data_5863 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5863 _Entry.Title ; Backbone HN, N, Ca, C and Cb chemical shift assignments and Secondary Structure of FkpA, a 245-residue peptidyl- prolyl cis/trans isomerase with chaperone activity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-08 _Entry.Accession_date 2003-07-09 _Entry.Last_release_date 2004-02-13 _Entry.Original_release_date 2004-02-13 _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 Kaifeng Hu . . . 5863 2 Andreas Pluckthun . . . 5863 3 Konstantin Pervushin . . . 5863 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5863 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 219 5863 '13C chemical shifts' 685 5863 '15N chemical shifts' 219 5863 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 . . 2004-02-13 2003-07-09 original author . 5863 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5863 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14872134 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone HN, N, CA, C' and CB chemical shift assignments and Secondary Structure of FkpA, a 245-residue peptidyl- prolyl cis/trans isomerase with chaperone activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 4 _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 405 _Citation.Page_last 406 _Citation.Year 2004 _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 Kaifeng Hu . . . 5863 1 2 Andreas Pluckthun . . . 5863 1 3 Konstantin Pervushin . . . 5863 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID FkpA 5863 1 sFkpA 5863 1 'NMR backbone assignments' 5863 1 'peptidyl-prolyl cis/trans isomerase (PPIase)' 5863 1 'molecular chaperone' 5863 1 'FKBP domain' 5863 1 MIP 5863 1 'Macrophage Infectivity Potentiator' 5863 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5863 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10748201 _Citation.Full_citation ; Kathrin Ramm, A.P., The Periplasmic Escherichia coli Peptidylprolyl cis,trans-Isomerase FkpA. II. ISOMERASE-INDEPENDENT CHAPERONE ACTIVITY IN VITRO. J. Biol. Chem., 2000. 275: p. 17106-17113. ; _Citation.Title 'The periplasmic Escherichia coli peptidylprolyl cis,trans-isomerase FkpA. II. Isomerase-independent chaperone activity in vitro.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 275 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9258 _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 17106 _Citation.Page_last 17113 _Citation.Year 2000 _Citation.Details ; We recently identified FkpA by selecting for the increased yield of antibody single-chain Fv (scFv) fragments in phage display, even of those not containing cis-prolines. We have now investigated the properties of FkpA in vitro. The peptidylprolyl cis-trans-isomerase activity of FkpA was found to be among the highest of any such enzyme with a protein substrate, yet FkpA is not able to enhance the proline-limited refolding rate of the disulfide-free hu4D5-8 scFv fragment, probably due to inaccessibility of Pro-L95. Nevertheless, the yield of the soluble and functional scFv fragment was dramatically increased in vitro in the presence of FkpA. Similar effects were observed for an scFv fragment devoid of cis-prolines. We are thus forced to conclude that the observed folding-assisting function is independent of the isomerase activity of the protein. The beneficial effect of FkpA was found to be due to two components. First, FkpA interacts with early folding intermediates, thus preventing their aggregation. Additionally, it has the ability to reactivate inactive protein, possibly also by binding to a partially unfolded species that may exist in equilibrium with the aggregated form, which may thus be released on a productive pathway. These in vitro measurements therefore fully reflect the in vivo results from periplasmic overexpression of FkpA. ; 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 K. Ramm K. . . 5863 2 2 A. Pluckthun A. . . 5863 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5863 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11428902 _Citation.Full_citation ; Kathrin Ramm, A.P., High Enzymatic Activity and Chaperone Function are Mechanistically Related Features of the Dimeric E. coli Peptidyl-prolyl-isomerase FkpA. Journal of Molecular Biology, 2001. 310(2): p. 485-498. ; _Citation.Title 'High enzymatic activity and chaperone function are mechanistically related features of the dimeric E. coli peptidyl-prolyl-isomerase FkpA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 310 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _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 485 _Citation.Page_last 498 _Citation.Year 2001 _Citation.Details ; We have recently described the existence of a chaperone activity for the dimeric peptidyl-prolyl cis/trans isomerase FkpA from the periplasm of Escherichia coli that is independent of its isomerase activity. We have now investigated the molecular mechanism of these two activities in vitro in greater detail. The isomerase activity with a protein substrate (RNaseT1) is characterized by a 100-fold higher k(cat)/K(M) value than with a short tetrapeptide substrate. This enhanced activity with a protein is due to an increased affinity towards the protein substrate mediated by a polypeptide-binding site that is distinct from the active site. The chaperone activity is also mediated by interaction of folding and unfolding intermediates with a binding site that is most likely identical to the polypeptide-binding site which enhances catalysis. Both activities are thus mechanistically related, being based on the transient interaction with this high-affinity polypeptide-binding site. Only the isomerase activity, but not the chaperone activity, with the substrate citrate synthase can be inhibited by FK520. Experiments with the isolated domains of FkpA imply that both the isomerase and the chaperone site are located on the highly conserved FKBP domain. The additional amino-terminal domain mediates the dimerization and thus places the two active sites of the FKBP domains in juxtaposition, such that they can simultaneously interact with a protein, and this is required for full catalytic activity. ; 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 K. Ramm K. . . 5863 3 2 A. Pluckthun A. . . 5863 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FkpA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FkpA _Assembly.Entry_ID 5863 _Assembly.ID 1 _Assembly.Name FkpA _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5863 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 'FkpA, chain 1' 1 $FkpA . . . native . . 1 . . 5863 1 2 'FkpA, chain 2' 1 $FkpA . . . native . . 1 . . 5863 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID FkpA system 5863 1 FkpA abbreviation 5863 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'peptidyl-prolyl cis/trans isomerase(PPIase)' 5863 1 'molecular chaperone' 5863 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FkpA _Entity.Sf_category entity _Entity.Sf_framecode FkpA _Entity.Entry_ID 5863 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FkpA _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 ; AEAAKPATAADSKAAFKNDD QKSAYALGASLGRYMENSLK EQEKLGIKLDKDQLIAGVQD AFADKSKLSDQEIEQTLQAF EARVKSSAQAKMEKDAADNE AKGKEYREKFAKEKGVKTSS TGLVYQVVEAGKGEAPKDSD TVVVNYKGTLIDGKEFDNSY TRGEPLSFRLDGVIPGWTEG LKNIKKGGKIKLVIPPELAY GKAGVPGIPPNSTLVFDVEL LDVKPAPKADAKPEADAKAA DSAKK ; _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 245 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26223 _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 1Q6H . "Crystal Structure Of A Truncated Form Of Fkpa From Escherichia Coli" . . . . . 91.43 224 99.11 99.11 1.72e-153 . . . . 5863 1 2 no PDB 1Q6I . "Crystal Structure Of A Truncated Form Of Fkpa From Escherichia Coli, In Complex With Immunosuppressant Fk506" . . . . . 91.43 224 99.11 99.11 1.72e-153 . . . . 5863 1 3 no PDB 1Q6U . "Crystal Structure Of Fkpa From Escherichia Coli" . . . . . 100.00 245 100.00 100.00 2.75e-170 . . . . 5863 1 4 no DBJ BAB37621 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 5 no DBJ BAE77944 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 270 100.00 100.00 1.14e-170 . . . . 5863 1 6 no DBJ BAG79132 . "peptidyl-prolyl cis-trans isomerase [Escherichia coli SE11]" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 7 no DBJ BAI27605 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 8 no DBJ BAI32775 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 9 no EMBL CAP77799 . "FKBP-type peptidyl-prolyl cis-trans isomerase fkpA [Escherichia coli LF82]" . . . . . 100.00 270 99.18 99.59 1.77e-169 . . . . 5863 1 10 no EMBL CAQ33666 . "peptidyl-prolyl cis-trans isomerase; in protein folding [Escherichia coli BL21(DE3)]" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 11 no EMBL CAR00285 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli IAI1]" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 12 no EMBL CAR04951 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli S88]" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 13 no EMBL CAR10001 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli ED1a]" . . . . . 100.00 270 99.18 99.59 1.77e-169 . . . . 5863 1 14 no GB AAA58144 . "ORF_f270 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 270 100.00 100.00 1.14e-170 . . . . 5863 1 15 no GB AAC41459 . "fkpA [Escherichia coli]" . . . . . 100.00 270 100.00 100.00 1.14e-170 . . . . 5863 1 16 no GB AAC76372 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 270 100.00 100.00 1.14e-170 . . . . 5863 1 17 no GB AAG58454 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 270 99.18 99.18 5.12e-169 . . . . 5863 1 18 no GB AAN44828 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Shigella flexneri 2a str. 301]" . . . . . 100.00 270 99.18 99.59 9.82e-170 . . . . 5863 1 19 no REF NP_289894 . "FKBP-type peptidylprolyl isomerase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 270 99.18 99.18 5.12e-169 . . . . 5863 1 20 no REF NP_312225 . "FKBP-type peptidylprolyl isomerase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 21 no REF NP_417806 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 270 100.00 100.00 1.14e-170 . . . . 5863 1 22 no REF NP_709121 . "FKBP-type peptidylprolyl isomerase [Shigella flexneri 2a str. 301]" . . . . . 100.00 270 99.18 99.59 9.82e-170 . . . . 5863 1 23 no REF NP_755985 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli CFT073]" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 24 no SP P45523 . "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase FkpA; Short=PPIase; AltName: Full=Rotamase; Flags: Precursor [Esche" . . . . . 100.00 270 100.00 100.00 1.14e-170 . . . . 5863 1 25 no SP P65764 . "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase FkpA; Short=PPIase; AltName: Full=Rotamase; Flags: Precursor [Esche" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 26 no SP P65765 . "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase FkpA; Short=PPIase; AltName: Full=Rotamase; Flags: Precursor [Esche" . . . . . 100.00 270 99.59 99.59 5.27e-170 . . . . 5863 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FkpA common 5863 1 FkpA abbreviation 5863 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 . ALA . 5863 1 2 . GLU . 5863 1 3 . ALA . 5863 1 4 . ALA . 5863 1 5 . LYS . 5863 1 6 . PRO . 5863 1 7 . ALA . 5863 1 8 . THR . 5863 1 9 . ALA . 5863 1 10 . ALA . 5863 1 11 . ASP . 5863 1 12 . SER . 5863 1 13 . LYS . 5863 1 14 . ALA . 5863 1 15 . ALA . 5863 1 16 . PHE . 5863 1 17 . LYS . 5863 1 18 . ASN . 5863 1 19 . ASP . 5863 1 20 . ASP . 5863 1 21 . GLN . 5863 1 22 . LYS . 5863 1 23 . SER . 5863 1 24 . ALA . 5863 1 25 . TYR . 5863 1 26 . ALA . 5863 1 27 . LEU . 5863 1 28 . GLY . 5863 1 29 . ALA . 5863 1 30 . SER . 5863 1 31 . LEU . 5863 1 32 . GLY . 5863 1 33 . ARG . 5863 1 34 . TYR . 5863 1 35 . MET . 5863 1 36 . GLU . 5863 1 37 . ASN . 5863 1 38 . SER . 5863 1 39 . LEU . 5863 1 40 . LYS . 5863 1 41 . GLU . 5863 1 42 . GLN . 5863 1 43 . GLU . 5863 1 44 . LYS . 5863 1 45 . LEU . 5863 1 46 . GLY . 5863 1 47 . ILE . 5863 1 48 . LYS . 5863 1 49 . LEU . 5863 1 50 . ASP . 5863 1 51 . LYS . 5863 1 52 . ASP . 5863 1 53 . GLN . 5863 1 54 . LEU . 5863 1 55 . ILE . 5863 1 56 . ALA . 5863 1 57 . GLY . 5863 1 58 . VAL . 5863 1 59 . GLN . 5863 1 60 . ASP . 5863 1 61 . ALA . 5863 1 62 . PHE . 5863 1 63 . ALA . 5863 1 64 . ASP . 5863 1 65 . LYS . 5863 1 66 . SER . 5863 1 67 . LYS . 5863 1 68 . LEU . 