data_5093 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5093 _Entry.Title ; Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for Ribosome-binding Factor A (RbfA) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-08-02 _Entry.Accession_date 2001-08-02 _Entry.Last_release_date 2002-03-04 _Entry.Original_release_date 2002-03-04 _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 G. Swapna . V.T. . 5093 2 Kamal Shukla . . . 5093 3 YJ Huang . . . 5093 4 H. Ke . . . 5093 5 B. Xia . . . 5093 6 Masayori Inouye . . . 5093 7 Gaetano Montelione . T. . 5093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 727 5093 '13C chemical shifts' 442 5093 '15N chemical shifts' 108 5093 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 . . 2002-03-04 2001-08-02 original author . 5093 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5093 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11824762 _Citation.Full_citation . _Citation.Title ; Resonance assignments for cold-shock protein ribosome-binding factor A (RbfA) from Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _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 389 _Citation.Page_last 390 _Citation.Year 2001 _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 G. Swapna . V.T. . 5093 1 2 Kamal Shukla . . . 5093 1 3 YJ Huang . . . 5093 1 4 H. Ke . . . 5093 1 5 B. Xia . . . 5093 1 6 Masayori Inouye . . . 5093 1 7 Gaetano Montelione . T. . 5093 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ribosome-binding Factor A' 5093 1 RbfA 5093 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 5093 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9217263 _Citation.Full_citation ; Zimmerman, D. E., Kulikowski, C. A., Huang, Y., Feng, W., Tashiro, M., Shimotakahara, S., Chien, C. Y., Powers, R., and Montelione, G. T. J. Mol. Biol. 269, 592-610, (1997) ; _Citation.Title 'Automated analysis of protein NMR assignments using methods from artificial intelligence.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 269 _Citation.Journal_issue 4 _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 592 _Citation.Page_last 610 _Citation.Year 1997 _Citation.Details ; An expert system for determining resonance assignments from NMR spectra of proteins is described. Given the amino acid sequence, a two-dimensional 15N-1H heteronuclear correlation spectrum and seven to eight three-dimensional triple-resonance NMR spectra for seven proteins, AUTOASSIGN obtained an average of 98% of sequence-specific spin-system assignments with an error rate of less than 0.5%. Execution times on a Sparc 10 workstation varied from 16 seconds for smaller proteins with simple spectra to one to nine minutes for medium size proteins exhibiting numerous extra spin systems attributed to conformational isomerization. AUTOASSIGN combines symbolic constraint satisfaction methods with a domain-specific knowledge base to exploit the logical structure of the sequential assignment problem, the specific features of the various NMR experiments, and the expected chemical shift frequencies of different amino acids. The current implementation specializes in the analysis of data derived from the most sensitive of the currently available triple-resonance experiments. Potential extensions of the system for analysis of additional types of protein NMR data are also discussed. ; 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 'D E' Zimmerman D. E. . 5093 2 2 'C A' Kulikowski C. A. . 5093 2 3 Y Huang Y. . . 5093 2 4 W Feng W. . . 5093 2 5 M Tashiro M. . . 5093 2 6 S Shimotakahara S. . . 5093 2 7 C Chien C. . . 5093 2 8 R Powers R. . . 5093 2 9 'G T' Montelione G. T. . 5093 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RbfA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RbfA _Assembly.Entry_ID 5093 _Assembly.ID 1 _Assembly.Name RbfADelta25 _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 monomer 5093 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 'Ribosome-binding Factor A' 1 $RbfA . . . native . . . . . 5093 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RbfADelta25 system 5093 1 RbfA abbreviation 5093 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cold-shock adaptation protein from the bacterium Escherichia Coli' 5093 1 'RbfA is probably involved in ribosome maturation and/or translation initiation' 5093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RbfA _Entity.Sf_category entity _Entity.Sf_framecode RbfA _Entity.Entry_ID 5093 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RbfA _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 ; MAKEFGRPQRVAQEMQKEIA LILQREIKDPRLGMMTTVSG VEMSRDLAYAKVYVTFLNDK DEDAVKAGIKALQEASGFIR SLLGKAMRLRIVPELTFFYD NSLVEGMR ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12300 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18147 . RbfA . . . . . 100.00 147 100.00 100.00 9.40e-71 . . . . 5093 1 2 no PDB 1KKG . "Nmr Structure Of Ribosome-Binding Factor A (Rbfa)" . . . . . 