 216 216 THR C C 13 174.305 0.05 . 1 . . . . . . . . 5935 1 861 . 1 1 217 217 VAL N N 15 123.995 0.05 . 1 . . . . . . . . 5935 1 862 . 1 1 217 217 VAL H H 1 8.054 0.02 . 1 . . . . . . . . 5935 1 863 . 1 1 217 217 VAL CA C 13 59.609 0.05 . 1 . . . . . . . . 5935 1 864 . 1 1 217 217 VAL CB C 13 31.583 0.05 . 1 . . . . . . . . 5935 1 865 . 1 1 217 217 VAL C C 13 174.320 0.05 . 1 . . . . . . . . 5935 1 866 . 1 1 218 218 PRO CA C 13 62.644 0.05 . 1 . . . . . . . . 5935 1 867 . 1 1 218 218 PRO CB C 13 31.297 0.05 . 1 . . . . . . . . 5935 1 868 . 1 1 218 218 PRO CG C 13 26.362 0.05 . 1 . . . . . . . . 5935 1 869 . 1 1 218 218 PRO CD C 13 50.255 0.05 . 1 . . . . . . . . 5935 1 870 . 1 1 219 219 ALA N N 15 123.887 0.05 . 1 . . . . . . . . 5935 1 871 . 1 1 219 219 ALA H H 1 8.227 0.02 . 1 . . . . . . . . 5935 1 872 . 1 1 219 219 ALA CA C 13 51.877 0.05 . 1 . . . . . . . . 5935 1 873 . 1 1 219 219 ALA CB C 13 18.540 0.05 . 1 . . . . . . . . 5935 1 874 . 1 1 219 219 ALA C C 13 177.069 0.05 . 1 . . . . . . . . 5935 1 875 . 1 1 220 220 HIS N N 15 118.030 0.05 . 1 . . . . . . . . 5935 1 876 . 1 1 220 220 HIS H H 1 7.998 0.02 . 1 . . . . . . . . 5935 1 877 . 1 1 220 220 HIS CA C 13 55.259 0.05 . 1 . . . . . . . . 5935 1 878 . 1 1 220 220 HIS CB C 13 29.923 0.05 . 1 . . . . . . . . 5935 1 879 . 1 1 220 220 HIS C C 13 173.586 0.05 . 1 . . . . . . . . 5935 1 880 . 1 1 221 221 TYR N N 15 126.433 0.05 . 1 . . . . . . . . 5935 1 881 . 1 1 221 221 TYR H H 1 7.690 0.02 . 1 . . . . . . . . 5935 1 882 . 1 1 221 221 TYR CA C 13 58.926 0.05 . 1 . . . . . . . . 5935 1 883 . 1 1 221 221 TYR CB C 13 38.557 0.05 . 1 . . . . . . . . 5935 1 884 . 1 1 221 221 TYR C C 13 180.437 0.05 . 1 . . . . . . . . 5935 1 stop_ save_