5863 1 69 . SER . 5863 1 70 . ASP . 5863 1 71 . GLN . 5863 1 72 . GLU . 5863 1 73 . ILE . 5863 1 74 . GLU . 5863 1 75 . GLN . 5863 1 76 . THR . 5863 1 77 . LEU . 5863 1 78 . GLN . 5863 1 79 . ALA . 5863 1 80 . PHE . 5863 1 81 . GLU . 5863 1 82 . ALA . 5863 1 83 . ARG . 5863 1 84 . VAL . 5863 1 85 . LYS . 5863 1 86 . SER . 5863 1 87 . SER . 5863 1 88 . ALA . 5863 1 89 . GLN . 5863 1 90 . ALA . 5863 1 91 . LYS . 5863 1 92 . MET . 5863 1 93 . GLU . 5863 1 94 . LYS . 5863 1 95 . ASP . 5863 1 96 . ALA . 5863 1 97 . ALA . 5863 1 98 . ASP . 5863 1 99 . ASN . 5863 1 100 . GLU . 5863 1 101 . ALA . 5863 1 102 . LYS . 5863 1 103 . GLY . 5863 1 104 . LYS . 5863 1 105 . GLU . 5863 1 106 . TYR . 5863 1 107 . ARG . 5863 1 108 . GLU . 5863 1 109 . LYS . 5863 1 110 . PHE . 5863 1 111 . ALA . 5863 1 112 . LYS . 5863 1 113 . GLU . 5863 1 114 . LYS . 5863 1 115 . GLY . 5863 1 116 . VAL . 5863 1 117 . LYS . 5863 1 118 . THR . 5863 1 119 . SER . 5863 1 120 . SER . 5863 1 121 . THR . 5863 1 122 . GLY . 5863 1 123 . LEU . 5863 1 124 . VAL . 5863 1 125 . TYR . 5863 1 126 . GLN . 5863 1 127 . VAL . 5863 1 128 . VAL . 5863 1 129 . GLU . 5863 1 130 . ALA . 5863 1 131 . GLY . 5863 1 132 . LYS . 5863 1 133 . GLY . 5863 1 134 . GLU . 5863 1 135 . ALA . 5863 1 136 . PRO . 5863 1 137 . LYS . 5863 1 138 . ASP . 5863 1 139 . SER . 5863 1 140 . ASP . 5863 1 141 . THR . 5863 1 142 . VAL . 5863 1 143 . VAL . 5863 1 144 . VAL . 5863 1 145 . ASN . 5863 1 146 . TYR . 5863 1 147 . LYS . 5863 1 148 . GLY . 5863 1 149 . THR . 5863 1 150 . LEU . 5863 1 151 . ILE . 5863 1 152 . ASP . 5863 1 153 . GLY . 5863 1 154 . LYS . 5863 1 155 . GLU . 5863 1 156 . PHE . 5863 1 157 . ASP . 5863 1 158 . ASN . 5863 1 159 . SER . 5863 1 160 . TYR . 5863 1 161 . THR . 5863 1 162 . ARG . 5863 1 163 . GLY . 5863 1 164 . GLU . 5863 1 165 . PRO . 5863 1 166 . LEU . 5863 1 167 . SER . 5863 1 168 . PHE . 5863 1 169 . ARG . 5863 1 170 . LEU . 5863 1 171 . ASP . 5863 1 172 . GLY . 5863 1 173 . VAL . 5863 1 174 . ILE . 5863 1 175 . PRO . 5863 1 176 . GLY . 5863 1 177 . TRP . 5863 1 178 . THR . 5863 1 179 . GLU . 5863 1 180 . GLY . 5863 1 181 . LEU . 5863 1 182 . LYS . 5863 1 183 . ASN . 5863 1 184 . ILE . 5863 1 185 . LYS . 5863 1 186 . LYS . 5863 1 187 . GLY . 5863 1 188 . GLY . 5863 1 189 . LYS . 5863 1 190 . ILE . 5863 1 191 . LYS . 5863 1 192 . LEU . 5863 1 193 . VAL . 5863 1 194 . ILE . 5863 1 195 . PRO . 5863 1 196 . PRO . 5863 1 197 . GLU . 5863 1 198 . LEU . 5863 1 199 . ALA . 5863 1 200 . TYR . 5863 1 201 . GLY . 5863 1 202 . LYS . 5863 1 203 . ALA . 5863 1 204 . GLY . 5863 1 205 . VAL . 5863 1 206 . PRO . 5863 1 207 . GLY . 5863 1 208 . ILE . 5863 1 209 . PRO . 5863 1 210 . PRO . 5863 1 211 . ASN . 5863 1 212 . SER . 5863 1 213 . THR . 5863 1 214 . LEU . 5863 1 215 . VAL . 5863 1 216 . PHE . 5863 1 217 . ASP . 5863 1 218 . VAL . 5863 1 219 . GLU . 5863 1 220 . LEU . 5863 1 221 . LEU . 5863 1 222 . ASP . 5863 1 223 . VAL . 5863 1 224 . LYS . 5863 1 225 . PRO . 5863 1 226 . ALA . 5863 1 227 . PRO . 5863 1 228 . LYS . 5863 1 229 . ALA . 5863 1 230 . ASP . 5863 1 231 . ALA . 5863 1 232 . LYS . 5863 1 233 . PRO . 5863 1 234 . GLU . 5863 1 235 . ALA . 5863 1 236 . ASP . 5863 1 237 . ALA . 5863 1 238 . LYS . 5863 1 239 . ALA . 5863 1 240 . ALA . 5863 1 241 . ASP . 5863 1 242 . SER . 5863 1 243 . ALA . 5863 1 244 . LYS . 5863 1 245 . LYS . 5863 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 . ALA 1 1 5863 1 . GLU 2 2 5863 1 . ALA 3 3 5863 1 . ALA 4 4 5863 1 . LYS 5 5 5863 1 . PRO 6 6 5863 1 . ALA 7 7 5863 1 . THR 8 8 5863 1 . ALA 9 9 5863 1 . ALA 10 10 5863 1 . ASP 11 11 5863 1 . SER 12 12 5863 1 . LYS 13 13 5863 1 . ALA 14 14 5863 1 . ALA 15 15 5863 1 . PHE 16 16 5863 1 . LYS 17 17 5863 1 . ASN 18 18 5863 1 . ASP 19 19 5863 1 . ASP 20 20 5863 1 . GLN 21 21 5863 1 . LYS 22 22 5863 1 . SER 23 23 5863 1 . ALA 24 24 5863 1 . TYR 25 25 5863 1 . ALA 26 26 5863 1 . LEU 27 27 5863 1 . GLY 28 28 5863 1 . ALA 29 29 5863 1 . SER 30 30 5863 1 . LEU 31 31 5863 1 . GLY 32 32 5863 1 . ARG 33 33 5863 1 . TYR 34 34 5863 1 . MET 35 35 5863 1 . GLU 36 36 5863 1 . ASN 37 37 5863 1 . SER 38 38 5863 1 . LEU 39 39 5863 1 . LYS 40 40 5863 1 . GLU 41 41 5863 1 . GLN 42 42 5863 1 . GLU 43 43 5863 1 . LYS 44 44 5863 1 . LEU 45 45 5863 1 . GLY 46 46 5863 1 . ILE 47 47 5863 1 . LYS 48 48 5863 1 . LEU 49 49 5863 1 . ASP 50 50 5863 1 . LYS 51 51 5863 1 . ASP 52 52 5863 1 . GLN 53 53 5863 1 . LEU 54 54 5863 1 . ILE 55 55 5863 1 . ALA 56 56 5863 1 . GLY 57 57 5863 1 . VAL 58 58 5863 1 . GLN 59 59 5863 1 . ASP 60 60 5863 1 . ALA 61 61 5863 1 . PHE 62 62 5863 1 . ALA 63 63 5863 1 . ASP 64 64 5863 1 . LYS 65 65 5863 1 . SER 66 66 5863 1 . LYS 67 67 5863 1 . LEU 68 68 5863 1 . SER 69 69 5863 1 . ASP 70 70 5863 1 . GLN 71 71 5863 1 . GLU 72 72 5863 1 . ILE 73 73 5863 1 . GLU 74 74 5863 1 . GLN 75 75 5863 1 . THR 76 76 5863 1 . LEU 77 77 5863 1 . GLN 78 78 5863 1 . ALA 79 79 5863 1 . PHE 80 80 5863 1 . GLU 81 81 5863 1 . ALA 82 82 5863 1 . ARG 83 83 5863 1 . VAL 84 84 5863 1 . LYS 85 85 5863 1 . SER 86 86 5863 1 . SER 87 87 5863 1 . ALA 88 88 5863 1 . GLN 89 89 5863 1 . ALA 90 90 5863 1 . LYS 91 91 5863 1 . MET 92 92 5863 1 . GLU 93 93 5863 1 . LYS 94 94 5863 1 . ASP 95 95 5863 1 . ALA 96 96 5863 1 . ALA 97 97 5863 1 . ASP 98 98 5863 1 . ASN 99 99 5863 1 . GLU 100 100 5863 1 . ALA 101 101 5863 1 . LYS 102 102 5863 1 . GLY 103 103 5863 1 . LYS 104 104 5863 1 . GLU 105 105 5863 1 . TYR 106 106 5863 1 . ARG 107 107 5863 1 . GLU 108 108 5863 1 . LYS 109 109 5863 1 . PHE 110 110 5863 1 . ALA 111 111 5863 1 . LYS 112 112 5863 1 . GLU 113 113 5863 1 . LYS 114 114 5863 1 . GLY 115 115 5863 1 . VAL 116 116 5863 1 . LYS 117 117 5863 1 . THR 118 118 5863 1 . SER 119 119 5863 1 . SER 120 120 5863 1 . THR 121 121 5863 1 . GLY 122 122 5863 1 . LEU 123 123 5863 1 . VAL 124 124 5863 1 . TYR 125 125 5863 1 . GLN 126 126 5863 1 . VAL 127 127 5863 1 . VAL 128 128 5863 1 . GLU 129 129 5863 1 . ALA 130 130 5863 1 . GLY 131 131 5863 1 . LYS 132 132 5863 1 . GLY 133 133 5863 1 . GLU 134 134 5863 1 . ALA 135 135 5863 1 . PRO 136 136 5863 1 . LYS 137 137 5863 1 . ASP 138 138 5863 1 . SER 139 139 5863 1 . ASP 140 140 5863 1 . THR 141 141 5863 1 . VAL 142 142 5863 1 . VAL 143 143 5863 1 . VAL 144 144 5863 1 . ASN 145 145 5863 1 . TYR 146 146 5863 1 . LYS 147 147 5863 1 . GLY 148 148 5863 1 . THR 149 149 5863 1 . LEU 150 150 5863 1 . ILE 151 151 5863 1 . ASP 152 152 5863 1 . GLY 153 153 5863 1 . LYS 154 154 5863 1 . GLU 155 155 5863 1 . PHE 156 156 5863 1 . ASP 157 157 5863 1 . ASN 158 158 5863 1 . SER 159 159 5863 1 . TYR 160 160 5863 1 . THR 161 161 5863 1 . ARG 162 162 5863 1 . GLY 163 163 5863 1 . GLU 164 164 5863 1 . PRO 165 165 5863 1 . LEU 166 166 5863 1 . SER 167 167 5863 1 . PHE 168 168 5863 1 . ARG 169 169 5863 1 . LEU 170 170 5863 1 . ASP 171 171 5863 1 . GLY 172 172 5863 1 . VAL 173 173 5863 1 . ILE 174 174 5863 1 . PRO 175 175 5863 1 . GLY 176 176 5863 1 . TRP 177 177 5863 1 . THR 178 178 5863 1 . GLU 179 179 5863 1 . GLY 180 180 5863 1 . LEU 181 181 5863 1 . LYS 182 182 5863 1 . ASN 183 183 5863 1 . ILE 184 184 5863 1 . LYS 185 185 5863 1 . LYS 186 186 5863 1 . GLY 187 187 5863 1 . GLY 188 188 5863 1 . LYS 189 189 5863 1 . ILE 190 190 5863 1 . LYS 191 191 5863 1 . LEU 192 192 5863 1 . VAL 193 193 5863 1 . ILE 194 194 5863 1 . PRO 195 195 5863 1 . PRO 196 196 5863 1 . GLU 197 197 5863 1 . LEU 198 198 5863 1 . ALA 199 199 5863 1 . TYR 200 200 5863 1 . GLY 201 201 5863 1 . LYS 202 202 5863 1 . ALA 203 203 5863 1 . GLY 204 204 5863 1 . VAL 205 205 5863 1 . PRO 206 206 5863 1 . GLY 207 207 5863 1 . ILE 208 208 5863 1 . PRO 209 209 5863 1 . PRO 210 210 5863 1 . ASN 211 211 5863 1 . SER 212 212 5863 1 . THR 213 213 5863 1 . LEU 214 214 5863 1 . VAL 215 215 5863 1 . PHE 216 216 5863 1 . ASP 217 217 5863 1 . VAL 218 218 5863 1 . GLU 219 219 5863 1 . LEU 220 220 5863 1 . LEU 221 221 5863 1 . ASP 222 222 5863 1 . VAL 223 223 5863 1 . LYS 224 224 5863 1 . PRO 225 225 5863 1 . ALA 226 226 5863 1 . PRO 227 227 5863 1 . LYS 228 228 5863 1 . ALA 229 229 5863 1 . ASP 230 230 5863 1 . ALA 231 231 5863 1 . LYS 232 232 5863 1 . PRO 233 233 5863 1 . GLU 234 234 5863 1 . ALA 235 235 5863 1 . ASP 236 236 5863 1 . ALA 237 237 5863 1 . LYS 238 238 5863 1 . ALA 239 239 5863 1 . ALA 240 240 5863 1 . ASP 241 241 5863 1 . SER 242 242 5863 1 . ALA 243 243 5863 1 . LYS 244 244 5863 1 . LYS 245 245 5863 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 5863 _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 $FkpA . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli SB536 . . . . . . . . . . . . . . . . . . . . 5863 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 5863 _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 $FkpA . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . . . . . . . . . . . 5863 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5863 _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 FkpA '[U-99% 13C; U-99% 15N; U-98% 2H]' . . 1 $FkpA . . 0.6 0.5 1.0 mM . . . . 5863 1 2 'Mes buffer' . . . . . . . 20 . . mM . . . . 5863 1 3 NaCl . . . . . . . 50 . . mM . . . . 5863 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5863 _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 FkpA '[U-99% 13C; U-99% 15N; U-98% 2H]' . . 1 $FkpA . . 0.5 0.4 0.8 mM . . . . 5863 2 2 'Mes buffer' . . . . . . . 20 . . mM . . . . 5863 2 3 NaCl . . . . . . . 20 . . mM . . . . 5863 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 5863 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The sample was equilibrated under these conditions before the spectra were collected. ; 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 6.0 0.2 n/a 5863 1 temperature 310 1 K 5863 1 'ionic strength' 0.02 . M 5863 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5863 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . 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 5863 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5863 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5863 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5863 _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 Bruker Avance . 600 . . . 5863 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 5863 1 3 NMR_spectrometer_3 Bruker Avance . 900 . . . 5863 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 5863 _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 'Bruker Avance 600 MHz spectrometer equipped with a TXI cryogenic probehead.' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5863 1 2 '3D TROSY-versions of HNCA, HNCACB, HNCO and HN(CA)CO run in the high' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5863 1 3 'resolution mode, utilizing both N->C and C->N polarization transfer periods to' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5863 1 4 'maximize spectral resolution along the 15N dimension.' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5863 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_1 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_2 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_3 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_4 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_1 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_2 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_3 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_4 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_1 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_2 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_3 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_4 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_1 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_2 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_3 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_4 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__5_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_1 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__5_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_2 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 22 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__5_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_3 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 23 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__5_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_4 _NMR_spec_expt.Entry_ID 5863 _NMR_spec_expt.ID 24 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5863 _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 . . . . . . . . . 