99.07 108 100.00 100.00 4.75e-70 . . . . 5093 1 3 no DBJ BAB37471 . "ribosome-binding factor A [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 4 no DBJ BAE77213 . "30s ribosome binding factor [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 5 no DBJ BAG78977 . "ribosome-binding factor A [Escherichia coli SE11]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 6 no DBJ BAH65352 . "ribosome-binding factor A [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 133 98.15 99.07 4.00e-69 . . . . 5093 1 7 no DBJ BAI27447 . "30S ribosome binding factor RbfA [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 8 no EMBL CAA31634 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 9 no EMBL CAA32020 . "P15B gene product (AA 1 - 133) [Escherichia coli]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 10 no EMBL CAP77629 . "ribosome-binding factor A [Escherichia coli LF82]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 11 no EMBL CAQ33502 . "30S ribosome binding factor [Escherichia coli BL21(DE3)]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 12 no EMBL CAQ90639 . "30s ribosome binding factor [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 13 no GB AAA57970 . "P15B [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 14 no GB AAC76201 . "30s ribosome binding factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 15 no GB AAG58303 . "ribosome-binding factor A [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 16 no GB AAL22157 . "ribosome-binding factor [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 133 98.15 100.00 8.60e-70 . . . . 5093 1 17 no GB AAN44675 . "ribosome-binding factor A [Shigella flexneri 2a str. 301]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 18 no REF NP_289743 . "ribosome-binding factor A [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 19 no REF NP_312075 . "ribosome-binding factor A [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 20 no REF NP_417636 . "30s ribosome binding factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 21 no REF NP_462198 . "ribosome-binding factor A [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 133 98.15 100.00 8.60e-70 . . . . 5093 1 22 no REF NP_708968 . "ribosome-binding factor A [Shigella flexneri 2a str. 301]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 23 no SP A1AG72 . "RecName: Full=Ribosome-binding factor A [Escherichia coli APEC O1]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 24 no SP A6TEI6 . "RecName: Full=Ribosome-binding factor A [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" . . . . . 100.00 133 98.15 99.07 4.00e-69 . . . . 5093 1 25 no SP A7ZS64 . "RecName: Full=Ribosome-binding factor A [Escherichia coli E24377A]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 26 no SP A8A4Y3 . "RecName: Full=Ribosome-binding factor A [Escherichia coli HS]" . . . . . 100.00 133 100.00 100.00 7.98e-71 . . . . 5093 1 27 no SP A8AQ56 . "RecName: Full=Ribosome-binding factor A [Citrobacter koseri ATCC BAA-895]" . . . . . 100.00 133 98.15 100.00 4.88e-70 . . . . 5093 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RbfA common 5093 1 RbfA abbreviation 5093 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5093 1 2 . ALA . 5093 1 3 . LYS . 5093 1 4 . GLU . 5093 1 5 . PHE . 5093 1 6 . GLY . 5093 1 7 . ARG . 5093 1 8 . PRO . 5093 1 9 . GLN . 5093 1 10 . ARG . 5093 1 11 . VAL . 5093 1 12 . ALA . 5093 1 13 . GLN . 5093 1 14 . GLU . 5093 1 15 . MET . 5093 1 16 . GLN . 5093 1 17 . LYS . 5093 1 18 . GLU . 5093 1 19 . ILE . 5093 1 20 . ALA . 5093 1 21 . LEU . 5093 1 22 . ILE . 5093 1 23 . LEU . 5093 1 24 . GLN . 5093 1 25 . ARG . 5093 1 26 . GLU . 5093 1 27 . ILE . 5093 1 28 . LYS . 5093 1 29 . ASP . 5093 1 30 . PRO . 5093 1 31 . ARG . 5093 1 32 . LEU . 5093 1 33 . GLY . 5093 1 34 . MET . 5093 1 35 . MET . 5093 1 36 . THR . 5093 1 37 . THR . 5093 1 38 . VAL . 5093 1 39 . SER . 5093 1 40 . GLY . 5093 1 41 . VAL . 5093 1 42 . GLU . 5093 1 43 . MET . 5093 1 44 . SER . 5093 1 45 . ARG . 5093 1 46 . ASP . 5093 1 47 . LEU . 5093 1 48 . ALA . 5093 1 49 . TYR . 5093 1 50 . ALA . 5093 1 51 . LYS . 5093 1 52 . VAL . 5093 1 53 . TYR . 5093 1 54 . VAL . 5093 1 55 . THR . 5093 1 56 . PHE . 5093 1 57 . LEU . 5093 1 58 . ASN . 5093 1 59 . ASP . 5093 1 60 . LYS . 5093 1 61 . ASP . 5093 1 62 . GLU . 5093 1 63 . ASP . 5093 1 64 . ALA . 5093 1 65 . VAL . 5093 1 66 . LYS . 5093 1 67 . ALA . 5093 1 68 . GLY . 5093 1 69 . ILE . 5093 1 70 . LYS . 5093 1 71 . ALA . 5093 1 72 . LEU . 5093 1 73 . GLN . 5093 1 74 . GLU . 5093 1 75 . ALA . 5093 1 76 . SER . 5093 1 77 . GLY . 5093 1 78 . PHE . 5093 1 79 . ILE . 5093 1 80 . ARG . 5093 1 81 . SER . 5093 1 82 . LEU . 5093 1 83 . LEU . 5093 1 84 . GLY . 5093 1 85 . LYS . 5093 1 86 . ALA . 5093 1 87 . MET . 5093 1 88 . ARG . 5093 1 89 . LEU . 5093 1 90 . ARG . 5093 1 91 . ILE . 5093 1 92 . VAL . 5093 1 93 . PRO . 5093 1 94 . GLU . 