5863 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5863 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5863 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 5863 _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 . _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 . 5863 1 . . 2 $sample_2 . 5863 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 GLU CA C 13 55.50 0.1 . 1 . . . . . . . . 5863 1 2 . 1 1 2 2 GLU C C 13 176.132 0.1 . 1 . . . . . . . . 5863 1 3 . 1 1 2 2 GLU CB C 13 29.20 0.1 . 1 . . . . . . . . 5863 1 4 . 1 1 3 3 ALA H H 1 8.415 0.02 . 1 . . . . . . . . 5863 1 5 . 1 1 3 3 ALA N N 15 126.499 0.1 . 1 . . . . . . . . 5863 1 6 . 1 1 3 3 ALA CA C 13 51.62 0.1 . 1 . . . . . . . . 5863 1 7 . 1 1 3 3 ALA C C 13 177.357 0.1 . 1 . . . . . . . . 5863 1 8 . 1 1 3 3 ALA CB C 13 18.52 0.1 . 1 . . . . . . . . 5863 1 9 . 1 1 4 4 ALA H H 1 8.239 0.02 . 1 . . . . . . . . 5863 1 10 . 1 1 4 4 ALA N N 15 124.187 0.1 . 1 . . . . . . . . 5863 1 11 . 1 1 4 4 ALA CA C 13 51.62 0.1 . 1 . . . . . . . . 5863 1 12 . 1 1 4 4 ALA C C 13 177.478 0.1 . 1 . . . . . . . . 5863 1 13 . 1 1 4 4 ALA CB C 13 18.52 0.1 . 1 . . . . . . . . 5863 1 14 . 1 1 5 5 LYS H H 1 8.255 0.02 . 1 . . . . . . . . 5863 1 15 . 1 1 5 5 LYS N N 15 122.645 0.1 . 1 . . . . . . . . 5863 1 16 . 1 1 5 5 LYS CA C 13 53.50 0.1 . 1 . . . . . . . . 5863 1 17 . 1 1 5 5 LYS C C 13 174.725 0.1 . 1 . . . . . . . . 5863 1 18 . 1 1 5 5 LYS CB C 13 31.47 0.1 . 1 . . . . . . . . 5863 1 19 . 1 1 6 6 PRO CA C 13 62.32 0.1 . 1 . . . . . . . . 5863 1 20 . 1 1 6 6 PRO C C 13 176.835 0.1 . 1 . . . . . . . . 5863 1 21 . 1 1 6 6 PRO CB C 13 30.92 0.1 . 1 . . . . . . . . 5863 1 22 . 1 1 7 7 ALA H H 1 8.412 0.02 . 1 . . . . . . . . 5863 1 23 . 1 1 7 7 ALA N N 15 124.958 0.1 . 1 . . . . . . . . 5863 1 24 . 1 1 7 7 ALA CA C 13 52.06 0.1 . 1 . . . . . . . . 5863 1 25 . 1 1 7 7 ALA C C 13 178.101 0.1 . 1 . . . . . . . . 5863 1 26 . 1 1 7 7 ALA CB C 13 18.41 0.1 . 1 . . . . . . . . 5863 1 27 . 1 1 8 8 THR H H 1 8.042 0.02 . 1 . . . . . . . . 5863 1 28 . 1 1 8 8 THR N N 15 113.589 0.1 . 1 . . . . . . . . 5863 1 29 . 1 1 8 8 THR CA C 13 60.59 0.1 . 1 . . . . . . . . 5863 1 30 . 1 1 8 8 THR C C 13 174.565 0.1 . 1 . . . . . . . . 5863 1 31 . 1 1 8 8 THR CB C 13 69.56 0.1 . 1 . . . . . . . . 5863 1 32 . 1 1 9 9 ALA H H 1 8.280 0.02 . 1 . . . . . . . . 5863 1 33 . 1 1 9 9 ALA N N 15 126.692 0.1 . 1 . . . . . . . . 5863 1 34 . 1 1 9 9 ALA CA C 13 52.29 0.1 . 1 . . . . . . . . 5863 1 35 . 1 1 9 9 ALA C C 13 177.799 0.1 . 1 . . . . . . . . 5863 1 36 . 1 1 9 9 ALA CB C 13 18.41 0.1 . 1 . . . . . . . . 5863 1 37 . 1 1 10 10 ALA H H 1 8.132 0.02 . 1 . . . . . . . . 5863 1 38 . 1 1 10 10 ALA N N 15 122.969 0.1 . 1 . . . . . . . . 5863 1 39 . 1 1 10 10 ALA CA C 13 52.29 0.1 . 1 . . . . . . . . 5863 1 40 . 1 1 10 10 ALA C C 13 177.853 0.1 . 1 . . . . . . . . 5863 1 41 . 1 1 10 10 ALA CB C 13 18.41 0.1 . 1 . . . . . . . . 5863 1 42 . 1 1 11 11 ASP H H 1 8.075 0.02 . 1 . . . . . . . . 5863 1 43 . 1 1 11 11 ASP N N 15 119.376 0.1 . 1 . . . . . . . . 5863 1 44 . 1 1 11 11 ASP CA C 13 53.76 0.1 . 1 . . . . . . . . 5863 1 45 . 1 1 11 11 ASP C C 13 176.427 0.1 . 1 . . . . . . . . 5863 1 46 . 1 1 11 11 ASP CB C 13 40.47 0.1 . 1 . . . . . . . . 5863 1 47 . 1 1 12 12 SER H H 1 8.129 0.02 . 1 . . . . . . . . 5863 1 48 . 1 1 12 12 SER N N 15 117.190 0.1 . 1 . . . . . . . . 5863 1 49 . 1 1 12 12 SER CA C 13 58.40 0.1 . 1 . . . . . . . . 5863 1 50 . 1 1 12 12 SER C C 13 174.920 0.1 . 1 . . . . . . . . 5863 1 51 . 1 1 12 12 SER CB C 13 62.72 0.1 . 1 . . . . . . . . 5863 1 52 . 1 1 13 13 LYS H H 1 8.257 0.02 . 1 . . . . . . . . 5863 1 53 . 1 1 13 13 LYS N N 15 123.279 0.1 . 1 . . . . . . . . 5863 1 54 . 1 1 13 13 LYS CA C 13 55.96 0.1 . 1 . . . . . . . . 5863 1 55 . 1 1 13 13 LYS C C 13 176.487 0.1 . 1 . . . . . . . . 5863 1 56 . 1 1 13 13 LYS CB C 13 31.56 0.1 . 1 . . . . . . . . 5863 1 57 . 1 1 14 14 ALA H H 1 7.957 0.02 . 1 . . . . . . . . 5863 1 58 . 1 1 14 14 ALA N N 15 124.520 0.1 . 1 . . . . . . . . 5863 1 59 . 1 1 14 14 ALA CA C 13 51.73 0.1 . 1 . . . . . . . . 5863 1 60 . 1 1 14 14 ALA C C 13 177.150 0.1 . 1 . . . . . . . . 5863 1 61 . 1 1 14 14 ALA CB C 13 18.32 0.1 . 1 . . . . . . . . 5863 1 62 . 1 1 15 15 ALA H H 1 7.845 0.02 . 1 . . . . . . . . 5863 1 63 . 1 1 15 15 ALA N N 15 123.539 0.1 . 1 . . . . . . . . 5863 1 64 . 1 1 15 15 ALA CA C 13 52.00 0.1 . 1 . . . . . . . . 5863 1 65 . 1 1 15 15 ALA C C 13 176.929 0.1 . 1 . . . . . . . . 5863 1 66 . 1 1 15 15 ALA CB C 13 18.95 0.1 . 1 . . . . . . . . 5863 1 67 . 1 1 16 16 PHE H H 1 7.721 0.02 . 1 . . . . . . . . 5863 1 68 . 1 1 16 16 PHE N N 15 116.683 0.1 . 1 . . . . . . . . 5863 1 69 . 1 1 16 16 PHE CA C 13 56.46 0.1 . 1 . . . . . . . . 5863 1 70 . 1 1 16 16 PHE C C 13 176.246 0.1 . 1 . . . . . . . . 5863 1 71 . 1 1 16 16 PHE CB C 13 40.42 0.1 . 1 . . . . . . . . 5863 1 72 . 1 1 17 17 LYS H H 1 8.705 0.02 . 1 . . . . . . . . 5863 1 73 . 1 1 17 17 LYS N N 15 121.974 0.1 . 1 . . . . . . . . 5863 1 74 . 1 1 17 17 LYS CA C 13 57.24 0.1 . 1 . . . . . . . . 5863 1 75 . 1 1 17 17 LYS C C 13 176.266 0.1 . 1 . . . . . . . . 5863 1 76 . 1 1 17 17 LYS CB C 13 33.01 0.1 . 1 . . . . . . . . 5863 1 77 . 1 1 18 18 ASN H H 1 7.439 0.02 . 1 . . . . . . . . 5863 1 78 . 1 1 18 18 ASN N N 15 110.636 0.1 . 1 . . . . . . . . 5863 1 79 . 1 1 18 18 ASN CA C 13 51.87 0.1 . 1 . . . . . . . . 5863 1 80 . 1 1 18 18 ASN C C 13 175.663 0.1 . 1 . . . . . . . . 5863 1 81 . 1 1 18 18 ASN CB C 13 39.49 0.1 . 1 . . . . . . . . 5863 1 82 . 1 1 19 19 ASP H H 1 8.764 0.02 . 1 . . . . . . . . 5863 1 83 . 1 1 19 19 ASP N N 15 120.076 0.1 . 1 . . . . . . . . 5863 1 84 . 1 1 19 19 ASP CA C 13 56.71 0.1 . 1 . . . . . . . . 5863 1 85 . 1 1 19 19 ASP C C 13 178.456 0.1 . 1 . . . . . . . . 5863 1 86 . 1 1 19 19 ASP CB C 13 40.15 0.1 . 1 . . . . . . . . 5863 1 87 . 1 1 20 20 ASP H H 1 8.327 0.02 . 1 . . . . . . . . 5863 1 88 . 1 1 20 20 ASP N N 15 123.946 0.1 . 1 . . . . . . . . 5863 1 89 . 1 1 20 20 ASP CA C 13 57.47 0.1 . 1 . . . . . . . . 5863 1 90 . 1 1 20 20 ASP C C 13 179.862 0.1 . 1 . . . . . . . . 5863 1 91 . 1 1 20 20 ASP CB C 13 39.10 0.1 . 1 . . . . . . . . 5863 1 92 . 1 1 21 21 GLN H H 1 8.205 0.02 . 1 . . . . . . . . 5863 1 93 . 1 1 21 21 GLN N N 15 121.498 0.1 . 1 . . . . . . . . 5863 1 94 . 1 1 21 21 GLN CA C 13 59.19 0.1 . 1 . . . . . . . . 5863 1 95 . 1 1 21 21 GLN C C 13 177.110 0.1 . 1 . . . . . . . . 5863 1 96 . 1 1 21 21 GLN CB C 13 29.42 0.1 . 1 . . . . . . . . 5863 1 97 . 1 1 22 22 LYS H H 1 7.445 0.02 . 1 . . . . . . . . 5863 1 98 . 1 1 22 22 LYS N N 15 119.533 0.1 . 1 . . . . . . . . 5863 1 99 . 1 1 22 22 LYS CA C 13 59.19 0.1 . 1 . . . . . . . . 5863 1 100 . 1 1 22 22 LYS C C 13 178.134 0.1 . 1 . . . . . . . . 5863 1 101 . 1 1 22 22 LYS CB C 13 32.25 0.1 . 1 . . . . . . . . 5863 1 102 . 1 1 23 23 SER H H 1 8.252 0.02 . 1 . . . . . . . . 5863 1 103 . 1 1 23 23 SER N N 15 114.546 0.1 . 1 . . . . . . . . 5863 1 104 . 1 1 23 23 SER CA C 13 62.40 0.1 . 1 . . . . . . . . 5863 1 105 . 1 1 23 23 SER C C 13 174.599 0.1 . 1 . . . . . . . . 5863 1 106 . 1 1 24 24 ALA H H 1 7.086 0.02 . 1 . . . . . . . . 5863 1 107 . 1 1 24 24 ALA N N 15 122.514 0.1 . 1 . . . . . . . . 5863 1 108 . 1 1 24 24 ALA CA C 13 54.68 0.1 . 1 . . . . . . . . 5863 1 109 . 1 1 24 24 ALA C C 13 178.174 0.1 . 1 . . . . . . . . 5863 1 110 . 1 1 24 24 ALA CB C 13 19.41 0.1 . 1 . . . . . . . . 5863 1 111 . 1 1 25 25 TYR H H 1 7.854 0.02 . 1 . . . . . . . . 5863 1 112 . 1 1 25 25 TYR N N 15 118.596 0.1 . 1 . . . . . . . . 5863 1 113 . 1 1 25 25 TYR CA C 13 61.28 0.1 . 1 . . . . . . . . 5863 1 114 . 1 1 25 25 TYR C C 13 177.973 0.1 . 1 . . . . . . . . 5863 1 115 . 1 1 25 25 TYR CB C 13 38.50 0.1 . 1 . . . . . . . . 5863 1 116 . 1 1 26 26 ALA H H 1 8.502 0.02 . 1 . . . . . . . . 5863 1 117 . 1 1 26 26 ALA N N 15 120.034 0.1 . 1 . . . . . . . . 5863 1 118 . 1 1 26 26 ALA CA C 13 55.03 0.1 . 1 . . . . . . . . 5863 1 119 . 1 1 26 26 ALA C C 13 178.978 0.1 . 1 . . . . . . . . 5863 1 120 . 1 1 26 26 ALA CB C 13 17.35 0.1 . 1 . . . . . . . . 5863 1 121 . 1 1 27 27 LEU H H 1 8.073 0.02 . 1 . . . . . . . . 5863 1 122 . 1 1 27 27 LEU N N 15 120.009 0.1 . 1 . . . . . . . . 5863 1 123 . 1 1 27 27 LEU CA C 13 57.99 0.1 . 1 . . . . . . . . 5863 1 124 . 1 1 27 27 LEU C C 13 175.081 0.1 . 1 . . . . . . . . 5863 1 125 . 1 1 27 27 LEU CB C 13 40.87 0.1 . 1 . . . . . . . . 5863 1 126 . 1 1 28 28 GLY H H 1 8.104 0.02 . 1 . . . . . . . . 5863 1 127 . 1 1 28 28 GLY N N 15 108.026 0.1 . 1 . . . . . . . . 5863 1 128 . 1 1 28 28 GLY CA C 13 47.46 0.1 . 1 . . . . . . . . 5863 1 129 . 1 1 28 28 GLY C C 13 175.041 0.1 . 1 . . . . . . . . 5863 1 130 . 1 1 29 29 ALA H H 1 9.907 0.02 . 1 . . . . . . . . 5863 1 131 . 1 1 29 29 ALA N N 15 125.526 0.1 . 1 . . . . . . . . 5863 1 132 . 1 1 29 29 ALA CA C 13 53.98 0.1 . 1 . . . . . . . . 5863 1 133 . 1 1 29 29 ALA C C 13 180.364 0.1 . 1 . . . . . . . . 5863 1 134 . 1 1 29 29 ALA CB C 13 16.85 0.1 . 1 . . . . . . . . 5863 1 135 . 1 1 31 31 LEU CA C 13 57.60 0.1 . 1 . . . . . . . . 5863 1 136 . 1 1 31 31 LEU C C 13 179.480 0.1 . 1 . . . . . . . . 5863 1 137 . 1 1 32 32 GLY H H 1 8.982 0.02 . 1 . . . . . . . . 5863 1 138 . 1 1 32 32 GLY N N 15 107.901 0.1 . 1 . . . . . . . . 5863 1 139 . 1 1 32 32 GLY CA C 13 47.34 0.1 . 1 . . . . . . . . 5863 1 140 . 1 1 32 32 GLY C C 13 175.302 0.1 . 1 . . . . . . . . 5863 1 141 . 1 1 33 33 ARG H H 1 8.531 0.02 . 1 . . . . . . . . 5863 1 142 . 1 1 33 33 ARG N N 15 122.429 0.1 . 1 . . . . . . . . 5863 1 143 . 1 1 33 33 ARG CA C 13 58.02 0.1 . 1 . . . . . . . . 5863 1 144 . 1 1 33 33 ARG C C 13 178.717 0.1 . 1 . . . . . . . . 5863 1 145 . 1 1 33 33 ARG CB C 13 28.57 0.1 . 1 . . . . . . . . 5863 1 146 . 1 1 34 34 TYR H H 1 7.933 0.02 . 1 . . . . . . . . 5863 1 147 . 1 1 34 34 TYR N N 15 121.439 0.1 . 1 . . . . . . . . 5863 1 148 . 1 1 34 34 TYR CA C 13 61.15 0.1 . 1 . . . . . . . . 5863 1 149 . 1 1 34 34 TYR C C 13 177.110 0.1 . 1 . . . . . . . . 5863 1 150 . 1 1 34 34 TYR CB C 13 37.95 0.1 . 1 . . . . . . . . 5863 1 151 . 1 1 36 36 GLU CA C 13 55.78 0.1 . 1 . . . . . . . . 5863 1 152 . 1 1 36 36 GLU C C 13 176.667 0.1 . 1 . . . . . . . . 5863 1 153 . 1 1 36 36 GLU CB C 13 32.38 0.1 . 1 . . . . . . . . 5863 1 154 . 1 1 37 37 ASN H H 1 8.265 0.02 . 1 . . . . . . . . 5863 1 155 . 1 1 37 37 ASN N N 15 121.695 0.1 . 1 . . . . . . . . 5863 1 156 . 1 1 37 37 ASN CA C 13 54.04 0.1 . 1 . . . . . . . . 5863 1 157 . 1 1 37 37 ASN C C 13 176.507 0.1 . 1 . . . . . . . . 5863 1 158 . 1 1 37 37 ASN CB C 13 40.87 0.1 . 1 . . . . . . . . 5863 1 159 . 1 1 38 38 SER H H 1 8.806 0.02 . 1 . . . . . . . . 5863 1 160 . 1 1 38 38 SER N N 15 115.562 0.1 . 1 . . . . . . . . 5863 1 161 . 1 1 38 38 SER CA C 13 58.06 0.1 . 1 . . . . . . . . 5863 1 162 . 1 1 38 38 SER C C 13 174.478 0.1 . 1 . . . . . . . . 5863 1 163 . 1 1 38 38 SER CB C 13 63.69 0.1 . 1 . . . . . . . . 5863 1 164 . 1 1 39 39 LEU H H 1 8.263 0.02 . 1 . . . . . . . . 5863 1 165 . 1 1 39 39 LEU N N 15 122.609 0.1 . 1 . . . . . . . . 5863 1 166 . 1 1 39 39 LEU CA C 13 54.44 0.1 . 1 . . . . . . . . 5863 1 167 . 1 1 39 39 LEU C C 13 176.366 0.1 . 1 . . . . . . . . 5863 1 168 . 1 1 39 39 LEU CB C 13 40.88 0.1 . 1 . . . . . . . . 5863 1 169 . 1 1 40 40 LYS H H 1 8.134 0.02 . 1 . . . . . . . . 5863 1 170 . 1 1 40 40 LYS N N 15 121.908 0.1 . 1 . . . . . . . . 5863 1 171 . 1 1 40 40 LYS CA C 13 56.55 0.1 . 1 . . . . . . . . 5863 1 172 . 1 1 40 40 LYS C C 13 180.284 0.1 . 1 . . . . . . . . 5863 1 173 . 1 1 40 40 LYS CB C 13 29.42 0.1 . 1 . . . . . . . . 5863 1 174 . 1 1 42 42 GLN CA C 13 58.08 0.1 . 1 . . . . . . . . 5863 1 175 . 1 1 42 42 GLN C C 13 177.15 0.1 . 1 . . . . . . . . 5863 1 176 . 1 1 42 42 GLN CB C 13 28.56 0.1 . 1 . . . . . . . . 5863 1 177 . 1 1 43 43 GLU H H 1 8.339 0.02 . 1 . . . . . . . . 5863 1 178 . 1 1 43 43 GLU N N 15 121.905 0.1 . 1 . . . . . . . . 5863 1 179 . 1 1 43 43 GLU CA C 13 59.51 0.1 . 1 . . . . . . . . 5863 1 180 . 1 1 43 43 GLU C C 13 181.288 0.1 . 1 . . . . . . . . 5863 1 181 . 1 1 43 43 GLU CB C 13 32.58 0.1 . 1 . . . . . . . . 5863 1 182 . 1 1 44 44 LYS H H 1 7.446 0.02 . 1 . . . . . . . . 5863 1 183 . 1 1 44 44 LYS N N 15 120.324 0.1 . 1 . . . . . . . . 5863 1 184 . 1 1 44 44 LYS CA C 13 58.60 0.1 . 1 . . . . . . . . 5863 1 185 . 1 1 44 44 LYS C C 13 177.893 0.1 . 1 . . . . . . . . 5863 1 186 . 1 1 44 44 LYS CB C 13 31.59 0.1 . 1 . . . . . . . . 5863 1 187 . 1 1 45 45 LEU H H 1 7.390 0.02 . 1 . . . . . . . . 5863 1 188 . 1 1 45 45 LEU N N 15 117.073 0.1 . 1 . . . . . . . . 5863 1 189 . 1 1 45 45 LEU CA C 13 53.82 0.1 . 1 . . . . . . . . 5863 1 190 . 1 1 45 45 LEU C C 13 177.190 0.1 . 1 . . . . . . . . 5863 1 191 . 1 1 45 45 LEU CB C 13 41.66 0.1 . 1 . . . . . . . . 5863 1 192 . 1 1 46 46 GLY H H 1 7.839 0.02 . 1 . . . . . . . . 5863 1 193 . 1 1 46 46 GLY N N 15 107.025 0.1 . 1 . . . . . . . . 5863 1 194 . 1 1 46 46 GLY CA C 13 44.91 0.1 . 1 . . . . . . . . 5863 1 195 . 1 1 46 46 GLY C C 13 173.835 0.1 . 1 . . . . . . . . 5863 1 196 . 1 1 47 47 ILE H H 1 7.507 0.02 . 1 . . . . . . . . 5863 1 197 . 1 1 47 47 ILE N N 15 123.157 0.1 . 1 . . . . . . . . 5863 1 198 . 1 1 47 47 ILE CA C 13 60.37 0.1 . 1 . . . . . . . . 5863 1 199 . 1 1 47 47 ILE C C 13 174.177 0.1 . 1 . . . . . . . . 5863 1 200 . 1 1 47 47 ILE CB C 13 38.24 0.1 . 1 . . . . . . . . 5863 1 201 . 1 1 48 48 LYS H H 1 8.572 0.02 . 1 . . . . . . . . 5863 1 202 . 1 1 48 48 LYS N N 15 130.391 0.1 . 1 . . . . . . . . 5863 1 203 . 1 1 48 48 LYS CA C 13 54.17 0.1 . 1 . . . . . . . . 5863 1 204 . 1 1 48 48 LYS C C 13 175.422 0.1 . 1 . . . . . . . . 5863 1 205 . 1 1 48 48 LYS CB C 13 32.18 0.1 . 1 . . . . . . . . 5863 1 206 . 1 1 49 49 LEU H H 1 8.359 0.02 . 1 . . . . . . . . 5863 1 207 . 1 1 49 49 LEU N N 15 124.658 0.1 . 1 . . . . . . . . 5863 1 208 . 1 1 49 49 LEU CA C 13 53.47 0.1 . 1 . . . . . . . . 5863 1 209 . 1 1 49 49 LEU C C 13 176.333 0.1 . 1 . . . . . . . . 5863 1 210 . 1 1 49 49 LEU CB C 13 42.52 0.1 . 1 . . . . . . . . 5863 1 211 . 1 1 50 50 ASP H H 1 7.721 0.02 . 1 . . . . . . . . 5863 1 212 . 1 1 50 50 ASP N N 15 121.278 0.1 . 1 . . . . . . . . 5863 1 213 . 1 1 50 50 ASP CA C 13 53.62 0.1 . 1 . . . . . . . . 5863 1 214 . 1 1 50 50 ASP C C 13 176.875 0.1 . 1 . . . . . . . . 5863 1 215 . 1 1 50 50 ASP CB C 13 41.66 0.1 . 1 . . . . . . . . 5863 1 216 . 1 1 51 51 LYS H H 1 8.606 0.02 . 1 . . . . . . . . 5863 1 217 . 1 1 51 51 LYS N N 15 128.494 0.1 . 1 . . . . . . . . 5863 1 218 . 1 1 51 51 LYS CA C 13 59.44 0.1 . 1 . . . . . . . . 5863 1 219 . 1 1 51 51 LYS C C 13 177.893 0.1 . 1 . . . . . . . . 5863 1 220 . 1 1 51 51 LYS CB C 13 31.85 0.1 . 1 . . . . . . . . 5863 1 221 . 1 1 52 52 ASP H H 1 8.157 0.02 . 1 . . . . . . . . 5863 1 222 . 1 1 52 52 ASP N N 15 118.621 0.1 . 1 . . . . . . . . 5863 1 223 . 1 1 52 52 ASP CA C 13 56.94 0.1 . 1 . . . . . . . . 5863 1 224 . 1 1 52 52 ASP C C 13 180.163 0.1 . 1 . . . . . . . . 5863 1 225 . 1 1 52 52 ASP CB C 13 39.62 0.1 . 1 . . . . . . . . 5863 1 226 . 1 1 53 53 GLN H H 1 7.780 0.02 . 1 . . . . . . . . 5863 1 227 . 1 1 53 53 GLN N N 15 120.259 0.1 . 1 . . . . . . . . 5863 1 228 . 1 1 53 53 GLN CA C 13 56.94 0.1 . 1 . . . . . . . . 5863 1 229 . 1 1 53 53 GLN C C 13 177.672 0.1 . 1 . . . . . . . . 5863 1 230 . 1 1 53 53 GLN CB C 13 28.29 0.1 . 1 . . . . . . . . 5863 1 231 . 1 1 54 54 LEU H H 1 7.356 0.02 . 1 . . . . . . . . 5863 1 232 . 1 1 54 54 LEU N N 15 121.773 0.1 . 1 . . . . . . . . 5863 1 233 . 1 1 54 54 LEU CA C 13 58.45 0.1 . 1 . . . . . . . . 5863 1 234 . 1 1 54 54 LEU C C 13 179.153 0.1 . 1 . . . . . . . . 5863 1 235 . 1 1 54 54 LEU CB C 13 41.73 0.1 . 1 . . . . . . . . 5863 1 236 . 1 1 55 55 ILE H H 1 7.624 0.02 . 1 . . . . . . . . 5863 1 237 . 1 1 55 55 ILE N N 15 117.478 0.1 . 1 . . . . . . . . 5863 1 238 . 1 1 55 55 ILE CA C 13 62.74 0.1 . 1 . . . . . . . . 5863 1 239 . 1 1 55 55 ILE C C 13 177.391 0.1 . 1 . . . . . . . . 5863 1 240 . 1 1 55 55 ILE CB C 13 36.46 0.1 . 1 . . . . . . . . 5863 1 241 . 1 1 56 56 ALA H H 1 7.694 0.02 . 1 . . . . . . . . 5863 1 242 . 1 1 56 56 ALA N N 15 124.378 0.1 . 1 . . . . . . . . 5863 1 243 . 1 1 56 56 ALA CA C 13 54.88 0.1 . 1 . . . . . . . . 5863 1 244 . 1 1 56 56 ALA C C 13 179.460 0.1 . 1 . . . . . . . . 5863 1 245 . 1 1 56 56 ALA CB C 13 18.70 0.1 . 1 . . . . . . . . 5863 1 246 . 1 1 57 57 GLY H H 1 7.924 0.02 . 1 . . . . . . . . 5863 1 247 . 1 1 57 57 GLY N N 15 106.179 0.1 . 1 . . . . . . . . 5863 1 248 . 1 1 57 57 GLY CA C 13 46.48 0.1 . 1 . . . . . . . . 5863 1 249 . 1 1 57 57 GLY C C 13 175.683 0.1 . 1 . . . . . . . . 5863 1 250 . 1 1 58 58 VAL H H 1 7.368 0.02 . 1 . . . . . . . . 5863 1 251 . 1 1 58 58 VAL N N 15 121.445 0.1 . 1 . . . . . . . . 5863 1 252 . 1 1 58 58 VAL CA C 13 66.15 0.1 . 1 . . . . . . . . 5863 1 253 . 1 1 58 58 VAL C C 13 177.833 0.1 . 1 . . . . . . . . 5863 1 254 . 1 1 58 58 VAL CB C 13 31.07 0.1 . 1 . . . . . . . . 5863 1 255 . 1 1 59 59 GLN H H 1 8.299 0.02 . 1 . . . . . . . . 5863 1 256 . 1 1 59 59 GLN N N 15 117.300 0.1 . 1 . . . . . . . . 5863 1 257 . 1 1 59 59 GLN CA C 13 58.92 0.1 . 1 . . . . . . . . 5863 1 258 . 1 1 59 59 GLN C C 13 179.922 0.1 . 1 . . . . . . . . 5863 1 259 . 1 1 59 59 GLN CB C 13 28.23 0.1 . 1 . . . . . . . . 5863 1 260 . 1 1 60 60 ASP H H 1 8.997 0.02 . 1 . . . . . . . . 5863 1 261 . 1 1 60 60 ASP N N 15 120.502 0.1 . 1 . . . . . . . . 5863 1 262 . 1 1 60 60 ASP CA C 13 56.45 0.1 . 1 . . . . . . . . 5863 1 263 . 1 1 60 60 ASP C C 13 179.239 0.1 . 1 . . . . . . . . 5863 1 264 . 1 1 60 60 ASP CB C 13 38.61 0.1 . 1 . . . . . . . . 5863 1 265 . 1 1 61 61 ALA H H 1 8.079 0.02 . 1 . . . . . . . . 5863 1 266 . 1 1 61 61 ALA N N 15 122.915 0.1 . 1 . . . . . . . . 5863 1 267 . 1 1 61 61 ALA CA C 13 55.10 0.1 . 1 . . . . . . . . 5863 1 268 . 1 1 61 61 ALA C C 13 181.449 0.1 . 1 . . . . . . . . 5863 1 269 . 1 1 61 61 ALA CB C 13 18.98 0.1 . 1 . . . . . . . . 5863 1 270 . 1 1 62 62 PHE H H 1 8.144 0.02 . 1 . . . . . . . . 5863 1 271 . 1 1 62 62 PHE N N 15 118.938 0.1 . 1 . . . . . . . . 5863 1 272 . 1 1 62 62 PHE CA C 13 59.24 0.1 . 1 . . . . . . . . 5863 1 273 . 1 1 62 62 PHE C C 13 176.145 0.1 . 1 . . . . . . . . 5863 1 274 . 1 1 62 62 PHE CB C 13 38.24 0.1 . 1 . . . . . . . . 5863 1 275 . 1 1 63 63 ALA H H 1 7.368 0.02 . 1 . . . . . . . . 5863 1 276 . 1 1 63 63 ALA N N 15 119.906 0.1 . 1 . . . . . . . . 5863 1 277 . 1 1 63 63 ALA CA C 13 50.94 0.1 . 1 . . . . . . . . 5863 1 278 . 1 1 63 63 ALA C C 13 176.145 0.1 . 1 . . . . . . . . 5863 1 279 . 1 1 63 63 ALA CB C 13 19.01 0.1 . 1 . . . . . . . . 5863 1 280 . 1 1 64 64 ASP H H 1 7.866 0.02 . 1 . . . . . . . . 5863 1 281 . 1 1 64 64 ASP N N 15 117.809 0.1 . 1 . . . . . . . . 5863 1 282 . 1 1 64 64 ASP CA C 13 54.92 0.1 . 1 . . . . . . . . 5863 1 283 . 1 1 64 64 ASP C C 13 175.422 0.1 . 1 . . . . . . . . 5863 1 284 . 1 1 64 64 ASP CB C 13 38.93 0.1 . 1 . . . . . . . . 5863 1 285 . 1 1 65 65 LYS H H 1 8.409 0.02 . 1 . . . . . . . . 5863 1 286 . 1 1 65 65 LYS N N 15 117.759 0.1 . 1 . . . . . . . . 5863 1 287 . 1 1 65 65 LYS CA C 13 53.99 0.1 . 1 . . . . . . . . 5863 1 288 . 1 1 65 65 LYS C C 13 176.306 0.1 . 1 . . . . . . . . 5863 1 289 . 1 1 65 65 LYS CB C 13 32.52 0.1 . 1 . . . . . . . . 5863 1 290 . 1 1 66 66 SER H H 1 8.806 0.02 . 1 . . . . . . . . 5863 1 291 . 1 1 66 66 SER N N 15 114.176 0.1 . 1 . . . . . . . . 5863 1 292 . 1 1 66 66 SER CA C 13 58.93 0.1 . 1 . . . . . . . . 5863 1 293 . 1 1 66 66 SER C C 13 177.933 0.1 . 1 . . . . . . . . 5863 1 294 . 1 1 66 66 SER CB C 13 63.87 0.1 . 1 . . . . . . . . 5863 1 295 . 1 1 67 67 LYS H H 1 9.236 0.02 . 1 . . . . . . . . 5863 1 296 . 1 1 67 67 LYS N N 15 127.530 0.1 . 1 . . . . . . . . 5863 1 297 . 1 1 67 67 LYS CA C 13 57.55 0.1 . 1 . . . . . . . . 5863 1 298 . 1 1 67 67 LYS C C 13 175.603 0.1 . 1 . . . . . . . . 5863 1 299 . 1 1 67 67 LYS CB C 13 32.76 0.1 . 1 . . . . . . . . 5863 1 300 . 1 1 68 68 LEU H H 1 7.670 0.02 . 1 . . . . . . . . 5863 1 301 . 1 1 68 68 LEU N N 15 116.018 0.1 . 1 . . . . . . . . 5863 1 302 . 1 1 68 68 LEU CA C 13 51.95 0.1 . 1 . . . . . . . . 5863 1 303 . 1 1 68 68 LEU C C 13 176.909 0.1 . 1 . . . . . . . . 5863 1 304 . 1 1 68 68 LEU CB C 13 45.31 0.1 . 1 . . . . . . . . 5863 1 305 . 1 1 69 69 SER H H 1 9.526 0.02 . 1 . . . . . . . . 5863 1 306 . 1 1 69 69 SER N N 15 121.647 0.1 . 1 . . . . . . . . 5863 1 307 . 1 1 69 69 SER CA C 13 56.60 0.1 . 1 . . . . . . . . 5863 1 308 . 1 1 69 69 SER C C 13 174.297 0.1 . 1 . . . . . . . . 5863 1 309 . 1 1 69 69 SER CB C 13 64.24 0.1 . 1 . . . . . . . . 5863 1 310 . 1 1 70 70 ASP H H 1 9.036 0.02 . 1 . . . . . . . . 5863 1 311 . 1 1 70 70 ASP N N 15 122.332 0.1 . 1 . . . . . . . . 5863 1 312 . 1 1 70 70 ASP CA C 13 57.93 0.1 . 1 . . . . . . . . 5863 1 313 . 1 1 70 70 ASP C C 13 179.159 0.1 . 1 . . . . . . . . 5863 1 314 . 1 1 70 70 ASP CB C 13 38.67 0.1 . 1 . . . . . . . . 5863 1 315 . 1 1 71 71 GLN H H 1 8.422 0.02 . 1 . . . . . . . . 5863 1 316 . 1 1 71 71 GLN N N 15 119.872 0.1 . 1 . . . . . . . . 5863 1 317 . 1 1 71 71 GLN CA C 13 59.18 0.1 . 1 . . . . . . . . 5863 1 318 . 1 1 71 71 GLN C C 13 178.456 0.1 . 1 . . . . . . . . 5863 1 319 . 1 1 71 71 GLN CB C 13 27.83 0.1 . 1 . . . . . . . . 5863 1 320 . 1 1 72 72 GLU H H 1 7.763 0.02 . 1 . . . . . . . . 5863 1 321 . 1 1 72 72 GLU N N 15 121.054 0.1 . 1 . . . . . . . . 5863 1 322 . 1 1 72 72 GLU CA C 13 59.02 0.1 . 1 . . . . . . . . 5863 1 323 . 1 1 72 72 GLU C C 13 181.228 0.1 . 1 . . . . . . . . 5863 1 324 . 1 1 72 72 GLU CB C 13 30.17 0.1 . 1 . . . . . . . . 5863 1 325 . 1 1 73 73 ILE H H 1 8.864 0.02 . 1 . . . . . . . . 5863 1 326 . 1 1 73 73 ILE N N 15 124.615 0.1 . 1 . . . . . . . . 5863 1 327 . 1 1 73 73 ILE CA C 13 66.95 0.1 . 1 . . . . . . . . 5863 1 328 . 1 1 73 73 ILE C C 13 177.029 0.1 . 1 . . . . . . . . 5863 1 329 . 1 1 73 73 ILE CB C 13 37.45 0.1 . 1 . . . . . . . . 5863 1 330 . 1 1 74 74 GLU H H 1 7.793 0.02 . 1 . . . . . . . . 5863 1 331 . 1 1 74 74 GLU N N 15 119.579 0.1 . 1 . . . . . . . . 5863 1 332 . 1 1 74 74 GLU CA C 13 59.44 0.1 . 1 . . . . . . . . 5863 1 333 . 1 1 74 74 GLU C C 13 179.641 0.1 . 1 . . . . . . . . 5863 1 334 . 1 1 74 74 GLU CB C 13 28.94 0.1 . 1 . . . . . . . . 5863 1 335 . 1 1 75 75 GLN H H 1 8.275 0.02 . 1 . . . . . . . . 5863 1 336 . 1 1 75 75 GLN N N 15 118.235 0.1 . 1 . . . . . . . . 5863 1 337 . 1 1 75 75 GLN CA C 13 58.71 0.1 . 1 . . . . . . . . 5863 1 338 . 1 1 75 75 GLN C C 13 179.641 0.1 . 1 . . . . . . . . 5863 1 339 . 1 1 75 75 GLN CB C 13 28.30 0.1 . 1 . . . . . . . . 5863 1 340 . 1 1 76 76 THR H H 1 8.249 0.02 . 1 . . . . . . . . 5863 1 341 . 1 1 76 76 THR N N 15 118.525 0.1 . 1 . . . . . . . . 5863 1 342 . 1 1 76 76 THR CA C 13 66.95 0.1 . 1 . . . . . . . . 5863 1 343 . 1 1 76 76 THR C C 13 177.270 0.1 . 1 . . . . . . . . 5863 1 344 . 1 1 76 76 THR CB C 13 67.82 0.1 . 1 . . . . . . . . 5863 1 345 . 1 1 77 77 LEU H H 1 8.665 0.02 . 1 . . . . . . . . 5863 1 346 . 1 1 77 77 LEU N N 15 123.367 0.1 . 1 . . . . . . . . 5863 1 347 . 1 1 77 77 LEU CA C 13 57.99 0.1 . 1 . . . . . . . . 5863 1 348 . 1 1 77 77 LEU C C 13 179.601 0.1 . 1 . . . . . . . . 5863 1 349 . 1 1 77 77 LEU CB C 13 39.82 0.1 . 1 . . . . . . . . 5863 1 350 . 1 1 78 78 GLN H H 1 8.230 0.02 . 1 . . . . . . . . 5863 1 351 . 1 1 78 78 GLN N N 15 120.946 0.1 . 1 . . . . . . . . 5863 1 352 . 1 1 78 78 GLN CA C 13 59.18 0.1 . 1 . . . . . . . . 5863 1 353 . 1 1 78 78 GLN C C 13 179.440 0.1 . 1 . . . . . . . . 5863 1 354 . 1 1 78 78 GLN CB C 13 27.58 0.1 . 1 . . . . . . . . 5863 1 355 . 1 1 79 79 ALA H H 1 7.632 0.02 . 1 . . . . . . . . 5863 1 356 . 1 1 79 79 ALA N N 15 123.004 0.1 . 1 . . . . . . . . 5863 1 357 . 1 1 79 79 ALA CA C 13 54.36 0.1 . 1 . . . . . . . . 5863 1 358 . 1 1 79 79 ALA C C 13 180.525 0.1 . 1 . . . . . . . . 5863 1 359 . 1 1 79 79 ALA CB C 13 16.71 0.1 . 1 . . . . . . . . 5863 1 360 . 1 1 80 80 PHE H H 1 8.441 0.02 . 1 . . . . . . . . 5863 1 361 . 1 1 80 80 PHE N N 15 122.389 0.1 . 1 . . . . . . . . 5863 1 362 . 1 1 80 80 PHE CA C 13 60.94 0.1 . 1 . . . . . . . . 5863 1 363 . 1 1 80 80 PHE C C 13 176.893 0.1 . 1 . . . . . . . . 5863 1 364 . 1 1 80 80 PHE CB C 13 38.50 0.1 . 1 . . . . . . . . 5863 1 365 . 1 1 81 81 GLU H H 1 8.620 0.02 . 1 . . . . . . . . 5863 1 366 . 1 1 81 81 GLU N N 15 119.880 0.1 . 1 . . . . . . . . 5863 1 367 . 1 1 81 81 GLU CA C 13 59.24 0.1 . 1 . . . . . . . . 5863 1 368 . 1 1 81 81 GLU C C 13 178.964 0.1 . 1 . . . . . . . . 5863 1 369 . 1 1 81 81 GLU CB C 13 28.56 0.1 . 1 . . . . . . . . 5863 1 370 . 1 1 82 82 ALA H H 1 7.470 0.02 . 1 . . . . . . . . 5863 1 371 . 1 1 82 82 ALA N N 15 120.846 0.1 . 1 . . . . . . . . 5863 1 372 . 1 1 82 82 ALA CA C 13 54.44 0.1 . 1 . . . . . . . . 5863 1 373 . 1 1 82 82 ALA C C 13 180.344 0.1 . 1 . . . . . . . . 5863 1 374 . 1 1 82 82 ALA CB C 13 17.10 0.1 . 1 . . . . . . . . 5863 1 375 . 1 1 83 83 ARG H H 1 7.866 0.02 . 1 . . . . . . . . 5863 1 376 . 1 1 83 83 ARG N N 15 120.469 0.1 . 1 . . . . . . . . 5863 1 377 . 1 1 83 83 ARG CA C 13 58.60 0.1 . 1 . . . . . . . . 5863 1 378 . 1 1 83 83 ARG C C 13 175.081 0.1 . 1 . . . . . . . . 5863 1 379 . 1 1 83 83 ARG CB C 13 31.92 0.1 . 1 . . . . . . . . 5863 1 380 . 1 1 84 84 VAL CA C 13 62.73 0.1 . 1 . . . . . . . . 