5093 1 95 . LEU . 5093 1 96 . THR . 5093 1 97 . PHE . 5093 1 98 . PHE . 5093 1 99 . TYR . 5093 1 100 . ASP . 5093 1 101 . ASN . 5093 1 102 . SER . 5093 1 103 . LEU . 5093 1 104 . VAL . 5093 1 105 . GLU . 5093 1 106 . GLY . 5093 1 107 . MET . 5093 1 108 . ARG . 5093 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5093 1 . ALA 2 2 5093 1 . LYS 3 3 5093 1 . GLU 4 4 5093 1 . PHE 5 5 5093 1 . GLY 6 6 5093 1 . ARG 7 7 5093 1 . PRO 8 8 5093 1 . GLN 9 9 5093 1 . ARG 10 10 5093 1 . VAL 11 11 5093 1 . ALA 12 12 5093 1 . GLN 13 13 5093 1 . GLU 14 14 5093 1 . MET 15 15 5093 1 . GLN 16 16 5093 1 . LYS 17 17 5093 1 . GLU 18 18 5093 1 . ILE 19 19 5093 1 . ALA 20 20 5093 1 . LEU 21 21 5093 1 . ILE 22 22 5093 1 . LEU 23 23 5093 1 . GLN 24 24 5093 1 . ARG 25 25 5093 1 . GLU 26 26 5093 1 . ILE 27 27 5093 1 . LYS 28 28 5093 1 . ASP 29 29 5093 1 . PRO 30 30 5093 1 . ARG 31 31 5093 1 . LEU 32 32 5093 1 . GLY 33 33 5093 1 . MET 34 34 5093 1 . MET 35 35 5093 1 . THR 36 36 5093 1 . THR 37 37 5093 1 . VAL 38 38 5093 1 . SER 39 39 5093 1 . GLY 40 40 5093 1 . VAL 41 41 5093 1 . GLU 42 42 5093 1 . MET 43 43 5093 1 . SER 44 44 5093 1 . ARG 45 45 5093 1 . ASP 46 46 5093 1 . LEU 47 47 5093 1 . ALA 48 48 5093 1 . TYR 49 49 5093 1 . ALA 50 50 5093 1 . LYS 51 51 5093 1 . VAL 52 52 5093 1 . TYR 53 53 5093 1 . VAL 54 54 5093 1 . THR 55 55 5093 1 . PHE 56 56 5093 1 . LEU 57 57 5093 1 . ASN 58 58 5093 1 . ASP 59 59 5093 1 . LYS 60 60 5093 1 . ASP 61 61 5093 1 . GLU 62 62 5093 1 . ASP 63 63 5093 1 . ALA 64 64 5093 1 . VAL 65 65 5093 1 . LYS 66 66 5093 1 . ALA 67 67 5093 1 . GLY 68 68 5093 1 . ILE 69 69 5093 1 . LYS 70 70 5093 1 . ALA 71 71 5093 1 . LEU 72 72 5093 1 . GLN 73 73 5093 1 . GLU 74 74 5093 1 . ALA 75 75 5093 1 . SER 76 76 5093 1 . GLY 77 77 5093 1 . PHE 78 78 5093 1 . ILE 79 79 5093 1 . ARG 80 80 5093 1 . SER 81 81 5093 1 . LEU 82 82 5093 1 . LEU 83 83 5093 1 . GLY 84 84 5093 1 . LYS 85 85 5093 1 . ALA 86 86 5093 1 . MET 87 87 5093 1 . ARG 88 88 5093 1 . LEU 89 89 5093 1 . ARG 90 90 5093 1 . ILE 91 91 5093 1 . VAL 92 92 5093 1 . PRO 93 93 5093 1 . GLU 94 94 5093 1 . LEU 95 95 5093 1 . THR 96 96 5093 1 . PHE 97 97 5093 1 . PHE 98 98 5093 1 . TYR 99 99 5093 1 . ASP 100 100 5093 1 . ASN 101 101 5093 1 . SER 102 102 5093 1 . LEU 103 103 5093 1 . VAL 104 104 5093 1 . GLU 105 105 5093 1 . GLY 106 106 5093 1 . MET 107 107 5093 1 . ARG 108 108 5093 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 5093 _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 $RbfA . 562 . . 'Escherichia coli' 'E. coli.' . . Eubacteria . Escherichia coli . . . . . . . . . . . . ribosome . . . . . . . . 5093 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 5093 _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 $RbfA . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET11a . . . ; Rbfa gene was cloned into expression plasmid pET11a, generating plasmid pETrbfA E.coli strain BL21(DE3) cell cultures transformed with pETrbfA were grown at 37 C in M9 minimal media containing U15N-(NH4)2SO4 and 13C-glucose as sole nitrogen and carbon sources. ; . . 5093 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5093 _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 RbfA '[U-13C; U-15N]' . . 1 $RbfA . . 1.6 . . mM . . . . 5093 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5093 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The sample stability was tested by recording a 1H-15N HSQC spectrum every 3 days. Mass spectra were also recorded on the 3rd and 7th day and every two weeks subsequently. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.05 0.05 n/a 5093 1 temperature 293 0.5 K 5093 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5093 _Software.ID 1 _Software.Name VNMR _Software.Version 6.3b _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5093 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5093 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.91 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 5093 2 stop_ save_ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 5093 _Software.ID 3 _Software.Name AUTOASSIGN _Software.Version 1.7.8 _Software.Details 'In-house developed software for automating the peak assignment process.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated backbone 1H, 13C and 15N assignments' 5093 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 5093 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5093 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5093 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5093 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 500 . . . 