5863 1 381 . 1 1 84 84 VAL C C 13 177.082 0.1 . 1 . . . . . . . . 5863 1 382 . 1 1 84 84 VAL CB C 13 31.32 0.1 . 1 . . . . . . . . 5863 1 383 . 1 1 85 85 LYS H H 1 8.324 0.02 . 1 . . . . . . . . 5863 1 384 . 1 1 85 85 LYS N N 15 122.125 0.1 . 1 . . . . . . . . 5863 1 385 . 1 1 85 85 LYS CA C 13 55.82 0.1 . 1 . . . . . . . . 5863 1 386 . 1 1 85 85 LYS C C 13 176.808 0.1 . 1 . . . . . . . . 5863 1 387 . 1 1 85 85 LYS CB C 13 32.45 0.1 . 1 . . . . . . . . 5863 1 388 . 1 1 86 86 SER H H 1 7.720 0.02 . 1 . . . . . . . . 5863 1 389 . 1 1 86 86 SER N N 15 122.088 0.1 . 1 . . . . . . . . 5863 1 390 . 1 1 86 86 SER CA C 13 59.18 0.1 . 1 . . . . . . . . 5863 1 391 . 1 1 86 86 SER C C 13 175.904 0.1 . 1 . . . . . . . . 5863 1 392 . 1 1 86 86 SER CB C 13 64.58 0.1 . 1 . . . . . . . . 5863 1 393 . 1 1 87 87 SER H H 1 7.836 0.02 . 1 . . . . . . . . 5863 1 394 . 1 1 87 87 SER N N 15 123.600 0.1 . 1 . . . . . . . . 5863 1 395 . 1 1 87 87 SER CA C 13 59.44 0.1 . 1 . . . . . . . . 5863 1 396 . 1 1 87 87 SER CB C 13 64.68 0.1 . 1 . . . . . . . . 5863 1 397 . 1 1 89 89 GLN CA C 13 55.43 0.1 . 1 . . . . . . . . 5863 1 398 . 1 1 89 89 GLN C C 13 176.045 0.1 . 1 . . . . . . . . 5863 1 399 . 1 1 89 89 GLN CB C 13 30.08 0.1 . 1 . . . . . . . . 5863 1 400 . 1 1 90 90 ALA H H 1 8.229 0.02 . 1 . . . . . . . . 5863 1 401 . 1 1 90 90 ALA N N 15 127.066 0.1 . 1 . . . . . . . . 5863 1 402 . 1 1 90 90 ALA CA C 13 50.29 0.1 . 1 . . . . . . . . 5863 1 403 . 1 1 90 90 ALA C C 13 175.543 0.1 . 1 . . . . . . . . 5863 1 404 . 1 1 90 90 ALA CB C 13 17.89 0.1 . 1 . . . . . . . . 5863 1 405 . 1 1 91 91 LYS CA C 13 57.27 0.1 . 1 . . . . . . . . 5863 1 406 . 1 1 91 91 LYS C C 13 177.872 0.1 . 1 . . . . . . . . 5863 1 407 . 1 1 91 91 LYS CB C 13 32.05 0.1 . 1 . . . . . . . . 5863 1 408 . 1 1 92 92 MET H H 1 8.042 0.02 . 1 . . . . . . . . 5863 1 409 . 1 1 92 92 MET N N 15 122.297 0.1 . 1 . . . . . . . . 5863 1 410 . 1 1 92 92 MET CA C 13 53.99 0.1 . 1 . . . . . . . . 5863 1 411 . 1 1 92 92 MET C C 13 178.636 0.1 . 1 . . . . . . . . 5863 1 412 . 1 1 92 92 MET CB C 13 29.68 0.1 . 1 . . . . . . . . 5863 1 413 . 1 1 93 93 GLU H H 1 8.312 0.02 . 1 . . . . . . . . 5863 1 414 . 1 1 93 93 GLU N N 15 125.429 0.1 . 1 . . . . . . . . 5863 1 415 . 1 1 93 93 GLU CA C 13 56.02 0.1 . 1 . . . . . . . . 5863 1 416 . 1 1 93 93 GLU C C 13 176.748 0.1 . 1 . . . . . . . . 5863 1 417 . 1 1 93 93 GLU CB C 13 32.25 0.1 . 1 . . . . . . . . 5863 1 418 . 1 1 94 94 LYS H H 1 8.317 0.02 . 1 . . . . . . . . 5863 1 419 . 1 1 94 94 LYS N N 15 121.370 0.1 . 1 . . . . . . . . 5863 1 420 . 1 1 94 94 LYS CA C 13 56.68 0.1 . 1 . . . . . . . . 5863 1 421 . 1 1 94 94 LYS C C 13 177.411 0.1 . 1 . . . . . . . . 5863 1 422 . 1 1 94 94 LYS CB C 13 29.55 0.1 . 1 . . . . . . . . 5863 1 423 . 1 1 95 95 ASP H H 1 8.323 0.02 . 1 . . . . . . . . 5863 1 424 . 1 1 95 95 ASP N N 15 121.026 0.1 . 1 . . . . . . . . 5863 1 425 . 1 1 95 95 ASP CA C 13 55.23 0.1 . 1 . . . . . . . . 5863 1 426 . 1 1 95 95 ASP C C 13 177.307 0.1 . 1 . . . . . . . . 5863 1 427 . 1 1 95 95 ASP CB C 13 40.48 0.1 . 1 . . . . . . . . 5863 1 428 . 1 1 96 96 ALA H H 1 7.927 0.02 . 1 . . . . . . . . 5863 1 429 . 1 1 96 96 ALA N N 15 123.648 0.1 . 1 . . . . . . . . 5863 1 430 . 1 1 96 96 ALA CA C 13 52.92 0.1 . 1 . . . . . . . . 5863 1 431 . 1 1 96 96 ALA C C 13 178.556 0.1 . 1 . . . . . . . . 5863 1 432 . 1 1 96 96 ALA CB C 13 18.29 0.1 . 1 . . . . . . . . 5863 1 433 . 1 1 97 97 ALA H H 1 7.992 0.02 . 1 . . . . . . . . 5863 1 434 . 1 1 97 97 ALA N N 15 122.757 0.1 . 1 . . . . . . . . 5863 1 435 . 1 1 97 97 ALA CA C 13 52.92 0.1 . 1 . . . . . . . . 5863 1 436 . 1 1 97 97 ALA C C 13 181.148 0.1 . 1 . . . . . . . . 5863 1 437 . 1 1 97 97 ALA CB C 13 18.29 0.1 . 1 . . . . . . . . 5863 1 438 . 1 1 98 98 ASP H H 1 8.564 0.02 . 1 . . . . . . . . 5863 1 439 . 1 1 98 98 ASP N N 15 122.188 0.1 . 1 . . . . . . . . 5863 1 440 . 1 1 98 98 ASP CA C 13 56.90 0.1 . 1 . . . . . . . . 5863 1 441 . 1 1 98 98 ASP C C 13 178.889 0.1 . 1 . . . . . . . . 5863 1 442 . 1 1 98 98 ASP CB C 13 40.35 0.1 . 1 . . . . . . . . 5863 1 443 . 1 1 99 99 ASN H H 1 8.567 0.02 . 1 . . . . . . . . 5863 1 444 . 1 1 99 99 ASN N N 15 119.478 0.1 . 1 . . . . . . . . 5863 1 445 . 1 1 99 99 ASN CA C 13 55.76 0.1 . 1 . . . . . . . . 5863 1 446 . 1 1 99 99 ASN C C 13 179.139 0.1 . 1 . . . . . . . . 5863 1 447 . 1 1 99 99 ASN CB C 13 41.53 0.1 . 1 . . . . . . . . 5863 1 448 . 1 1 100 100 GLU H H 1 7.953 0.02 . 1 . . . . . . . . 5863 1 449 . 1 1 100 100 GLU N N 15 122.777 0.1 . 1 . . . . . . . . 5863 1 450 . 1 1 100 100 GLU CA C 13 57.74 0.1 . 1 . . . . . . . . 5863 1 451 . 1 1 100 100 GLU C C 13 178.436 0.1 . 1 . . . . . . . . 5863 1 452 . 1 1 100 100 GLU CB C 13 28.33 0.1 . 1 . . . . . . . . 5863 1 453 . 1 1 101 101 ALA H H 1 7.995 0.02 . 1 . . . . . . . . 5863 1 454 . 1 1 101 101 ALA N N 15 124.733 0.1 . 1 . . . . . . . . 5863 1 455 . 1 1 101 101 ALA CA C 13 55.06 0.1 . 1 . . . . . . . . 5863 1 456 . 1 1 101 101 ALA C C 13 181.409 0.1 . 1 . . . . . . . . 5863 1 457 . 1 1 101 101 ALA CB C 13 18.80 0.1 . 1 . . . . . . . . 5863 1 458 . 1 1 102 102 LYS H H 1 8.365 0.02 . 1 . . . . . . . . 5863 1 459 . 1 1 102 102 LYS N N 15 118.805 0.1 . 1 . . . . . . . . 5863 1 460 . 1 1 102 102 LYS CA C 13 58.62 0.1 . 1 . . . . . . . . 5863 1 461 . 1 1 102 102 LYS C C 13 180.806 0.1 . 1 . . . . . . . . 5863 1 462 . 1 1 102 102 LYS CB C 13 32.12 0.1 . 1 . . . . . . . . 5863 1 463 . 1 1 103 103 GLY H H 1 8.654 0.02 . 1 . . . . . . . . 5863 1 464 . 1 1 103 103 GLY N N 15 110.723 0.1 . 1 . . . . . . . . 5863 1 465 . 1 1 103 103 GLY CA C 13 47.57 0.1 . 1 . . . . . . . . 5863 1 466 . 1 1 103 103 GLY C C 13 175.583 0.1 . 1 . . . . . . . . 5863 1 467 . 1 1 104 104 LYS H H 1 8.495 0.02 . 1 . . . . . . . . 5863 1 468 . 1 1 104 104 LYS N N 15 124.346 0.1 . 1 . . . . . . . . 5863 1 469 . 1 1 104 104 LYS CA C 13 60.08 0.1 . 1 . . . . . . . . 5863 1 470 . 1 1 104 104 LYS C C 13 178.476 0.1 . 1 . . . . . . . . 5863 1 471 . 1 1 104 104 LYS CB C 13 32.15 0.1 . 1 . . . . . . . . 5863 1 472 . 1 1 105 105 GLU H H 1 7.443 0.02 . 1 . . . . . . . . 5863 1 473 . 1 1 105 105 GLU N N 15 118.201 0.1 . 1 . . . . . . . . 5863 1 474 . 1 1 105 105 GLU CA C 13 59.18 0.1 . 1 . . . . . . . . 5863 1 475 . 1 1 105 105 GLU C C 13 178.837 0.1 . 1 . . . . . . . . 5863 1 476 . 1 1 105 105 GLU CB C 13 29.06 0.1 . 1 . . . . . . . . 5863 1 477 . 1 1 106 106 TYR H H 1 8.006 0.02 . 1 . . . . . . . . 5863 1 478 . 1 1 106 106 TYR N N 15 120.298 0.1 . 1 . . . . . . . . 5863 1 479 . 1 1 106 106 TYR CA C 13 61.67 0.1 . 1 . . . . . . . . 5863 1 480 . 1 1 106 106 TYR C C 13 178.837 0.1 . 1 . . . . . . . . 5863 1 481 . 1 1 106 106 TYR CB C 13 38.69 0.1 . 1 . . . . . . . . 5863 1 482 . 1 1 107 107 ARG H H 1 8.837 0.02 . 1 . . . . . . . . 5863 1 483 . 1 1 107 107 ARG N N 15 118.979 0.1 . 1 . . . . . . . . 5863 1 484 . 1 1 107 107 ARG CA C 13 60.41 0.1 . 1 . . . . . . . . 5863 1 485 . 1 1 107 107 ARG C C 13 178.054 0.1 . 1 . . . . . . . . 5863 1 486 . 1 1 107 107 ARG CB C 13 29.43 0.1 . 1 . . . . . . . . 5863 1 487 . 1 1 108 108 GLU H H 1 8.249 0.02 . 1 . . . . . . . . 5863 1 488 . 1 1 108 108 GLU N N 15 118.131 0.1 . 1 . . . . . . . . 5863 1 489 . 1 1 108 108 GLU CA C 13 59.05 0.1 . 1 . . . . . . . . 5863 1 490 . 1 1 108 108 GLU C C 13 179.139 0.1 . 1 . . . . . . . . 5863 1 491 . 1 1 108 108 GLU CB C 13 28.82 0.1 . 1 . . . . . . . . 5863 1 492 . 1 1 109 109 LYS H H 1 7.689 0.02 . 1 . . . . . . . . 5863 1 493 . 1 1 109 109 LYS N N 15 119.611 0.1 . 1 . . . . . . . . 5863 1 494 . 1 1 109 109 LYS CA C 13 58.98 0.1 . 1 . . . . . . . . 5863 1 495 . 1 1 109 109 LYS C C 13 180.083 0.1 . 1 . . . . . . . . 5863 1 496 . 1 1 109 109 LYS CB C 13 32.39 0.1 . 1 . . . . . . . . 5863 1 497 . 1 1 110 110 PHE H H 1 8.201 0.02 . 1 . . . . . . . . 5863 1 498 . 1 1 110 110 PHE N N 15 122.907 0.1 . 1 . . . . . . . . 5863 1 499 . 1 1 110 110 PHE CA C 13 59.98 0.1 . 1 . . . . . . . . 5863 1 500 . 1 1 110 110 PHE C C 13 176.527 0.1 . 1 . . . . . . . . 5863 1 501 . 1 1 110 110 PHE CB C 13 38.81 0.1 . 1 . . . . . . . . 5863 1 502 . 1 1 111 111 ALA H H 1 7.850 0.02 . 1 . . . . . . . . 5863 1 503 . 1 1 111 111 ALA N N 15 115.790 0.1 . 1 . . . . . . . . 5863 1 504 . 1 1 111 111 ALA CA C 13 53.25 0.1 . 1 . . . . . . . . 5863 1 505 . 1 1 111 111 ALA C C 13 177.913 0.1 . 1 . . . . . . . . 5863 1 506 . 1 1 111 111 ALA CB C 13 17.97 0.1 . 1 . . . . . . . . 5863 1 507 . 1 1 112 112 LYS H H 1 6.931 0.02 . 1 . . . . . . . . 5863 1 508 . 1 1 112 112 LYS N N 15 114.894 0.1 . 1 . . . . . . . . 5863 1 509 . 1 1 112 112 LYS CA C 13 55.62 0.1 . 1 . . . . . . . . 5863 1 510 . 1 1 112 112 LYS C C 13 177.719 0.1 . 1 . . . . . . . . 5863 1 511 . 1 1 112 112 LYS CB C 13 32.15 0.1 . 1 . . . . . . . . 5863 1 512 . 1 1 113 113 GLU H H 1 7.513 0.02 . 1 . . . . . . . . 5863 1 513 . 1 1 113 113 GLU N N 15 121.289 0.1 . 1 . . . . . . . . 5863 1 514 . 1 1 113 113 GLU CA C 13 56.05 0.1 . 1 . . . . . . . . 5863 1 515 . 1 1 113 113 GLU C C 13 176.855 0.1 . 1 . . . . . . . . 5863 1 516 . 1 1 113 113 GLU CB C 13 28.26 0.1 . 1 . . . . . . . . 5863 1 517 . 1 1 114 114 LYS H H 1 8.305 0.02 . 1 . . . . . . . . 5863 1 518 . 1 1 114 114 LYS N N 15 122.934 0.1 . 1 . . . . . . . . 5863 1 519 . 1 1 114 114 LYS CA C 13 57.38 0.1 . 1 . . . . . . . . 5863 1 520 . 1 1 114 114 LYS C C 13 178.315 0.1 . 1 . . . . . . . . 5863 1 521 . 1 1 114 114 LYS CB C 13 31.03 0.1 . 1 . . . . . . . . 5863 1 522 . 1 1 115 115 GLY H H 1 8.664 0.02 . 1 . . . . . . . . 5863 1 523 . 1 1 115 115 GLY N N 15 112.887 0.1 . 1 . . . . . . . . 5863 1 524 . 1 1 115 115 GLY CA C 13 44.54 0.1 . 1 . . . . . . . . 5863 1 525 . 1 1 115 115 GLY C C 13 173.795 0.1 . 1 . . . . . . . . 5863 1 526 . 1 1 116 116 VAL H H 1 7.199 0.02 . 1 . . . . . . . . 5863 1 527 . 1 1 116 116 VAL N N 15 122.641 0.1 . 1 . . . . . . . . 5863 1 528 . 1 1 116 116 VAL CA C 13 62.36 0.1 . 1 . . . . . . . . 5863 1 529 . 1 1 116 116 VAL C C 13 175.784 0.1 . 1 . . . . . . . . 5863 1 530 . 1 1 116 116 VAL CB C 13 30.03 0.1 . 1 . . . . . . . . 5863 1 531 . 1 1 117 117 LYS H H 1 8.525 0.02 . 1 . . . . . . . . 5863 1 532 . 1 1 117 117 LYS N N 15 128.197 0.1 . 1 . . . . . . . . 5863 1 533 . 1 1 117 117 LYS CA C 13 53.62 0.1 . 1 . . . . . . . . 5863 1 534 . 1 1 117 117 LYS C C 13 174.117 0.1 . 1 . . . . . . . . 5863 1 535 . 1 1 117 117 LYS CB C 13 34.13 0.1 . 1 . . . . . . . . 5863 1 536 . 1 1 118 118 THR H H 1 7.972 0.02 . 1 . . . . . . . . 5863 1 537 . 1 1 118 118 THR N N 15 114.295 0.1 . 1 . . . . . . . . 5863 1 538 . 1 1 118 118 THR CA C 13 60.45 0.1 . 1 . . . . . . . . 5863 1 539 . 1 1 118 118 THR C C 13 175.523 0.1 . 1 . . . . . . . . 5863 1 540 . 1 1 118 118 THR CB C 13 69.79 0.1 . 1 . . . . . . . . 5863 1 541 . 1 1 119 119 SER H H 1 9.447 0.02 . 1 . . . . . . . . 5863 1 542 . 1 1 119 119 SER N N 15 123.376 0.1 . 1 . . . . . . . . 5863 1 543 . 1 1 119 119 SER CA C 13 55.72 0.1 . 1 . . . . . . . . 5863 1 544 . 1 1 119 119 SER C C 13 177.190 0.1 . 1 . . . . . . . . 5863 1 545 . 1 1 119 119 SER CB C 13 64.02 0.1 . 1 . . . . . . . . 5863 1 546 . 1 1 120 120 SER H H 1 8.874 0.02 . 1 . . . . . . . . 5863 1 547 . 1 1 120 120 SER N N 15 120.618 0.1 . 1 . . . . . . . . 5863 1 548 . 1 1 120 120 SER CA C 13 60.94 0.1 . 1 . . . . . . . . 5863 1 549 . 1 1 120 120 SER C C 13 175.801 0.1 . 1 . . . . . . . . 5863 1 550 . 1 1 120 120 SER CB C 13 62.88 0.1 . 1 . . . . . . . . 5863 1 551 . 1 1 121 121 THR H H 1 8.245 0.02 . 1 . . . . . . . . 5863 1 552 . 1 1 121 121 THR N N 15 112.968 0.1 . 1 . . . . . . . . 5863 1 553 . 1 1 121 121 THR CA C 13 62.03 0.1 . 1 . . . . . . . . 5863 1 554 . 1 1 121 121 THR C C 13 175.764 0.1 . 1 . . . . . . . . 5863 1 555 . 1 1 121 121 THR CB C 13 68.67 0.1 . 1 . . . . . . . . 5863 1 556 . 1 1 122 122 GLY H H 1 7.697 0.02 . 1 . . . . . . . . 5863 1 557 . 1 1 122 122 GLY N N 15 108.236 0.1 . 1 . . . . . . . . 5863 1 558 . 1 1 122 122 GLY CA C 13 43.43 0.1 . 1 . . . . . . . . 5863 1 559 . 1 1 122 122 GLY C C 13 173.815 0.1 . 1 . . . . . . . . 5863 1 560 . 1 1 123 123 LEU H H 1 7.397 0.02 . 1 . . . . . . . . 5863 1 561 . 1 1 123 123 LEU N N 15 122.138 0.1 . 1 . . . . . . . . 5863 1 562 . 1 1 123 123 LEU CA C 13 56.16 0.1 . 1 . . . . . . . . 5863 1 563 . 1 1 123 123 LEU C C 13 174.297 0.1 . 1 . . . . . . . . 5863 1 564 . 1 1 123 123 LEU CB C 13 41.10 0.1 . 1 . . . . . . . . 5863 1 565 . 1 1 124 124 VAL H H 1 8.161 0.02 . 1 . . . . . . . . 5863 1 566 . 1 1 124 124 VAL N N 15 129.166 0.1 . 1 . . . . . . . . 5863 1 567 . 1 1 124 124 VAL CA C 13 60.37 0.1 . 1 . . . . . . . . 5863 1 568 . 1 1 124 124 VAL C C 13 175.282 0.1 . 