5093 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5093 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 5093 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 5 (HA)CA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 6 HA(CA)(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 7 (HA)CANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 8 HA(CA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 9 H(CCCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 10 (H)CC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 11 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 12 '13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 1 13 '15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5093 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 5093 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name (HA)CA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HA(CA)(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (HA)CANH _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HA(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CCCO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name (H)CC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-COSY _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5093 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5093 _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 . . . . . . . . . 5093 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5093 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5093 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 5093 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5093 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 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 5093 1 2 . 1 1 2 2 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 5093 1 3 . 1 1 2 2 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5093 1 4 . 1 1 2 2 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5093 1 5 . 1 1 2 2 ALA C C 13 173.7 0.20 . 1 . . . . . . . . 5093 1 6 . 1 1 2 2 ALA CA C 13 51.5 0.20 . 1 . . . . . . . . 5093 1 7 . 1 1 2 2 ALA CB C 13 19.4 0.20 . 1 . . . . . . . . 5093 1 8 . 1 1 3 3 LYS H H 1 8.58 0.02 . 1 . . . . . . . . 5093 1 9 . 1 1 3 3 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 5093 1 10 . 1 1 3 3 LYS HB2 H 1 1.60 0.02 . 1 . . . . . . . . 5093 1 11 . 1 1 3 3 LYS HB3 H 1 1.60 0.02 . 1 . . . . . . . . 5093 1 12 . 1 1 3 3 LYS HG2 H 1 1.25 0.02 . 1 . . . . . . . . 5093 1 13 . 1 1 3 3 LYS HG3 H 1 1.25 0.02 . 1 . . . . . . . . 5093 1 14 . 1 1 3 3 LYS HE2 H 1 2.87 0.02 . 1 . . . . . . . . 5093 1 15 . 1 1 3 3 LYS C C 13 174.0 0.20 . 1 . . . . . . . . 5093 1 16 . 1 1 3 3 LYS CA C 13 56.3 0.20 . 1 . . . . . . . . 5093 1 17 . 1 1 3 3 LYS CB C 13 32.8 0.20 . 1 . . . . . . . . 5093 1 18 . 1 1 3 3 LYS CG C 13 24.4 0.20 . 1 . . . . . . . . 5093 1 19 . 1 1 3 3 LYS CE C 13 41.9 0.20 . 1 . . . . . . . . 5093 1 20 . 1 1 3 3 LYS N N 15 120.2 0.25 . 1 . . . . . . . . 5093 1 21 . 1 1 4 4 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5093 1 22 . 1 1 4 4 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 5093 1 23 . 1 1 4 4 GLU HB2 H 1 2.18 0.02 . 1 . . . . . . . . 5093 1 24 . 1 1 4 4 GLU HB3 H 1 2.18 0.02 . 1 . . . . . . . . 5093 1 25 . 1 1 4 4 GLU HG2 H 1 1.87 0.02 . 1 . . . . . . . . 5093 1 26 . 1 1 4 4 GLU HG3 H 1 1.87 0.02 . 1 . . . . . . . . 5093 1 27 . 1 1 4 4 GLU C C 13 176.0 0.20 . 1 . . . . . . . . 5093 1 28 . 1 1 4 4 GLU CA C 13 55.7 0.20 . 1 . . . . . . . . 5093 1 29 . 1 1 4 4 GLU CB C 13 30.3 0.20 . 1 . . . . . . . . 5093 1 30 . 1 1 4 4 GLU CG C 13 35.5 0.20 . 1 . . . . . . . . 5093 1 31 . 1 1 4 4 GLU N N 15 122.2 0.25 . 1 . . . . . . . . 5093 1 32 . 1 1 5 5 PHE H H 1 8.48 0.02 . 1 . . . . . . . . 5093 1 33 . 1 1 5 5 PHE HA H 1 4.58 0.02 . 1 . . . . . . . . 5093 1 34 . 1 1 5 5 PHE HB2 H 1 3.12 0.02 . 2 . . . . . . . . 5093 1 35 . 1 1 5 5 PHE HB3 H 1 2.93 0.02 . 2 . . . . . . . . 5093 1 36 . 1 1 5 5 PHE C C 13 176.1 0.20 . 1 . . . . . . . . 5093 1 37 . 1 1 5 5 PHE CA C 13 57.5 0.20 . 1 . . . . . . . . 5093 1 38 . 1 1 5 5 PHE CB C 13 39.7 0.20 . 1 . . . . . . . . 5093 1 39 . 1 1 5 5 PHE N N 15 122.2 0.25 . 1 . . . . . . . . 5093 1 40 . 1 1 6 6 GLY H H 1 8.40 0.02 . 1 . . . . . . . . 5093 1 41 . 1 1 6 6 GLY HA2 H 1 3.86 0.02 . 2 . . . . . . . . 5093 1 42 . 1 1 6 6 GLY HA3 H 1 4.01 0.02 . 2 . . . . . . . . 5093 1 43 . 1 1 6 6 GLY C C 13 173.8 0.20 . 1 . . . . . . . . 5093 1 44 . 1 1 6 6 GLY CA C 13 44.8 0.20 . 1 . . . . . . . . 5093 1 45 . 1 1 6 6 GLY N N 15 110.2 0.25 . 1 . . . . . . . . 5093 1 46 . 1 1 7 7 ARG H H 1 8.495 0.02 . 1 . . . . . . . . 5093 1 47 . 1 1 7 7 ARG HA H 1 4.44 0.02 . 1 . . . . . . . . 5093 1 48 . 1 1 7 7 ARG HB2 H 1 2.51 0.02 . 1 . . . . . . . . 5093 1 49 . 1 1 7 7 ARG HB3 H 1 2.51 0.02 . 1 . . . . . . . . 5093 1 50 . 1 1 7 7 ARG CA C 13 56.8 0.20 . 1 . . . . . . . . 5093 1 51 . 1 1 7 7 ARG CB C 13 28.9 0.20 . 1 . . . . . . . . 5093 1 52 . 1 1 7 7 ARG CG C 13 31.8 0.20 . 1 . . . . . . . . 5093 1 53 . 1 1 7 7 ARG N N 15 120.8 0.25 . 1 . . . . . . . . 5093 1 54 . 1 1 8 8 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 5093 1 55 . 1 1 8 8 PRO HB2 H 1 2.23 0.02 . 1 . . . . . . . . 5093 1 56 . 1 1 8 8 PRO HB3 H 1 2.23 0.02 . 1 . . . . . . . . 5093 1 57 . 1 1 8 8 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 5093 1 58 . 