1 . . . . . . . . 5863 1 569 . 1 1 124 124 VAL CB C 13 33.58 0.1 . 1 . . . . . . . . 5863 1 570 . 1 1 125 125 TYR H H 1 9.271 0.02 . 1 . . . . . . . . 5863 1 571 . 1 1 125 125 TYR N N 15 121.853 0.1 . 1 . . . . . . . . 5863 1 572 . 1 1 125 125 TYR CA C 13 55.12 0.1 . 1 . . . . . . . . 5863 1 573 . 1 1 125 125 TYR C C 13 172.088 0.1 . 1 . . . . . . . . 5863 1 574 . 1 1 125 125 TYR CB C 13 41.93 0.1 . 1 . . . . . . . . 5863 1 575 . 1 1 126 126 GLN H H 1 9.245 0.02 . 1 . . . . . . . . 5863 1 576 . 1 1 126 126 GLN N N 15 121.940 0.1 . 1 . . . . . . . . 5863 1 577 . 1 1 126 126 GLN CA C 13 53.17 0.1 . 1 . . . . . . . . 5863 1 578 . 1 1 126 126 GLN C C 13 175.081 0.1 . 1 . . . . . . . . 5863 1 579 . 1 1 126 126 GLN CB C 13 33.10 0.1 . 1 . . . . . . . . 5863 1 580 . 1 1 127 127 VAL H H 1 9.228 0.02 . 1 . . . . . . . . 5863 1 581 . 1 1 127 127 VAL N N 15 130.022 0.1 . 1 . . . . . . . . 5863 1 582 . 1 1 127 127 VAL CA C 13 64.76 0.1 . 1 . . . . . . . . 5863 1 583 . 1 1 127 127 VAL C C 13 175.322 0.1 . 1 . . . . . . . . 5863 1 584 . 1 1 127 127 VAL CB C 13 30.79 0.1 . 1 . . . . . . . . 5863 1 585 . 1 1 128 128 VAL H H 1 8.350 0.02 . 1 . . . . . . . . 5863 1 586 . 1 1 128 128 VAL N N 15 133.431 0.1 . 1 . . . . . . . . 5863 1 587 . 1 1 128 128 VAL CA C 13 64.30 0.1 . 1 . . . . . . . . 5863 1 588 . 1 1 128 128 VAL C C 13 176.427 0.1 . 1 . . . . . . . . 5863 1 589 . 1 1 128 128 VAL CB C 13 31.92 0.1 . 1 . . . . . . . . 5863 1 590 . 1 1 129 129 GLU H H 1 7.997 0.02 . 1 . . . . . . . . 5863 1 591 . 1 1 129 129 GLU N N 15 119.621 0.1 . 1 . . . . . . . . 5863 1 592 . 1 1 129 129 GLU CA C 13 55.10 0.1 . 1 . . . . . . . . 5863 1 593 . 1 1 129 129 GLU C C 13 175.623 0.1 . 1 . . . . . . . . 5863 1 594 . 1 1 129 129 GLU CB C 13 32.58 0.1 . 1 . . . . . . . . 5863 1 595 . 1 1 130 130 ALA H H 1 8.778 0.02 . 1 . . . . . . . . 5863 1 596 . 1 1 130 130 ALA N N 15 127.876 0.1 . 1 . . . . . . . . 5863 1 597 . 1 1 130 130 ALA CA C 13 55.10 0.1 . 1 . . . . . . . . 5863 1 598 . 1 1 130 130 ALA C C 13 179.038 0.1 . 1 . . . . . . . . 5863 1 599 . 1 1 130 130 ALA CB C 13 19.12 0.1 . 1 . . . . . . . . 5863 1 600 . 1 1 131 131 GLY H H 1 8.156 0.02 . 1 . . . . . . . . 5863 1 601 . 1 1 131 131 GLY N N 15 102.901 0.1 . 1 . . . . . . . . 5863 1 602 . 1 1 131 131 GLY CA C 13 43.65 0.1 . 1 . . . . . . . . 5863 1 603 . 1 1 131 131 GLY C C 13 172.891 0.1 . 1 . . . . . . . . 5863 1 604 . 1 1 132 132 LYS H H 1 8.455 0.02 . 1 . . . . . . . . 5863 1 605 . 1 1 132 132 LYS N N 15 118.403 0.1 . 1 . . . . . . . . 5863 1 606 . 1 1 132 132 LYS CA C 13 55.27 0.1 . 1 . . . . . . . . 5863 1 607 . 1 1 132 132 LYS C C 13 175.061 0.1 . 1 . . . . . . . . 5863 1 608 . 1 1 132 132 LYS CB C 13 34.72 0.1 . 1 . . . . . . . . 5863 1 609 . 1 1 133 133 GLY H H 1 8.298 0.02 . 1 . . . . . . . . 5863 1 610 . 1 1 133 133 GLY N N 15 110.750 0.1 . 1 . . . . . . . . 5863 1 611 . 1 1 133 133 GLY CA C 13 44.16 0.1 . 1 . . . . . . . . 5863 1 612 . 1 1 133 133 GLY C C 13 172.831 0.1 . 1 . . . . . . . . 5863 1 613 . 1 1 134 134 GLU H H 1 8.439 0.02 . 1 . . . . . . . . 5863 1 614 . 1 1 134 134 GLU N N 15 123.723 0.1 . 1 . . . . . . . . 5863 1 615 . 1 1 134 134 GLU CA C 13 54.94 0.1 . 1 . . . . . . . . 5863 1 616 . 1 1 134 134 GLU C C 13 176.145 0.1 . 1 . . . . . . . . 5863 1 617 . 1 1 134 134 GLU CB C 13 30.14 0.1 . 1 . . . . . . . . 5863 1 618 . 1 1 135 135 ALA H H 1 8.370 0.02 . 1 . . . . . . . . 5863 1 619 . 1 1 135 135 ALA N N 15 125.737 0.1 . 1 . . . . . . . . 5863 1 620 . 1 1 135 135 ALA CA C 13 49.22 0.1 . 1 . . . . . . . . 5863 1 621 . 1 1 135 135 ALA C C 13 176.085 0.1 . 1 . . . . . . . . 5863 1 622 . 1 1 135 135 ALA CB C 13 17.42 0.1 . 1 . . . . . . . . 5863 1 623 . 1 1 136 136 PRO CA C 13 62.11 0.1 . 1 . . . . . . . . 5863 1 624 . 1 1 136 136 PRO C C 13 174.799 0.1 . 1 . . . . . . . . 5863 1 625 . 1 1 136 136 PRO CB C 13 31.90 0.1 . 1 . . . . . . . . 5863 1 626 . 1 1 137 137 LYS H H 1 9.005 0.02 . 1 . . . . . . . . 5863 1 627 . 1 1 137 137 LYS N N 15 121.001 0.1 . 1 . . . . . . . . 5863 1 628 . 1 1 137 137 LYS CA C 13 53.43 0.1 . 1 . . . . . . . . 5863 1 629 . 1 1 137 137 LYS C C 13 177.270 0.1 . 1 . . . . . . . . 5863 1 630 . 1 1 137 137 LYS CB C 13 33.73 0.1 . 1 . . . . . . . . 5863 1 631 . 1 1 138 138 ASP H H 1 8.097 0.02 . 1 . . . . . . . . 5863 1 632 . 1 1 138 138 ASP N N 15 118.305 0.1 . 1 . . . . . . . . 5863 1 633 . 1 1 138 138 ASP CA C 13 58.22 0.1 . 1 . . . . . . . . 5863 1 634 . 1 1 138 138 ASP C C 13 174.558 0.1 . 1 . . . . . . . . 5863 1 635 . 1 1 138 138 ASP CB C 13 41.52 0.1 . 1 . . . . . . . . 5863 1 636 . 1 1 139 139 SER H H 1 7.212 0.02 . 1 . . . . . . . . 5863 1 637 . 1 1 139 139 SER N N 15 105.375 0.1 . 1 . . . . . . . . 5863 1 638 . 1 1 139 139 SER CA C 13 57.30 0.1 . 1 . . . . . . . . 5863 1 639 . 1 1 139 139 SER C C 13 174.799 0.1 . 1 . . . . . . . . 5863 1 640 . 1 1 139 139 SER CB C 13 63.47 0.1 . 1 . . . . . . . . 5863 1 641 . 1 1 140 140 ASP H H 1 7.857 0.02 . 1 . . . . . . . . 5863 1 642 . 1 1 140 140 ASP N N 15 123.327 0.1 . 1 . . . . . . . . 5863 1 643 . 1 1 140 140 ASP CA C 13 54.72 0.1 . 1 . . . . . . . . 5863 1 644 . 1 1 140 140 ASP C C 13 176.246 0.1 . 1 . . . . . . . . 5863 1 645 . 1 1 140 140 ASP CB C 13 40.55 0.1 . 1 . . . . . . . . 5863 1 646 . 1 1 141 141 THR H H 1 8.367 0.02 . 1 . . . . . . . . 5863 1 647 . 1 1 141 141 THR N N 15 117.126 0.1 . 1 . . . . . . . . 5863 1 648 . 1 1 141 141 THR CA C 13 62.25 0.1 . 1 . . . . . . . . 5863 1 649 . 1 1 141 141 THR C C 13 173.654 0.1 . 1 . . . . . . . . 5863 1 650 . 1 1 141 141 THR CB C 13 69.00 0.1 . 1 . . . . . . . . 5863 1 651 . 1 1 142 142 VAL H H 1 8.815 0.02 . 1 . . . . . . . . 5863 1 652 . 1 1 142 142 VAL N N 15 120.985 0.1 . 1 . . . . . . . . 5863 1 653 . 1 1 142 142 VAL CA C 13 57.82 0.1 . 1 . . . . . . . . 5863 1 654 . 1 1 142 142 VAL C C 13 172.992 0.1 . 1 . . . . . . . . 5863 1 655 . 1 1 142 142 VAL CB C 13 32.47 0.1 . 1 . . . . . . . . 5863 1 656 . 1 1 143 143 VAL H H 1 7.597 0.02 . 1 . . . . . . . . 5863 1 657 . 1 1 143 143 VAL N N 15 121.669 0.1 . 1 . . . . . . . . 5863 1 658 . 1 1 143 143 VAL CA C 13 60.42 0.1 . 1 . . . . . . . . 5863 1 659 . 1 1 143 143 VAL C C 13 176.929 0.1 . 1 . . . . . . . . 5863 1 660 . 1 1 143 143 VAL CB C 13 32.58 0.1 . 1 . . . . . . . . 5863 1 661 . 1 1 144 144 VAL H H 1 9.233 0.02 . 1 . . . . . . . . 5863 1 662 . 1 1 144 144 VAL N N 15 118.600 0.1 . 1 . . . . . . . . 5863 1 663 . 1 1 144 144 VAL CA C 13 58.01 0.1 . 1 . . . . . . . . 5863 1 664 . 1 1 144 144 VAL C C 13 175.362 0.1 . 1 . . . . . . . . 5863 1 665 . 1 1 144 144 VAL CB C 13 34.90 0.1 . 1 . . . . . . . . 5863 1 666 . 1 1 145 145 ASN H H 1 8.308 0.02 . 1 . . . . . . . . 5863 1 667 . 1 1 145 145 ASN N N 15 117.545 0.1 . 1 . . . . . . . . 5863 1 668 . 1 1 145 145 ASN CA C 13 51.16 0.1 . 1 . . . . . . . . 5863 1 669 . 1 1 145 145 ASN C C 13 174.446 0.1 . 1 . . . . . . . . 5863 1 670 . 1 1 145 145 ASN CB C 13 41.75 0.1 . 1 . . . . . . . . 5863 1 671 . 1 1 146 146 TYR H H 1 8.824 0.02 . 1 . . . . . . . . 5863 1 672 . 1 1 146 146 TYR N N 15 115.912 0.1 . 1 . . . . . . . . 5863 1 673 . 1 1 146 146 TYR CA C 13 56.20 0.1 . 1 . . . . . . . . 5863 1 674 . 1 1 146 146 TYR C C 13 171.826 0.1 . 1 . . . . . . . . 5863 1 675 . 1 1 146 146 TYR CB C 13 41.88 0.1 . 1 . . . . . . . . 5863 1 676 . 1 1 147 147 LYS H H 1 8.595 0.02 . 1 . . . . . . . . 5863 1 677 . 1 1 147 147 LYS N N 15 118.287 0.1 . 1 . . . . . . . . 5863 1 678 . 1 1 147 147 LYS CA C 13 55.05 0.1 . 1 . . . . . . . . 5863 1 679 . 1 1 147 147 LYS C C 13 175.121 0.1 . 1 . . . . . . . . 5863 1 680 . 1 1 147 147 LYS CB C 13 35.46 0.1 . 1 . . . . . . . . 5863 1 681 . 1 1 148 148 GLY H H 1 8.783 0.02 . 1 . . . . . . . . 5863 1 682 . 1 1 148 148 GLY N N 15 113.896 0.1 . 1 . . . . . . . . 5863 1 683 . 1 1 148 148 GLY CA C 13 44.54 0.1 . 1 . . . . . . . . 5863 1 684 . 1 1 148 148 GLY C C 13 172.067 0.1 . 1 . . . . . . . . 5863 1 685 . 1 1 149 149 THR H H 1 9.404 0.02 . 1 . . . . . . . . 5863 1 686 . 1 1 149 149 THR N N 15 117.969 0.1 . 1 . . . . . . . . 5863 1 687 . 1 1 149 149 THR CA C 13 58.71 0.1 . 1 . . . . . . . . 5863 1 688 . 1 1 149 149 THR C C 13 174.217 0.1 . 1 . . . . . . . . 5863 1 689 . 1 1 149 149 THR CB C 13 71.66 0.1 . 1 . . . . . . . . 5863 1 690 . 1 1 150 150 LEU H H 1 8.494 0.02 . 1 . . . . . . . . 5863 1 691 . 1 1 150 150 LEU N N 15 120.194 0.1 . 1 . . . . . . . . 5863 1 692 . 1 1 150 150 LEU CA C 13 53.06 0.1 . 1 . . . . . . . . 5863 1 693 . 1 1 150 150 LEU C C 13 181.529 0.1 . 1 . . . . . . . . 5863 1 694 . 1 1 150 150 LEU CB C 13 39.89 0.1 . 1 . . . . . . . . 5863 1 695 . 1 1 151 151 ILE H H 1 9.383 0.02 . 1 . . . . . . . . 5863 1 696 . 1 1 151 151 ILE N N 15 116.639 0.1 . 1 . . . . . . . . 5863 1 697 . 1 1 151 151 ILE CA C 13 64.35 0.1 . 1 . . . . . . . . 5863 1 698 . 1 1 151 151 ILE C C 13 176.668 0.1 . 1 . . . . . . . . 5863 1 699 . 1 1 151 151 ILE CB C 13 36.45 0.1 . 1 . . . . . . . . 5863 1 700 . 1 1 152 152 ASP H H 1 7.528 0.02 . 1 . . . . . . . . 5863 1 701 . 1 1 152 152 ASP N N 15 119.117 0.1 . 1 . . . . . . . . 5863 1 702 . 1 1 152 152 ASP CA C 13 52.73 0.1 . 1 . . . . . . . . 5863 1 703 . 1 1 152 152 ASP C C 13 177.391 0.1 . 1 . . . . . . . . 5863 1 704 . 1 1 152 152 ASP CB C 13 39.44 0.1 . 1 . . . . . . . . 5863 1 705 . 1 1 153 153 GLY H H 1 7.961 0.02 . 1 . . . . . . . . 5863 1 706 . 1 1 153 153 GLY N N 15 108.475 0.1 . 1 . . . . . . . . 5863 1 707 . 1 1 153 153 GLY CA C 13 44.09 0.1 . 1 . . . . . . . . 5863 1 708 . 1 1 153 153 GLY C C 13 174.337 0.1 . 1 . . . . . . . . 5863 1 709 . 1 1 154 154 LYS H H 1 7.818 0.02 . 1 . . . . . . . . 5863 1 710 . 1 1 154 154 LYS N N 15 122.658 0.1 . 1 . . . . . . . . 5863 1 711 . 1 1 154 154 LYS CA C 13 56.60 0.1 . 1 . . . . . . . . 5863 1 712 . 1 1 154 154 LYS C C 13 176.266 0.1 . 1 . . . . . . . . 5863 1 713 . 1 1 154 154 LYS CB C 13 31.35 0.1 . 1 . . . . . . . . 5863 1 714 . 1 1 155 155 GLU H H 1 8.621 0.02 . 1 . . . . . . . . 5863 1 715 . 1 1 155 155 GLU N N 15 128.245 0.1 . 1 . . . . . . . . 5863 1 716 . 1 1 155 155 GLU CA C 13 56.31 0.1 . 1 . . . . . . . . 5863 1 717 . 1 1 155 155 GLU C C 13 176.607 0.1 . 1 . . . . . . . . 5863 1 718 . 1 1 155 155 GLU CB C 13 31.07 0.1 . 1 . . . . . . . . 5863 1 719 . 1 1 156 156 PHE CA C 13 56.03 0.1 . 1 . . . . . . . . 5863 1 720 . 1 1 156 156 PHE C C 13 174.860 0.1 . 1 . . . . . . . . 5863 1 721 . 1 1 157 157 ASP H H 1 7.056 0.02 . 1 . . . . . . . . 5863 1 722 . 1 1 157 157 ASP N N 15 120.588 0.1 . 1 . . . . . . . . 5863 1 723 . 1 1 157 157 ASP CA C 13 54.39 0.1 . 1 . . . . . . . . 5863 1 724 . 1 1 157 157 ASP C C 13 174.799 0.1 . 1 . . . . . . . . 5863 1 725 . 1 1 157 157 ASP CB C 13 42.88 0.1 . 1 . . . . . . . . 5863 1 726 . 1 1 158 158 ASN H H 1 8.159 0.02 . 1 . . . . . . . . 5863 1 727 . 1 1 158 158 ASN N N 15 122.313 0.1 . 1 . . . . . . . . 5863 1 728 . 1 1 158 158 ASN CA C 13 52.95 0.1 . 1 . . . . . . . . 5863 1 729 . 1 1 158 158 ASN C C 13 175.462 0.1 . 1 . . . . . . . . 5863 1 730 . 1 1 158 158 ASN CB C 13 38.56 0.1 . 1 . . . . . . . . 5863 1 731 . 1 1 159 159 SER H H 1 8.824 0.02 . 1 . . . . . . . . 5863 1 732 . 1 1 159 159 SER N N 15 122.019 0.1 . 1 . . . . . . . . 5863 1 733 . 1 1 159 159 SER CA C 13 60.48 0.1 . 1 . . . . . . . . 5863 1 734 . 1 1 159 159 SER C C 13 176.427 0.1 . 1 . . . . . . . . 5863 1 735 . 1 1 159 159 SER CB C 13 61.81 0.1 . 1 . . . . . . . . 5863 1 736 . 1 1 160 160 TYR H H 1 8.298 0.02 . 1 . . . . . . . . 5863 1 737 . 1 1 160 160 TYR N N 15 126.039 0.1 . 1 . . . . . . . . 5863 1 738 . 1 1 160 160 TYR CA C 13 60.55 0.1 . 1 . . . . . . . . 5863 1 739 . 1 1 160 160 TYR C C 13 180.163 0.1 . 1 . . . . . . . . 5863 1 740 . 1 1 160 160 TYR CB C 13 35.01 0.1 . 1 . . . . . . . . 5863 1 741 . 1 1 161 161 THR H H 1 7.615 0.02 . 1 . . . . . . . . 5863 1 742 . 1 1 161 161 THR N N 15 112.801 0.1 . 1 . . . . . . . . 5863 1 743 . 1 1 161 161 THR CA C 13 64.02 0.1 . 1 . . . . . . . . 5863 1 744 . 1 1 161 161 THR C C 13 176.306 0.1 . 1 . . . . . . . . 5863 1 745 . 1 1 161 161 THR CB C 13 67.63 0.1 . 1 . . . . . . . . 5863 1 746 . 1 1 162 162 ARG H H 1 7.098 0.02 . 1 . . . . . . . . 5863 1 747 . 1 1 162 162 ARG N N 15 119.417 0.1 . 1 . . . . . . . . 5863 1 748 . 1 1 162 162 ARG CA C 13 57.27 0.1 . 1 . . . . . . . . 5863 1 749 . 1 1 162 162 ARG C C 13 177.652 0.1 . 1 . . . . . . . . 5863 1 750 . 1 1 162 162 ARG CB C 13 30.14 0.1 . 1 . . . . . . . . 5863 1 751 . 1 1 163 163 GLY H H 1 7.609 0.02 . 1 . . . . . . . . 5863 1 752 . 1 1 163 163 GLY N N 15 106.252 0.1 . 1 . . . . . . . . 5863 1 753 . 1 1 163 163 GLY CA C 13 45.20 0.1 . 1 . . . . . . . . 5863 1 754 . 1 1 163 163 GLY C C 13 173.333 0.1 . 