1 1 8 8 PRO HG3 H 1 2.08 0.02 . 2 . . . . . . . . 5093 1 59 . 1 1 8 8 PRO HD2 H 1 3.66 0.02 . 2 . . . . . . . . 5093 1 60 . 1 1 8 8 PRO HD3 H 1 3.84 0.02 . 2 . . . . . . . . 5093 1 61 . 1 1 8 8 PRO C C 13 177.7 0.20 . 1 . . . . . . . . 5093 1 62 . 1 1 8 8 PRO CA C 13 64.8 0.20 . 1 . . . . . . . . 5093 1 63 . 1 1 8 8 PRO CB C 13 31.3 0.20 . 1 . . . . . . . . 5093 1 64 . 1 1 8 8 PRO CG C 13 28.2 0.20 . 1 . . . . . . . . 5093 1 65 . 1 1 8 8 PRO CD C 13 50.0 0.20 . 1 . . . . . . . . 5093 1 66 . 1 1 9 9 GLN H H 1 8.05 0.02 . 1 . . . . . . . . 5093 1 67 . 1 1 9 9 GLN HA H 1 4.18 0.02 . 1 . . . . . . . . 5093 1 68 . 1 1 9 9 GLN HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5093 1 69 . 1 1 9 9 GLN HB3 H 1 2.04 0.02 . 1 . . . . . . . . 5093 1 70 . 1 1 9 9 GLN HG2 H 1 2.40 0.02 . 2 . . . . . . . . 5093 1 71 . 1 1 9 9 GLN HG3 H 1 2.48 0.02 . 2 . . . . . . . . 5093 1 72 . 1 1 9 9 GLN CA C 13 57.6 0.20 . 1 . . . . . . . . 5093 1 73 . 1 1 9 9 GLN CB C 13 28.4 0.20 . 1 . . . . . . . . 5093 1 74 . 1 1 9 9 GLN CG C 13 34.2 0.20 . 1 . . . . . . . . 5093 1 75 . 1 1 9 9 GLN N N 15 117.5 0.25 . 1 . . . . . . . . 5093 1 76 . 1 1 9 9 GLN NE2 N 15 111.4 0.25 . 1 . . . . . . . . 5093 1 77 . 1 1 9 9 GLN HE21 H 1 6.88 0.02 . 2 . . . . . . . . 5093 1 78 . 1 1 9 9 GLN HE22 H 1 7.60 0.02 . 2 . . . . . . . . 5093 1 79 . 1 1 10 10 ARG H H 1 8.24 0.02 . 1 . . . . . . . . 5093 1 80 . 1 1 10 10 ARG HA H 1 4.17 0.02 . 1 . . . . . . . . 5093 1 81 . 1 1 10 10 ARG HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5093 1 82 . 1 1 10 10 ARG HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5093 1 83 . 1 1 10 10 ARG HG2 H 1 1.67 0.02 . 1 . . . . . . . . 5093 1 84 . 1 1 10 10 ARG HG3 H 1 1.67 0.02 . 1 . . . . . . . . 5093 1 85 . 1 1 10 10 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 5093 1 86 . 1 1 10 10 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 5093 1 87 . 1 1 10 10 ARG C C 13 178.8 0.20 . 1 . . . . . . . . 5093 1 88 . 1 1 10 10 ARG CA C 13 58.6 0.20 . 1 . . . . . . . . 5093 1 89 . 1 1 10 10 ARG CB C 13 29.6 0.20 . 1 . . . . . . . . 5093 1 90 . 1 1 10 10 ARG CG C 13 29.6 0.20 . 1 . . . . . . . . 5093 1 91 . 1 1 10 10 ARG CD C 13 44.9 0.20 . 1 . . . . . . . . 5093 1 92 . 1 1 10 10 ARG N N 15 121.5 0.25 . 1 . . . . . . . . 5093 1 93 . 1 1 11 11 VAL H H 1 8.30 0.02 . 1 . . . . . . . . 5093 1 94 . 1 1 11 11 VAL CA C 13 65.6 0.20 . 1 . . . . . . . . 5093 1 95 . 1 1 11 11 VAL CB C 13 31.4 0.20 . 1 . . . . . . . . 5093 1 96 . 1 1 11 11 VAL CG1 C 13 20.9 0.20 . 1 . . . . . . . . 5093 1 97 . 1 1 11 11 VAL CG2 C 13 20.9 0.20 . 1 . . . . . . . . 5093 1 98 . 1 1 11 11 VAL HA H 1 3.76 0.02 . 1 . . . . . . . . 5093 1 99 . 1 1 11 11 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5093 1 100 . 1 1 11 11 VAL HG11 H 1 0.92 0.02 . 1 . . . . . . . . 5093 1 101 . 1 1 11 11 VAL HG12 H 1 0.92 0.02 . 1 . . . . . . . . 5093 1 102 . 1 1 11 11 VAL HG13 H 1 0.92 0.02 . 1 . . . . . . . . 5093 1 103 . 1 1 11 11 VAL HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5093 1 104 . 1 1 11 11 VAL HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5093 1 105 . 1 1 11 11 VAL HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5093 1 106 . 1 1 11 11 VAL N N 15 119.6 0.25 . 1 . . . . . . . . 5093 1 107 . 1 1 12 12 ALA H H 1 8.02 0.02 . 1 . . . . . . . . 5093 1 108 . 1 1 12 12 ALA HA H 1 3.84 0.02 . 1 . . . . . . . . 5093 1 109 . 1 1 12 12 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 5093 1 110 . 1 1 12 12 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 5093 1 111 . 1 1 12 12 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 5093 1 112 . 1 1 12 12 ALA C C 13 179.6 0.20 . 1 . . . . . . . . 5093 1 113 . 1 1 12 12 ALA CA C 13 55.4 0.20 . 1 . . . . . . . . 5093 1 114 . 1 1 12 12 ALA CB C 13 18.2 0.20 . 1 . . . . . . . . 5093 1 115 . 1 1 12 12 ALA N N 15 121.9 0.25 . 1 . . . . . . . . 5093 1 116 . 1 1 13 13 GLN H H 1 7.81 0.02 . 1 . . . . . . . . 5093 1 117 . 1 1 13 13 GLN HA H 1 4.09 0.02 . 1 . . . . . . . . 5093 1 118 . 1 1 13 13 GLN HB2 H 1 2.16 0.02 . 2 . . . . . . . . 5093 1 119 . 1 1 13 13 GLN HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5093 1 120 . 1 1 13 13 GLN HG2 H 1 2.42 0.02 . 2 . . . . . . . . 5093 1 121 . 1 1 13 13 GLN HG3 H 1 2.55 0.02 . 2 . . . . . . . . 5093 1 122 . 1 1 13 13 GLN HE21 H 1 6.76 0.02 . 2 . . . . . . . . 5093 1 123 . 1 1 13 13 GLN HE22 H 1 7.54 0.02 . 2 . . . . . . . . 5093 1 124 . 1 1 13 13 GLN C C 13 179.3 0.20 . 1 . . . . . . . . 5093 1 125 . 1 1 13 13 GLN CA C 13 59.0 0.20 . 1 . . . . . . . . 5093 1 126 . 1 1 13 13 GLN CB C 13 28.5 0.20 . 1 . . . . . . . . 5093 1 127 . 1 1 13 13 GLN CG C 13 34.3 0.20 . 1 . . . . . . . . 5093 1 128 . 1 1 13 13 GLN N N 15 116.5 0.25 . 1 . . . . . . . . 5093 1 129 . 1 1 13 13 GLN NE2 N 15 111.1 0.25 . 1 . . . . . . . . 5093 1 130 . 1 1 14 14 GLU H H 1 8.00 0.02 . 1 . . . . . . . . 5093 1 131 . 1 1 14 14 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5093 1 132 . 1 1 14 14 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5093 1 133 . 1 1 14 14 GLU HG3 H 1 2.47 0.02 . 2 . . . . . . . . 5093 1 134 . 1 1 14 14 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 5093 1 135 . 1 1 14 14 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 5093 1 136 . 1 1 14 14 GLU C C 13 179.1 0.20 . 1 . . . . . . . . 5093 1 137 . 1 1 14 14 GLU CA C 13 59.1 0.20 . 1 . . . . . . . . 5093 1 138 . 1 1 14 14 GLU CB C 13 29.1 0.20 . 1 . . . . . . . . 5093 1 139 . 1 1 14 14 GLU CG C 13 35.6 0.20 . 1 . . . . . . . . 5093 1 140 . 1 1 14 14 GLU N N 15 120.4 0.25 . 1 . . . . . . . . 5093 1 141 . 1 1 15 15 MET H H 1 8.80 0.02 . 1 . . . . . . . . 5093 1 142 . 1 1 15 15 MET HA H 1 4.01 0.02 . 1 . . . . . . . . 5093 1 143 . 1 1 15 15 MET HB2 H 1 2.36 0.02 . 2 . . . . . . . . 5093 1 144 . 1 1 15 15 MET HB3 H 1 2.22 0.02 . 2 . . . . . . . . 5093 1 145 . 1 1 15 15 MET HG2 H 1 2.67 0.02 . 1 . . . . . . . . 5093 1 146 . 1 1 15 15 MET HG3 H 1 2.67 0.02 . 1 . . . . . . . . 5093 1 147 . 1 1 15 15 MET C C 13 177.8 0.20 . 1 . . . . . . . . 5093 1 148 . 1 1 15 15 MET CA C 13 59.4 0.20 . 1 . . . . . . . . 5093 1 149 . 1 1 15 15 MET CB C 13 32.5 0.20 . 1 . . . . . . . . 5093 1 150 . 1 1 15 15 MET N N 15 118.5 0.25 . 1 . . . . . . . . 5093 1 151 . 1 1 16 16 GLN H H 1 8.39 0.02 . 1 . . . . . . . . 5093 1 152 . 1 1 16 16 GLN HA H 1 3.57 0.02 . 1 . . . . . . . . 5093 1 153 . 1 1 16 16 GLN HB2 H 1 2.35 0.02 . 2 . . . . . . . . 5093 1 154 . 1 1 16 16 GLN HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5093 1 155 . 1 1 16 16 GLN HG2 H 1 2.09 0.02 . 2 . . . . . . . . 5093 1 156 . 1 1 16 16 GLN HG3 H 1 2.27 0.02 . 2 . . . . . . . . 5093 1 157 . 1 1 16 16 GLN C C 13 176.9 0.20 . 1 . . . . . . . . 5093 1 158 . 1 1 16 16 GLN CA C 13 59.9 0.20 . 1 . . . . . . . . 5093 1 159 . 1 1 16 16 GLN CB C 13 27.6 0.20 . 1 . . . . . . . . 5093 1 160 . 1 1 16 16 GLN CG C 13 32.4 0.20 . 1 . . . . . . . . 5093 1 161 . 1 1 16 16 GLN N N 15 119.1 0.25 . 1 . . . . . . . . 5093 1 162 . 1 1 16 16 GLN NE2 N 15 109.1 0.25 . 1 . . . . . . . . 5093 1 163 . 1 1 16 16 GLN HE21 H 1 6.63 0.02 . 2 . . . . . . . . 5093 1 164 . 1 1 16 16 GLN HE22 H 1 7.12 0.02 . 2 . . . . . . . . 5093 1 165 . 1 1 17 17 LYS H H 1 7.29 0.02 . 1 . . . . . . . . 5093 1 166 . 1 1 17 17 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 5093 1 167 . 1 1 17 17 LYS HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5093 1 168 . 1 1 17 17 LYS HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5093 1 169 . 1 1 17 17 LYS HG2 H 1 1.36 0.02 . 2 . . . . . . . . 5093 1 170 . 1 1 17 17 LYS HG3 H 1 1.58 0.02 . 2 . . . . . . . . 5093 1 171 . 1 1 17 17 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 5093 1 172 . 1 1 17 17 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 5093 1 173 . 1 1 17 17 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 5093 1 174 . 1 1 17 17 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 5093 1 175 . 1 1 17 17 LYS C C 13 179.5 0.20 . 1 . . . . . . . . 5093 1 176 . 1 1 17 17 LYS CA C 13 58.99 0.20 . 1 . . . . . . . . 5093 1 177 . 1 1 17 17 LYS CB C 13 32.3 0.20 . 1 . . . . . . . . 5093 1 178 . 1 1 17 17 LYS CG C 13 24.6 0.20 . 1 . . . . . . . . 5093 1 179 . 1 1 17 17 LYS CE C 13 41.8 0.20 . 1 . . . . . . . . 5093 1 180 . 1 1 17 17 LYS N N 15 116.7 0.25 . 1 . . . . . . . . 5093 1 181 . 1 1 18 18 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 5093 1 182 . 1 1 18 18 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 5093 1 183 . 1 1 18 18 GLU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 5093 1 184 . 1 1 18 18 GLU HB3 H 1 1.93 0.02 . 1 . . . . . . . . 5093 1 185 . 1 1 18 18 GLU HG2 H 1 2.43 0.02 . 1 . . . . . . . . 5093 1 186 . 1 1 18 18 GLU HG3 H 1 2.43 0.02 . 1 . . . . . . . . 5093 1 187 . 1 1 18 18 GLU C C 13 179.6 0.20 . 1 . . . . . . . . 5093 1 188 . 1 1 18 18 GLU CA C 13 57.9 0.20 . 1 . . . . . . . . 5093 1 189 . 1 1 18 18 GLU CB C 13 28.6 0.20 . 1 . . . . . . . . 5093 1 190 . 1 1 18 18 GLU CG C 13 33.7 0.20 . 1 . . . . . . . . 5093 1 191 . 1 1 18 18 GLU N N 15 117.0 0.25 . 1 . . . . . . . . 5093 1 192 . 1 1 19 19 ILE H H 1 9.08 0.02 . 1 . . . . . . . . 5093 1 193 . 1 1 19 19 ILE HA H 1 3.58 0.02 . 1 . . . . . . . . 5093 1 194 . 1 1 19 19 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . 5093 1 195 . 1 1 19 19 ILE HG12 H 1 1.81 0.02 . 1 . . . . . . . . 5093 1 196 . 1 1 19 19 ILE HG13 H 1 1.81 0.02 . 1 . . . . . . . . 5093 1 197 . 1 1 19 19 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5093 1 198 . 1 1 19 19 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5093 1 199 . 1 1 19 19 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5093 1 200 . 1 1 19 19 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 5093 1 201 . 1 1 19 19 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 5093 1 202 . 1 1 19 19 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 5093 1 203 . 1 1 19 19 ILE C C 13 178.0 0.20 . 