1 . . . . . . . . 5863 1 755 . 1 1 164 164 GLU H H 1 7.091 0.02 . 1 . . . . . . . . 5863 1 756 . 1 1 164 164 GLU N N 15 118.622 0.1 . 1 . . . . . . . . 5863 1 757 . 1 1 164 164 GLU CA C 13 52.51 0.1 . 1 . . . . . . . . 5863 1 758 . 1 1 164 164 GLU C C 13 172.690 0.1 . 1 . . . . . . . . 5863 1 759 . 1 1 164 164 GLU CB C 13 31.25 0.1 . 1 . . . . . . . . 5863 1 760 . 1 1 165 165 PRO CA C 13 62.22 0.1 . 1 . . . . . . . . 5863 1 761 . 1 1 165 165 PRO C C 13 175.864 0.1 . 1 . . . . . . . . 5863 1 762 . 1 1 165 165 PRO CB C 13 31.94 0.1 . 1 . . . . . . . . 5863 1 763 . 1 1 166 166 LEU H H 1 8.635 0.02 . 1 . . . . . . . . 5863 1 764 . 1 1 166 166 LEU N N 15 123.531 0.1 . 1 . . . . . . . . 5863 1 765 . 1 1 166 166 LEU CA C 13 53.72 0.1 . 1 . . . . . . . . 5863 1 766 . 1 1 166 166 LEU C C 13 175.241 0.1 . 1 . . . . . . . . 5863 1 767 . 1 1 166 166 LEU CB C 13 44.77 0.1 . 1 . . . . . . . . 5863 1 768 . 1 1 167 167 SER H H 1 8.196 0.02 . 1 . . . . . . . . 5863 1 769 . 1 1 167 167 SER N N 15 118.810 0.1 . 1 . . . . . . . . 5863 1 770 . 1 1 167 167 SER CA C 13 55.71 0.1 . 1 . . . . . . . . 5863 1 771 . 1 1 167 167 SER C C 13 174.317 0.1 . 1 . . . . . . . . 5863 1 772 . 1 1 167 167 SER CB C 13 64.12 0.1 . 1 . . . . . . . . 5863 1 773 . 1 1 168 168 PHE H H 1 8.323 0.02 . 1 . . . . . . . . 5863 1 774 . 1 1 168 168 PHE N N 15 120.701 0.1 . 1 . . . . . . . . 5863 1 775 . 1 1 168 168 PHE CA C 13 55.71 0.1 . 1 . . . . . . . . 5863 1 776 . 1 1 168 168 PHE C C 13 173.675 0.1 . 1 . . . . . . . . 5863 1 777 . 1 1 168 168 PHE CB C 13 40.28 0.1 . 1 . . . . . . . . 5863 1 778 . 1 1 169 169 ARG H H 1 8.502 0.02 . 1 . . . . . . . . 5863 1 779 . 1 1 169 169 ARG N N 15 122.823 0.1 . 1 . . . . . . . . 5863 1 780 . 1 1 169 169 ARG CA C 13 55.59 0.1 . 1 . . . . . . . . 5863 1 781 . 1 1 169 169 ARG C C 13 179.380 0.1 . 1 . . . . . . . . 5863 1 782 . 1 1 169 169 ARG CB C 13 30.40 0.1 . 1 . . . . . . . . 5863 1 783 . 1 1 170 170 LEU H H 1 8.582 0.02 . 1 . . . . . . . . 5863 1 784 . 1 1 170 170 LEU N N 15 128.739 0.1 . 1 . . . . . . . . 5863 1 785 . 1 1 170 170 LEU CA C 13 58.49 0.1 . 1 . . . . . . . . 5863 1 786 . 1 1 170 170 LEU C C 13 176.587 0.1 . 1 . . . . . . . . 5863 1 787 . 1 1 170 170 LEU CB C 13 40.00 0.1 . 1 . . . . . . . . 5863 1 788 . 1 1 171 171 ASP H H 1 8.089 0.02 . 1 . . . . . . . . 5863 1 789 . 1 1 171 171 ASP N N 15 115.723 0.1 . 1 . . . . . . . . 5863 1 790 . 1 1 171 171 ASP CA C 13 53.17 0.1 . 1 . . . . . . . . 5863 1 791 . 1 1 171 171 ASP C C 13 177.210 0.1 . 1 . . . . . . . . 5863 1 792 . 1 1 171 171 ASP CB C 13 38.67 0.1 . 1 . . . . . . . . 5863 1 793 . 1 1 172 172 GLY H H 1 8.355 0.02 . 1 . . . . . . . . 5863 1 794 . 1 1 172 172 GLY N N 15 107.452 0.1 . 1 . . . . . . . . 5863 1 795 . 1 1 172 172 GLY CA C 13 44.98 0.1 . 1 . . . . . . . . 5863 1 796 . 1 1 172 172 GLY C C 13 174.498 0.1 . 1 . . . . . . . . 5863 1 797 . 1 1 173 173 VAL H H 1 6.563 0.02 . 1 . . . . . . . . 5863 1 798 . 1 1 173 173 VAL N N 15 112.230 0.1 . 1 . . . . . . . . 5863 1 799 . 1 1 173 173 VAL CA C 13 59.24 0.1 . 1 . . . . . . . . 5863 1 800 . 1 1 173 173 VAL C C 13 174.840 0.1 . 1 . . . . . . . . 5863 1 801 . 1 1 173 173 VAL CB C 13 33.76 0.1 . 1 . . . . . . . . 5863 1 802 . 1 1 174 174 ILE H H 1 6.899 0.02 . 1 . . . . . . . . 5863 1 803 . 1 1 174 174 ILE N N 15 111.716 0.1 . 1 . . . . . . . . 5863 1 804 . 1 1 174 174 ILE CA C 13 59.55 0.1 . 1 . . . . . . . . 5863 1 805 . 1 1 174 174 ILE C C 13 175.683 0.1 . 1 . . . . . . . . 5863 1 806 . 1 1 174 174 ILE CB C 13 38.85 0.1 . 1 . . . . . . . . 5863 1 807 . 1 1 175 175 PRO CA C 13 65.08 0.1 . 1 . . . . . . . . 5863 1 808 . 1 1 175 175 PRO C C 13 179.862 0.1 . 1 . . . . . . . . 5863 1 809 . 1 1 175 175 PRO CB C 13 34.49 0.1 . 1 . . . . . . . . 5863 1 810 . 1 1 176 176 GLY H H 1 9.005 0.02 . 1 . . . . . . . . 5863 1 811 . 1 1 176 176 GLY N N 15 102.748 0.1 . 1 . . . . . . . . 5863 1 812 . 1 1 176 176 GLY CA C 13 47.43 0.1 . 1 . . . . . . . . 5863 1 813 . 1 1 176 176 GLY C C 13 175.724 0.1 . 1 . . . . . . . . 5863 1 814 . 1 1 177 177 TRP H H 1 7.837 0.02 . 1 . . . . . . . . 5863 1 815 . 1 1 177 177 TRP N N 15 120.861 0.1 . 1 . . . . . . . . 5863 1 816 . 1 1 177 177 TRP CA C 13 60.00 0.1 . 1 . . . . . . . . 5863 1 817 . 1 1 177 177 TRP C C 13 176.909 0.1 . 1 . . . . . . . . 5863 1 818 . 1 1 177 177 TRP CB C 13 30.40 0.1 . 1 . . . . . . . . 5863 1 819 . 1 1 178 178 THR H H 1 7.740 0.02 . 1 . . . . . . . . 5863 1 820 . 1 1 178 178 THR N N 15 117.664 0.1 . 1 . . . . . . . . 5863 1 821 . 1 1 178 178 THR CA C 13 66.70 0.1 . 1 . . . . . . . . 5863 1 822 . 1 1 178 178 THR C C 13 174.458 0.1 . 1 . . . . . . . . 5863 1 823 . 1 1 178 178 THR CB C 13 68.68 0.1 . 1 . . . . . . . . 5863 1 824 . 1 1 179 179 GLU H H 1 7.954 0.02 . 1 . . . . . . . . 5863 1 825 . 1 1 179 179 GLU N N 15 115.739 0.1 . 1 . . . . . . . . 5863 1 826 . 1 1 179 179 GLU CA C 13 57.86 0.1 . 1 . . . . . . . . 5863 1 827 . 1 1 179 179 GLU C C 13 179.741 0.1 . 1 . . . . . . . . 5863 1 828 . 1 1 179 179 GLU CB C 13 29.43 0.1 . 1 . . . . . . . . 5863 1 829 . 1 1 180 180 GLY H H 1 7.616 0.02 . 1 . . . . . . . . 5863 1 830 . 1 1 180 180 GLY N N 15 105.544 0.1 . 1 . . . . . . . . 5863 1 831 . 1 1 180 180 GLY CA C 13 48.10 0.1 . 1 . . . . . . . . 5863 1 832 . 1 1 180 180 GLY C C 13 175.503 0.1 . 1 . . . . . . . . 5863 1 833 . 1 1 181 181 LEU H H 1 8.407 0.02 . 1 . . . . . . . . 5863 1 834 . 1 1 181 181 LEU N N 15 118.451 0.1 . 1 . . . . . . . . 5863 1 835 . 1 1 181 181 LEU CA C 13 56.31 0.1 . 1 . . . . . . . . 5863 1 836 . 1 1 181 181 LEU C C 13 175.663 0.1 . 1 . . . . . . . . 5863 1 837 . 1 1 181 181 LEU CB C 13 39.67 0.1 . 1 . . . . . . . . 5863 1 838 . 1 1 182 182 LYS H H 1 6.592 0.02 . 1 . . . . . . . . 5863 1 839 . 1 1 182 182 LYS N N 15 112.379 0.1 . 1 . . . . . . . . 5863 1 840 . 1 1 182 182 LYS CA C 13 58.15 0.1 . 1 . . . . . . . . 5863 1 841 . 1 1 182 182 LYS C C 13 177.049 0.1 . 1 . . . . . . . . 5863 1 842 . 1 1 182 182 LYS CB C 13 31.47 0.1 . 1 . . . . . . . . 5863 1 843 . 1 1 183 183 ASN H H 1 7.201 0.02 . 1 . . . . . . . . 5863 1 844 . 1 1 183 183 ASN N N 15 113.727 0.1 . 1 . . . . . . . . 5863 1 845 . 1 1 183 183 ASN CA C 13 53.94 0.1 . 1 . . . . . . . . 5863 1 846 . 1 1 183 183 ASN C C 13 174.016 0.1 . 1 . . . . . . . . 5863 1 847 . 1 1 183 183 ASN CB C 13 39.00 0.1 . 1 . . . . . . . . 5863 1 848 . 1 1 184 184 ILE H H 1 7.304 0.02 . 1 . . . . . . . . 5863 1 849 . 1 1 184 184 ILE N N 15 112.996 0.1 . 1 . . . . . . . . 5863 1 850 . 1 1 184 184 ILE CA C 13 59.48 0.1 . 1 . . . . . . . . 5863 1 851 . 1 1 184 184 ILE C C 13 171.585 0.1 . 1 . . . . . . . . 5863 1 852 . 1 1 184 184 ILE CB C 13 42.65 0.1 . 1 . . . . . . . . 5863 1 853 . 1 1 185 185 LYS H H 1 7.550 0.02 . 1 . . . . . . . . 5863 1 854 . 1 1 185 185 LYS N N 15 114.742 0.1 . 1 . . . . . . . . 5863 1 855 . 1 1 185 185 LYS CA C 13 53.06 0.1 . 1 . . . . . . . . 5863 1 856 . 1 1 185 185 LYS C C 13 175.985 0.1 . 1 . . . . . . . . 5863 1 857 . 1 1 185 185 LYS CB C 13 34.13 0.1 . 1 . . . . . . . . 5863 1 858 . 1 1 186 186 LYS H H 1 7.935 0.02 . 1 . . . . . . . . 5863 1 859 . 1 1 186 186 LYS N N 15 120.881 0.1 . 1 . . . . . . . . 5863 1 860 . 1 1 186 186 LYS CA C 13 60.04 0.1 . 1 . . . . . . . . 5863 1 861 . 1 1 186 186 LYS C C 13 176.306 0.1 . 1 . . . . . . . . 5863 1 862 . 1 1 186 186 LYS CB C 13 32.12 0.1 . 1 . . . . . . . . 5863 1 863 . 1 1 187 187 GLY H H 1 8.703 0.02 . 1 . . . . . . . . 5863 1 864 . 1 1 187 187 GLY N N 15 116.318 0.1 . 1 . . . . . . . . 5863 1 865 . 1 1 187 187 GLY CA C 13 44.54 0.1 . 1 . . . . . . . . 5863 1 866 . 1 1 187 187 GLY C C 13 175.583 0.1 . 1 . . . . . . . . 5863 1 867 . 1 1 188 188 GLY H H 1 8.876 0.02 . 1 . . . . . . . . 5863 1 868 . 1 1 188 188 GLY N N 15 109.924 0.1 . 1 . . . . . . . . 5863 1 869 . 1 1 188 188 GLY CA C 13 44.20 0.1 . 1 . . . . . . . . 5863 1 870 . 1 1 188 188 GLY C C 13 171.907 0.1 . 1 . . . . . . . . 5863 1 871 . 1 1 189 189 LYS H H 1 9.260 0.02 . 1 . . . . . . . . 5863 1 872 . 1 1 189 189 LYS N N 15 118.737 0.1 . 1 . . . . . . . . 5863 1 873 . 1 1 189 189 LYS CA C 13 54.83 0.1 . 1 . . . . . . . . 5863 1 874 . 1 1 189 189 LYS C C 13 174.980 0.1 . 1 . . . . . . . . 5863 1 875 . 1 1 189 189 LYS CB C 13 36.56 0.1 . 1 . . . . . . . . 5863 1 876 . 1 1 190 190 ILE H H 1 9.310 0.02 . 1 . . . . . . . . 5863 1 877 . 1 1 190 190 ILE N N 15 125.344 0.1 . 1 . . . . . . . . 5863 1 878 . 1 1 190 190 ILE CA C 13 58.60 0.1 . 1 . . . . . . . . 5863 1 879 . 1 1 190 190 ILE C C 13 170.641 0.1 . 1 . . . . . . . . 5863 1 880 . 1 1 190 190 ILE CB C 13 42.77 0.1 . 1 . . . . . . . . 5863 1 881 . 1 1 191 191 LYS H H 1 8.853 0.02 . 1 . . . . . . . . 5863 1 882 . 1 1 191 191 LYS N N 15 129.418 0.1 . 1 . . . . . . . . 5863 1 883 . 1 1 191 191 LYS CA C 13 54.27 0.1 . 1 . . . . . . . . 5863 1 884 . 1 1 191 191 LYS C C 13 175.703 0.1 . 1 . . . . . . . . 5863 1 885 . 1 1 191 191 LYS CB C 13 33.46 0.1 . 1 . . . . . . . . 5863 1 886 . 1 1 192 192 LEU H H 1 9.613 0.02 . 1 . . . . . . . . 5863 1 887 . 1 1 192 192 LEU N N 15 125.557 0.1 . 1 . . . . . . . . 5863 1 888 . 1 1 192 192 LEU CA C 13 52.88 0.1 . 1 . . . . . . . . 5863 1 889 . 1 1 192 192 LEU C C 13 174.599 0.1 . 1 . . . . . . . . 5863 1 890 . 1 1 192 192 LEU CB C 13 44.86 0.1 . 1 . . . . . . . . 5863 1 891 . 1 1 193 193 VAL H H 1 9.517 0.02 . 1 . . . . . . . . 5863 1 892 . 1 1 193 193 VAL N N 15 125.988 0.1 . 1 . . . . . . . . 5863 1 893 . 1 1 193 193 VAL CA C 13 61.89 0.1 . 1 . . . . . . . . 5863 1 894 . 1 1 193 193 VAL C C 13 174.599 0.1 . 1 . . . . . . . . 5863 1 895 . 1 1 193 193 VAL CB C 13 31.40 0.1 . 1 . . . . . . . . 5863 1 896 . 1 1 194 194 ILE H H 1 9.529 0.02 . 1 . . . . . . . . 5863 1 897 . 1 1 194 194 ILE N N 15 126.179 0.1 . 1 . . . . . . . . 5863 1 898 . 1 1 194 194 ILE CA C 13 59.05 0.1 . 1 . . . . . . . . 5863 1 899 . 1 1 194 194 ILE C C 13 173.675 0.1 . 1 . . . . . . . . 5863 1 900 . 1 1 194 194 ILE CB C 13 39.92 0.1 . 1 . . . . . . . . 5863 1 901 . 1 1 196 196 PRO CA C 13 64.24 0.1 . 1 . . . . . . . . 5863 1 902 . 1 1 196 196 PRO C C 13 180.103 0.1 . 1 . . . . . . . . 5863 1 903 . 1 1 196 196 PRO CB C 13 29.70 0.1 . 1 . . . . . . . . 5863 1 904 . 1 1 197 197 GLU H H 1 9.848 0.02 . 1 . . . . . . . . 5863 1 905 . 1 1 197 197 GLU N N 15 119.823 0.1 . 1 . . . . . . . . 5863 1 906 . 1 1 197 197 GLU CA C 13 58.72 0.1 . 1 . . . . . . . . 5863 1 907 . 1 1 197 197 GLU C C 13 177.773 0.1 . 1 . . . . . . . . 5863 1 908 . 1 1 197 197 GLU CB C 13 27.27 0.1 . 1 . . . . . . . . 5863 1 909 . 1 1 198 198 LEU H H 1 7.631 0.02 . 1 . . . . . . . . 5863 1 910 . 1 1 198 198 LEU N N 15 118.891 0.1 . 1 . . . . . . . . 5863 1 911 . 1 1 198 198 LEU CA C 13 52.73 0.1 . 1 . . . . . . . . 5863 1 912 . 1 1 198 198 LEU C C 13 174.498 0.1 . 1 . . . . . . . . 5863 1 913 . 1 1 198 198 LEU CB C 13 41.55 0.1 . 1 . . . . . . . . 5863 1 914 . 1 1 199 199 ALA H H 1 7.708 0.02 . 1 . . . . . . . . 5863 1 915 . 1 1 199 199 ALA N N 15 125.771 0.1 . 1 . . . . . . . . 5863 1 916 . 1 1 199 199 ALA CA C 13 50.96 0.1 . 1 . . . . . . . . 5863 1 917 . 1 1 199 199 ALA C C 13 175.422 0.1 . 1 . . . . . . . . 5863 1 918 . 1 1 199 199 ALA CB C 13 18.07 0.1 . 1 . . . . . . . . 5863 1 919 . 1 1 200 200 TYR H H 1 8.557 0.02 . 1 . . . . . . . . 5863 1 920 . 1 1 200 200 TYR N N 15 122.314 0.1 . 1 . . . . . . . . 5863 1 921 . 1 1 200 200 TYR CA C 13 58.49 0.1 . 1 . . . . . . . . 5863 1 922 . 1 1 200 200 TYR C C 13 176.849 0.1 . 1 . . . . . . . . 5863 1 923 . 1 1 200 200 TYR CB C 13 37.34 0.1 . 1 . . . . . . . . 5863 1 924 . 1 1 201 201 GLY H H 1 8.388 0.02 . 1 . . . . . . . . 5863 1 925 . 1 1 201 201 GLY N N 15 107.879 0.1 . 1 . . . . . . . . 5863 1 926 . 1 1 201 201 GLY CA C 13 45.86 0.1 . 1 . . . . . . . . 5863 1 927 . 1 1 201 201 GLY C C 13 175.041 0.1 . 1 . . . . . . . . 5863 1 928 . 1 1 202 202 LYS H H 1 8.641 0.02 . 1 . . . . . . . . 5863 1 929 . 1 1 202 202 LYS N N 15 125.050 0.1 . 1 . . . . . . . . 5863 1 930 . 1 1 202 202 LYS CA C 13 58.04 0.1 . 1 . . . . . . . . 5863 1 931 . 1 1 202 202 LYS C C 13 176.808 0.1 . 1 . . . . . . . . 5863 1 932 . 1 1 202 202 LYS CB C 13 31.42 0.1 . 1 . . . . . . . . 5863 1 933 . 1 1 203 203 ALA H H 1 8.222 0.02 . 1 . . . . . . . . 5863 1 934 . 1 1 203 203 ALA N N 15 118.599 0.1 . 1 . . . . . . . . 5863 1 935 . 1 1 203 203 ALA CA C 13 52.84 0.1 . 1 . . . . . . . . 5863 1 936 . 1 1 203 203 ALA C C 13 179.862 0.1 . 1 . . . . . . . . 5863 1 937 . 1 1 203 203 ALA CB C 13 18.52 0.1 . 1 . . . . . . . . 5863 1 938 . 1 1 204 204 GLY H H 1 7.290 0.02 . 1 . . . . . . . . 5863 1 939 . 1 1 204 204 GLY N N 15 103.205 0.1 . 1 . . . . . . . . 5863 1 940 . 