1 . . . . . . . . 5093 1 204 . 1 1 19 19 ILE CA C 13 66.0 0.20 . 1 . . . . . . . . 5093 1 205 . 1 1 19 19 ILE CB C 13 37.4 0.20 . 1 . . . . . . . . 5093 1 206 . 1 1 19 19 ILE CG1 C 13 24.7 0.20 . 1 . . . . . . . . 5093 1 207 . 1 1 19 19 ILE CG2 C 13 17.5 0.20 . 1 . . . . . . . . 5093 1 208 . 1 1 19 19 ILE CD1 C 13 14.5 0.20 . 1 . . . . . . . . 5093 1 209 . 1 1 19 19 ILE N N 15 118.8 0.25 . 1 . . . . . . . . 5093 1 210 . 1 1 20 20 ALA H H 1 7.90 0.02 . 1 . . . . . . . . 5093 1 211 . 1 1 20 20 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 5093 1 212 . 1 1 20 20 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 5093 1 213 . 1 1 20 20 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5093 1 214 . 1 1 20 20 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5093 1 215 . 1 1 20 20 ALA C C 13 180.1 0.20 . 1 . . . . . . . . 5093 1 216 . 1 1 20 20 ALA CA C 13 55.8 0.20 . 1 . . . . . . . . 5093 1 217 . 1 1 20 20 ALA CB C 13 18.0 0.20 . 1 . . . . . . . . 5093 1 218 . 1 1 20 20 ALA N N 15 120.7 0.25 . 1 . . . . . . . . 5093 1 219 . 1 1 21 21 LEU H H 1 7.46 0.02 . 1 . . . . . . . . 5093 1 220 . 1 1 21 21 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 5093 1 221 . 1 1 21 21 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5093 1 222 . 1 1 21 21 LEU HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5093 1 223 . 1 1 21 21 LEU HG H 1 1.73 0.02 . 1 . . . . . . . . 5093 1 224 . 1 1 21 21 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 225 . 1 1 21 21 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 226 . 1 1 21 21 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 227 . 1 1 21 21 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 228 . 1 1 21 21 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 229 . 1 1 21 21 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 230 . 1 1 21 21 LEU C C 13 179.3 0.20 . 1 . . . . . . . . 5093 1 231 . 1 1 21 21 LEU CA C 13 58.1 0.20 . 1 . . . . . . . . 5093 1 232 . 1 1 21 21 LEU CB C 13 41.9 0.20 . 1 . . . . . . . . 5093 1 233 . 1 1 21 21 LEU CG C 13 26.9 0.20 . 1 . . . . . . . . 5093 1 234 . 1 1 21 21 LEU CD1 C 13 24.1 0.20 . 1 . . . . . . . . 5093 1 235 . 1 1 21 21 LEU N N 15 117.6 0.25 . 1 . . . . . . . . 5093 1 236 . 1 1 22 22 ILE H H 1 7.96 0.02 . 1 . . . . . . . . 5093 1 237 . 1 1 22 22 ILE HA H 1 3.57 0.02 . 1 . . . . . . . . 5093 1 238 . 1 1 22 22 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 5093 1 239 . 1 1 22 22 ILE HG12 H 1 1.40 0.02 . 1 . . . . . . . . 5093 1 240 . 1 1 22 22 ILE HG13 H 1 1.40 0.02 . 1 . . . . . . . . 5093 1 241 . 1 1 22 22 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 5093 1 242 . 1 1 22 22 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 5093 1 243 . 1 1 22 22 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 5093 1 244 . 1 1 22 22 ILE HD11 H 1 0.73 0.02 . 1 . . . . . . . . 5093 1 245 . 1 1 22 22 ILE HD12 H 1 0.73 0.02 . 1 . . . . . . . . 5093 1 246 . 1 1 22 22 ILE HD13 H 1 0.73 0.02 . 1 . . . . . . . . 5093 1 247 . 1 1 22 22 ILE C C 13 178.8 0.20 . 1 . . . . . . . . 5093 1 248 . 1 1 22 22 ILE CA C 13 65.2 0.20 . 1 . . . . . . . . 5093 1 249 . 1 1 22 22 ILE CB C 13 38.4 0.20 . 1 . . . . . . . . 5093 1 250 . 1 1 22 22 ILE CG2 C 13 18.3 0.20 . 1 . . . . . . . . 5093 1 251 . 1 1 22 22 ILE CD1 C 13 14.8 0.20 . 1 . . . . . . . . 5093 1 252 . 1 1 22 22 ILE N N 15 120.4 0.25 . 1 . . . . . . . . 5093 1 253 . 1 1 23 23 LEU H H 1 8.52 0.02 . 1 . . . . . . . . 5093 1 254 . 1 1 23 23 LEU HA H 1 3.899 0.02 . 1 . . . . . . . . 5093 1 255 . 1 1 23 23 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5093 1 256 . 1 1 23 23 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 5093 1 257 . 1 1 23 23 LEU HG H 1 1.90 0.02 . 1 . . . . . . . . 5093 1 258 . 1 1 23 23 LEU HD11 H 1 0.70 0.02 . 1 . . . . . . . . 5093 1 259 . 1 1 23 23 LEU HD12 H 1 0.70 0.02 . 1 . . . . . . . . 5093 1 260 . 1 1 23 23 LEU HD13 H 1 0.70 0.02 . 1 . . . . . . . . 5093 1 261 . 1 1 23 23 LEU HD21 H 1 0.70 0.02 . 1 . . . . . . . . 5093 1 262 . 1 1 23 23 LEU HD22 H 1 0.70 0.02 . 1 . . . . . . . . 5093 1 263 . 1 1 23 23 LEU HD23 H 1 0.70 0.02 . 1 . . . . . . . . 5093 1 264 . 1 1 23 23 LEU C C 13 178.4 0.20 . 1 . . . . . . . . 5093 1 265 . 1 1 23 23 LEU CA C 13 57.6 0.20 . 1 . . . . . . . . 5093 1 266 . 1 1 23 23 LEU CB C 13 40.8 0.20 . 1 . . . . . . . . 5093 1 267 . 1 1 23 23 LEU CG C 13 25.2 0.20 . 1 . . . . . . . . 5093 1 268 . 1 1 23 23 LEU CD1 C 13 23.0 0.20 . 1 . . . . . . . . 5093 1 269 . 1 1 23 23 LEU CD2 C 13 23.0 0.20 . 1 . . . . . . . . 5093 1 270 . 1 1 23 23 LEU N N 15 118.0 0.25 . 1 . . . . . . . . 5093 1 271 . 1 1 24 24 GLN H H 1 7.72 0.02 . 1 . . . . . . . . 5093 1 272 . 1 1 24 24 GLN HA H 1 4.17 0.02 . 1 . . . . . . . . 5093 1 273 . 1 1 24 24 GLN HG2 H 1 2.59 0.02 . 1 . . . . . . . . 5093 1 274 . 1 1 24 24 GLN HG3 H 1 2.59 0.02 . 1 . . . . . . . . 5093 1 275 . 1 1 24 24 GLN HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5093 1 276 . 1 1 24 24 GLN HB3 H 1 2.19 0.02 . 