1 1 204 204 GLY CA C 13 44.29 0.1 . 1 . . . . . . . . 5863 1 941 . 1 1 204 204 GLY C C 13 172.148 0.1 . 1 . . . . . . . . 5863 1 942 . 1 1 205 205 VAL H H 1 7.650 0.02 . 1 . . . . . . . . 5863 1 943 . 1 1 205 205 VAL N N 15 115.072 0.1 . 1 . . . . . . . . 5863 1 944 . 1 1 205 205 VAL CA C 13 58.73 0.1 . 1 . . . . . . . . 5863 1 945 . 1 1 205 205 VAL C C 13 173.353 0.1 . 1 . . . . . . . . 5863 1 946 . 1 1 205 205 VAL CB C 13 31.80 0.1 . 1 . . . . . . . . 5863 1 947 . 1 1 206 206 PRO CA C 13 65.44 0.1 . 1 . . . . . . . . 5863 1 948 . 1 1 206 206 PRO C C 13 177.491 0.1 . 1 . . . . . . . . 5863 1 949 . 1 1 206 206 PRO CB C 13 29.82 0.1 . 1 . . . . . . . . 5863 1 950 . 1 1 207 207 GLY H H 1 8.387 0.02 . 1 . . . . . . . . 5863 1 951 . 1 1 207 207 GLY N N 15 113.556 0.1 . 1 . . . . . . . . 5863 1 952 . 1 1 207 207 GLY CA C 13 44.77 0.1 . 1 . . . . . . . . 5863 1 953 . 1 1 207 207 GLY C C 13 173.474 0.1 . 1 . . . . . . . . 5863 1 954 . 1 1 208 208 ILE H H 1 8.400 0.02 . 1 . . . . . . . . 5863 1 955 . 1 1 208 208 ILE N N 15 121.497 0.1 . 1 . . . . . . . . 5863 1 956 . 1 1 208 208 ILE CA C 13 57.42 0.1 . 1 . . . . . . . . 5863 1 957 . 1 1 208 208 ILE C C 13 173.293 0.1 . 1 . . . . . . . . 5863 1 958 . 1 1 208 208 ILE CB C 13 40.48 0.1 . 1 . . . . . . . . 5863 1 959 . 1 1 211 211 ASN CA C 13 52.83 0.1 . 1 . . . . . . . . 5863 1 960 . 1 1 211 211 ASN C C 13 174.518 0.1 . 1 . . . . . . . . 5863 1 961 . 1 1 212 212 SER H H 1 7.857 0.02 . 1 . . . . . . . . 5863 1 962 . 1 1 212 212 SER N N 15 114.349 0.1 . 1 . . . . . . . . 5863 1 963 . 1 1 212 212 SER CA C 13 60.22 0.1 . 1 . . . . . . . . 5863 1 964 . 1 1 212 212 SER C C 13 174.197 0.1 . 1 . . . . . . . . 5863 1 965 . 1 1 212 212 SER CB C 13 63.12 0.1 . 1 . . . . . . . . 5863 1 966 . 1 1 213 213 THR H H 1 8.663 0.02 . 1 . . . . . . . . 5863 1 967 . 1 1 213 213 THR N N 15 124.841 0.1 . 1 . . . . . . . . 5863 1 968 . 1 1 213 213 THR CA C 13 62.62 0.1 . 1 . . . . . . . . 5863 1 969 . 1 1 213 213 THR C C 13 173.233 0.1 . 1 . . . . . . . . 5863 1 970 . 1 1 213 213 THR CB C 13 68.99 0.1 . 1 . . . . . . . . 5863 1 971 . 1 1 214 214 LEU H H 1 8.416 0.02 . 1 . . . . . . . . 5863 1 972 . 1 1 214 214 LEU N N 15 125.203 0.1 . 1 . . . . . . . . 5863 1 973 . 1 1 214 214 LEU CA C 13 52.34 0.1 . 1 . . . . . . . . 5863 1 974 . 1 1 214 214 LEU C C 13 175.041 0.1 . 1 . . . . . . . . 5863 1 975 . 1 1 214 214 LEU CB C 13 44.50 0.1 . 1 . . . . . . . . 5863 1 976 . 1 1 215 215 VAL H H 1 8.619 0.02 . 1 . . . . . . . . 5863 1 977 . 1 1 215 215 VAL N N 15 122.926 0.1 . 1 . . . . . . . . 5863 1 978 . 1 1 215 215 VAL CA C 13 60.52 0.1 . 1 . . . . . . . . 5863 1 979 . 1 1 215 215 VAL C C 13 176.045 0.1 . 1 . . . . . . . . 5863 1 980 . 1 1 215 215 VAL CB C 13 30.58 0.1 . 1 . . . . . . . . 5863 1 981 . 1 1 216 216 PHE H H 1 9.806 0.02 . 1 . . . . . . . . 5863 1 982 . 1 1 216 216 PHE N N 15 123.407 0.1 . 1 . . . . . . . . 5863 1 983 . 1 1 216 216 PHE CA C 13 55.32 0.1 . 1 . . . . . . . . 5863 1 984 . 1 1 216 216 PHE C C 13 174.880 0.1 . 1 . . . . . . . . 5863 1 985 . 1 1 216 216 PHE CB C 13 43.10 0.1 . 1 . . . . . . . . 5863 1 986 . 1 1 217 217 ASP H H 1 8.740 0.02 . 1 . . . . . . . . 5863 1 987 . 1 1 217 217 ASP N N 15 123.511 0.1 . 1 . . . . . . . . 5863 1 988 . 1 1 217 217 ASP CA C 13 54.08 0.1 . 1 . . . . . . . . 5863 1 989 . 1 1 217 217 ASP C C 13 176.286 0.1 . 1 . . . . . . . . 5863 1 990 . 1 1 217 217 ASP CB C 13 42.87 0.1 . 1 . . . . . . . . 5863 1 991 . 1 1 218 218 VAL H H 1 9.041 0.02 . 1 . . . . . . . . 5863 1 992 . 1 1 218 218 VAL N N 15 123.842 0.1 . 1 . . . . . . . . 5863 1 993 . 1 1 218 218 VAL CA C 13 60.93 0.1 . 1 . . . . . . . . 5863 1 994 . 1 1 218 218 VAL C C 13 174.036 0.1 . 1 . . . . . . . . 5863 1 995 . 1 1 218 218 VAL CB C 13 33.69 0.1 . 1 . . . . . . . . 5863 1 996 . 1 1 219 219 GLU H H 1 9.165 0.02 . 1 . . . . . . . . 5863 1 997 . 1 1 219 219 GLU N N 15 127.974 0.1 . 1 . . . . . . . . 5863 1 998 . 1 1 219 219 GLU CA C 13 54.33 0.1 . 1 . . . . . . . . 5863 1 999 . 1 1 219 219 GLU C C 13 174.558 0.1 . 1 . . . . . . . . 5863 1 1000 . 1 1 219 219 GLU CB C 13 32.11 0.1 . 1 . . . . . . . . 5863 1 1001 . 1 1 220 220 LEU H H 1 8.420 0.02 . 1 . . . . . . . . 5863 1 1002 . 1 1 220 220 LEU N N 15 127.616 0.1 . 1 . . . . . . . . 5863 1 1003 . 1 1 220 220 LEU CA C 13 53.62 0.1 . 1 . . . . . . . . 5863 1 1004 . 1 1 220 220 LEU C C 13 174.634 0.1 . 1 . . . . . . . . 5863 1 1005 . 1 1 220 220 LEU CB C 13 42.14 0.1 . 1 . . . . . . . . 5863 1 1006 . 1 1 221 221 LEU H H 1 8.993 0.02 . 1 . . . . . . . . 5863 1 1007 . 1 1 221 221 LEU N N 15 129.296 0.1 . 1 . . . . . . . . 5863 1 1008 . 1 1 221 221 LEU CA C 13 56.34 0.1 . 1 . . . . . . . . 5863 1 1009 . 1 1 221 221 LEU C C 13 177.933 0.1 . 1 . . . . . . . . 5863 1 1010 . 1 1 221 221 LEU CB C 13 41.90 0.1 . 1 . . . . . . . . 5863 1 1011 . 1 1 222 222 ASP H H 1 7.797 0.02 . 1 . . . . . . . . 5863 1 1012 . 1 1 222 222 ASP N N 15 114.032 0.1 . 1 . . . . . . . . 5863 1 1013 . 1 1 222 222 ASP CA C 13 52.84 0.1 . 1 . . . . . . . . 5863 1 1014 . 1 1 222 222 ASP C C 13 173.634 0.1 . 1 . . . . . . . . 5863 1 1015 . 1 1 222 222 ASP CB C 13 43.10 0.1 . 1 . . . . . . . . 5863 1 1016 . 1 1 223 223 VAL H H 1 8.301 0.02 . 1 . . . . . . . . 5863 1 1017 . 1 1 223 223 VAL N N 15 121.229 0.1 . 1 . . . . . . . . 5863 1 1018 . 1 1 223 223 VAL CA C 13 61.14 0.1 . 1 . . . . . . . . 5863 1 1019 . 1 1 223 223 VAL C C 13 174.337 0.1 . 1 . . . . . . . . 5863 1 1020 . 1 1 223 223 VAL CB C 13 34.46 0.1 . 1 . . . . . . . . 5863 1 1021 . 1 1 224 224 LYS H H 1 9.345 0.02 . 1 . . . . . . . . 5863 1 1022 . 1 1 224 224 LYS N N 15 128.400 0.1 . 1 . . . . . . . . 5863 1 1023 . 1 1 224 224 LYS CA C 13 52.06 0.1 . 1 . . . . . . . . 5863 1 1024 . 1 1 224 224 LYS C C 13 173.233 0.1 . 1 . . . . . . . . 5863 1 1025 . 1 1 224 224 LYS CB C 13 32.47 0.1 . 1 . . . . . . . . 5863 1 1026 . 1 1 225 225 PRO CA C 13 61.68 0.1 . 1 . . . . . . . . 5863 1 1027 . 1 1 225 225 PRO C C 13 177.029 0.1 . 1 . . . . . . . . 5863 1 1028 . 1 1 225 225 PRO CB C 13 31.72 0.1 . 1 . . . . . . . . 5863 1 1029 . 1 1 226 226 ALA H H 1 8.522 0.02 . 1 . . . . . . . . 5863 1 1030 . 1 1 226 226 ALA N N 15 126.294 0.1 . 1 . . . . . . . . 5863 1 1031 . 1 1 226 226 ALA CA C 13 50.16 0.1 . 1 . . . . . . . . 5863 1 1032 . 1 1 226 226 ALA C C 13 176.326 0.1 . 1 . . . . . . . . 5863 1 1033 . 1 1 226 226 ALA CB C 13 17.30 0.1 . 1 . . . . . . . . 5863 1 1034 . 1 1 227 227 PRO CA C 13 62.25 0.1 . 1 . . . . . . . . 5863 1 1035 . 1 1 227 227 PRO C C 13 176.931 0.1 . 1 . . . . . . . . 5863 1 1036 . 1 1 227 227 PRO CB C 13 31.77 0.1 . 1 . . . . . . . . 5863 1 1037 . 1 1 228 228 LYS H H 1 8.264 0.02 . 1 . . . . . . . . 5863 1 1038 . 1 1 228 228 LYS N N 15 122.067 0.1 . 1 . . . . . . . . 5863 1 1039 . 1 1 228 228 LYS CA C 13 55.50 0.1 . 1 . . . . . . . . 5863 1 1040 . 1 1 228 228 LYS C C 13 176.594 0.1 . 1 . . . . . . . . 5863 1 1041 . 1 1 228 228 LYS CB C 13 31.77 0.1 . 1 . . . . . . . . 5863 1 1042 . 1 1 229 229 ALA H H 1 8.320 0.02 . 1 . . . . . . . . 5863 1 1043 . 1 1 229 229 ALA N N 15 126.307 0.1 . 1 . . . . . . . . 5863 1 1044 . 1 1 229 229 ALA CA C 13 51.95 0.1 . 1 . . . . . . . . 5863 1 1045 . 1 1 229 229 ALA C C 13 177.478 0.1 . 1 . . . . . . . . 5863 1 1046 . 1 1 229 229 ALA CB C 13 18.52 0.1 . 1 . . . . . . . . 5863 1 1047 . 1 1 230 230 ASP H H 1 8.201 0.02 . 1 . . . . . . . . 5863 1 1048 . 1 1 230 230 ASP N N 15 119.948 0.1 . 1 . . . . . . . . 5863 1 1049 . 1 1 230 230 ASP CA C 13 53.50 0.1 . 1 . . . . . . . . 5863 1 1050 . 1 1 230 230 ASP C C 13 175.871 0.1 . 1 . . . . . . . . 5863 1 1051 . 1 1 230 230 ASP CB C 13 40.33 0.1 . 1 . . . . . . . . 5863 1 1052 . 1 1 231 231 ALA H H 1 7.989 0.02 . 1 . . . . . . . . 5863 1 1053 . 1 1 231 231 ALA N N 15 124.572 0.1 . 1 . . . . . . . . 5863 1 1054 . 1 1 231 231 ALA CA C 13 51.73 0.1 . 1 . . . . . . . . 5863 1 1055 . 1 1 231 231 ALA C C 13 177.297 0.1 . 1 . . . . . . . . 5863 1 1056 . 1 1 231 231 ALA CB C 13 18.06 0.1 . 1 . . . . . . . . 5863 1 1057 . 1 1 232 232 LYS H H 1 8.238 0.02 . 1 . . . . . . . . 5863 1 1058 . 1 1 232 232 LYS N N 15 122.645 0.1 . 1 . . . . . . . . 5863 1 1059 . 1 1 232 232 LYS CA C 13 53.44 0.1 . 1 . . . . . . . . 5863 1 1060 . 1 1 232 232 LYS C C 13 175.489 0.1 . 1 . . . . . . . . 5863 1 1061 . 1 1 232 232 LYS CB C 13 31.49 0.1 . 1 . . . . . . . . 5863 1 1062 . 1 1 233 233 PRO CA C 13 62.47 0.1 . 1 . . . . . . . . 5863 1 1063 . 1 1 233 233 PRO C C 13 177.277 0.1 . 1 . . . . . . . . 5863 1 1064 . 1 1 233 233 PRO CB C 13 30.87 0.1 . 1 . . . . . . . . 5863 1 1065 . 1 1 234 234 GLU H H 1 8.458 0.02 . 1 . . . . . . . . 5863 1 1066 . 1 1 234 234 GLU N N 15 121.489 0.1 . 1 . . . . . . . . 5863 1 1067 . 1 1 234 234 GLU CA C 13 56.24 0.1 . 1 . . . . . . . . 5863 1 1068 . 1 1 234 234 GLU C C 13 176.634 0.1 . 1 . . . . . . . . 5863 1 1069 . 1 1 234 234 GLU CB C 13 29.25 0.1 . 1 . . . . . . . . 5863 1 1070 . 1 1 235 235 ALA H H 1 8.240 0.02 . 1 . . . . . . . . 5863 1 1071 . 1 1 235 235 ALA N N 15 125.150 0.1 . 1 . . . . . . . . 5863 1 1072 . 1 1 235 235 ALA CA C 13 52.33 0.1 . 1 . . . . . . . . 5863 1 1073 . 1 1 235 235 ALA C C 13 177.739 0.1 . 1 . . . . . . . . 5863 1 1074 . 1 1 235 235 ALA CB C 13 18.41 0.1 . 1 . . . . . . . . 5863 1 1075 . 1 1 236 236 ASP H H 1 8.175 0.02 . 1 . . . . . . . . 5863 1 1076 . 1 1 236 236 ASP N N 15 119.755 0.1 . 1 . . . . . . . . 5863 1 1077 . 1 1 236 236 ASP CA C 13 53.88 0.1 . 1 . . . . . . . . 5863 1 1078 . 1 1 236 236 ASP C C 13 176.574 0.1 . 1 . . . . . . . . 5863 1 1079 . 1 1 236 236 ASP CB C 13 40.38 0.1 . 1 . . . . . . . . 5863 1 1080 . 1 1 237 237 ALA H H 1 8.143 0.02 . 1 . . . . . . . . 5863 1 1081 . 1 1 237 237 ALA N N 15 125.343 0.1 . 1 . . . . . . . . 5863 1 1082 . 1 1 237 237 ALA CA C 13 52.77 0.1 . 1 . . . . . . . . 5863 1 1083 . 1 1 237 237 ALA C C 13 178.442 0.1 . 1 . . . . . . . . 5863 1 1084 . 1 1 237 237 ALA CB C 13 18.11 0.1 . 1 . . . . . . . . 5863 1 1085 . 1 1 238 238 LYS H H 1 8.142 0.02 . 1 . . . . . . . . 5863 1 1086 . 1 1 238 238 LYS N N 15 119.562 0.1 . 1 . . . . . . . . 5863 1 1087 . 1 1 238 238 LYS CA C 13 56.31 0.1 . 1 . . . . . . . . 5863 1 1088 . 1 1 238 238 LYS C C 13 177.237 0.1 . 1 . . . . . . . . 5863 1 1089 . 1 1 238 238 LYS CB C 13 31.46 0.1 . 1 . . . . . . . . 5863 1 1090 . 1 1 239 239 ALA H H 1 8.002 0.02 . 1 . . . . . . . . 5863 1 1091 . 1 1 239 239 ALA N N 15 124.765 0.1 . 1 . . . . . . . . 5863 1 1092 . 1 1 239 239 ALA CA C 13 52.48 0.1 . 1 . . . . . . . . 5863 1 1093 . 1 1 239 239 ALA C C 13 178.422 0.1 . 1 . . . . . . . . 5863 1 1094 . 1 1 239 239 ALA CB C 13 18.33 0.1 . 1 . . . . . . . . 5863 1 1095 . 1 1 240 240 ALA H H 1 8.130 0.02 . 1 . . . . . . . . 5863 1 1096 . 1 1 240 240 ALA N N 15 123.031 0.1 . 1 . . . . . . . . 5863 1 1097 . 1 1 240 240 ALA CA C 13 52.67 0.1 . 1 . . . . . . . . 5863 1 1098 . 1 1 240 240 ALA C C 13 178.322 0.1 . 1 . . . . . . . . 5863 1 1099 . 1 1 240 240 ALA CB C 13 18.06 0.1 . 1 . . . . . . . . 5863 1 1100 . 1 1 241 241 ASP H H 1 8.124 0.02 . 1 . . . . . . . . 5863 1 1101 . 1 1 241 241 ASP N N 15 119.562 0.1 . 1 . . . . . . . . 5863 1 1102 . 1 1 241 241 ASP CA C 13 54.60 0.1 . 1 . . . . . . . . 5863 1 1103 . 1 1 241 241 ASP C C 13 177.056 0.1 . 1 . . . . . . . . 5863 1 1104 . 1 1 241 241 ASP CB C 13 40.47 0.1 . 1 . . . . . . . . 5863 1 1105 . 1 1 242 242 SER H H 1 8.079 0.02 . 1 . . . . . . . . 5863 1 1106 . 1 1 242 242 SER N N 15 116.479 0.1 . 1 . . . . . . . . 5863 1 1107 . 1 1 242 242 SER CA C 13 58.60 0.1 . 1 . . . . . . . . 5863 1 1108 . 1 1 242 242 SER C C 13 175.086 0.1 . 1 . . . . . . . . 5863 1 1109 . 1 1 242 242 SER CB C 13 62.58 0.1 . 1 . . . . . . . . 5863 1 1110 . 1 1 243 243 ALA H H 1 8.066 0.02 . 1 . . . . . . . . 5863 1 1111 . 1 1 243 243 ALA N N 15 124.958 0.1 . 1 . . . . . . . . 5863 1 1112 . 1 1 243 243 ALA CA C 13 52.62 0.1 . 1 . . . . . . . . 5863 1 1113 . 1 1 243 243 ALA C C 13 178.442 0.1 . 1 . . . . . . . . 5863 1 1114 . 1 1 243 243 ALA CB C 13 18.18 0.1 . 1 . . . . . . . . 5863 1 1115 . 1 1 244 244 LYS H H 1 7.813 0.02 . 1 . . . . . . . . 5863 1 1116 . 1 1 244 244 LYS N N 15 118.984 0.1 . 1 . . . . . . . . 5863 1 1117 . 1 1 244 244 LYS CA C 13 56.38 0.1 . 1 . . . . . . . . 5863 1 1118 . 1 1 244 244 LYS C C 13 177.056 0.1 . 1 . . . . . . . . 5863 1 1119 . 1 1 244 244 LYS CB C 13 31.58 0.1 . 1 . . . . . . . . 5863 1 1120 . 1 1 245 245 LYS H H 1 7.878 0.02 . 1 . . . . . . . . 5863 1 1121 . 1 1 245 245 LYS N N 15 120.911 0.1 . 1 . . . . . . . . 5863 1 1122 . 1 1 245 245 LYS CA C 13 56.05 0.1 . 1 . . . . . . . . 5863 1 1123 . 1 1 245 245 LYS CB C 13 31.69 0.1 . 1 . . . . . . . . 5863 1 stop_ save_