1 . . . . . . . . 5093 1 277 . 1 1 24 24 GLN HE21 H 1 7.46 0.02 . 2 . . . . . . . . 5093 1 278 . 1 1 24 24 GLN HE22 H 1 6.77 0.02 . 2 . . . . . . . . 5093 1 279 . 1 1 24 24 GLN C C 13 178.2 0.20 . 1 . . . . . . . . 5093 1 280 . 1 1 24 24 GLN CA C 13 57.9 0.20 . 1 . . . . . . . . 5093 1 281 . 1 1 24 24 GLN CB C 13 29.2 0.20 . 1 . . . . . . . . 5093 1 282 . 1 1 24 24 GLN CG C 13 33.8 0.20 . 1 . . . . . . . . 5093 1 283 . 1 1 24 24 GLN N N 15 114.5 0.25 . 1 . . . . . . . . 5093 1 284 . 1 1 24 24 GLN NE2 N 15 110.2 0.25 . 1 . . . . . . . . 5093 1 285 . 1 1 25 25 ARG H H 1 8.10 0.02 . 1 . . . . . . . . 5093 1 286 . 1 1 25 25 ARG HA H 1 4.46 0.02 . 1 . . . . . . . . 5093 1 287 . 1 1 25 25 ARG HB2 H 1 1.86 0.02 . 1 . . . . . . . . 5093 1 288 . 1 1 25 25 ARG HB3 H 1 1.86 0.02 . 1 . . . . . . . . 5093 1 289 . 1 1 25 25 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 5093 1 290 . 1 1 25 25 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 5093 1 291 . 1 1 25 25 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 5093 1 292 . 1 1 25 25 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 5093 1 293 . 1 1 25 25 ARG C C 13 177.9 0.20 . 1 . . . . . . . . 5093 1 294 . 1 1 25 25 ARG CA C 13 57.4 0.20 . 1 . . . . . . . . 5093 1 295 . 1 1 25 25 ARG CB C 13 32.8 0.20 . 1 . . . . . . . . 5093 1 296 . 1 1 25 25 ARG CD C 13 43.2 0.20 . 1 . . . . . . . . 5093 1 297 . 1 1 25 25 ARG CG C 13 27.3 0.20 . 1 . . . . . . . . 5093 1 298 . 1 1 25 25 ARG N N 15 114.4 0.25 . 1 . . . . . . . . 5093 1 299 . 1 1 26 26 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5093 1 300 . 1 1 26 26 GLU HA H 1 4.68 0.02 . 1 . . . . . . . . 5093 1 301 . 1 1 26 26 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 5093 1 302 . 1 1 26 26 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 5093 1 303 . 1 1 26 26 GLU HB2 H 1 1.92 0.02 . 1 . . . . . . . . 5093 1 304 . 1 1 26 26 GLU HB3 H 1 1.92 0.02 . 1 . . . . . . . . 5093 1 305 . 1 1 26 26 GLU C C 13 176.4 0.20 . 1 . . . . . . . . 5093 1 306 . 1 1 26 26 GLU CA C 13 56.1 0.20 . 1 . . . . . . . . 5093 1 307 . 1 1 26 26 GLU CB C 13 30.4 0.20 . 1 . . . . . . . . 5093 1 308 . 1 1 26 26 GLU CG C 13 34.4 0.20 . 1 . . . . . . . . 5093 1 309 . 1 1 26 26 GLU N N 15 114.0 0.25 . 1 . . . . . . . . 5093 1 310 . 1 1 27 27 ILE H H 1 7.23 0.02 . 1 . . . . . . . . 5093 1 311 . 1 1 27 27 ILE HA H 1 4.26 0.02 . 1 . . . . . . . . 5093 1 312 . 1 1 27 27 ILE HB H 1 2.13 0.02 . 1 . . . . . . . . 5093 1 313 . 1 1 27 27 ILE HG12 H 1 1.24 0.02 . 2 . . . . . . . . 5093 1 314 . 1 1 27 27 ILE HG13 H 1 1.49 0.02 . 2 . . . . . . . . 5093 1 315 . 1 1 27 27 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 5093 1 316 . 1 1 27 27 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 5093 1 317 . 1 1 27 27 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 5093 1 318 . 1 1 27 27 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5093 1 319 . 1 1 27 27 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5093 1 320 . 1 1 27 27 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5093 1 321 . 1 1 27 27 ILE C C 13 175.3 0.20 . 1 . . . . . . . . 5093 1 322 . 1 1 27 27 ILE CA C 13 59.3 0.20 . 1 . . . . . . . . 5093 1 323 . 1 1 27 27 ILE CB C 13 36.7 0.20 . 1 . . . . . . . . 5093 1 324 . 1 1 27 27 ILE CG1 C 13 26.9 0.20 . 2 . . . . . . . . 5093 1 325 . 1 1 27 27 ILE CG2 C 13 17.0 0.20 . 2 . . . . . . . . 5093 1 326 . 1 1 27 27 ILE CD1 C 13 10.9 0.20 . 2 . . . . . . . . 5093 1 327 . 1 1 27 27 ILE N N 15 117.8 0.25 . 1 . . . . . . . . 5093 1 328 . 1 1 28 28 LYS H H 1 8.48 0.02 . 1 . . . . . . . . 5093 1 329 . 1 1 28 28 LYS HA H 1 4.36 0.02 . 1 . . . . . . . . 5093 1 330 . 1 1 28 28 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 5093 1 331 . 1 1 28 28 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 5093 1 332 . 1 1 28 28 LYS HG2 H 1 1.31 0.02 . 2 . . . . . . . . 5093 1 333 . 1 1 28 28 LYS HG3 H 1 1.25 0.02 . 2 . . . . . . . . 5093 1 334 . 1 1 28 28 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5093 1 335 . 1 1 28 28 LYS HB3 H 1 1.65 0.02 . 2 . . . . . . . . 5093 1 336 . 1 1 28 28 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 5093 1 337 . 1 1 28 28 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 5093 1 338 . 1 1 28 28 LYS C C 13 175.5 0.20 . 1 . . . . . . . . 5093 1 339 . 1 1 28 28 LYS CA C 13 54.9 0.20 . 1 . . . . . . . . 5093 1 340 . 1 1 28 28 LYS CB C 13 32.2 0.20 . 1 . . . . . . . . 5093 1 341 . 1 1 28 28 LYS CG C 13 24.3 0.20 . 1 . . . . . . . . 5093 1 342 . 1 1 28 28 LYS CD C 13 28.2 0.20 . 1 . . . . . . . . 5093 1 343 . 1 1 28 28 LYS CE C 13 42.0 0.20 . 1 . . . . . . . . 5093 1 344 . 1 1 28 28 LYS N N 15 126.0 0.25 . 1 . . . . . . . . 5093 1 345 . 1 1 29 29 ASP H H 1 7.81 0.02 . 1 . . . . . . . . 5093 1 346 . 1 1 29 29 ASP HA H 1 4.86 0.02 . 1 . . . . . . . . 5093 1 347 . 1 1 29 29 ASP HB2 H 1 2.46 0.02 . 1 . . . . . . . . 5093 1 348 . 1 1 29 29 ASP HB3 H 1 2.46 0.02 . 1 . . . . . . . . 5093 1 349 . 1 1 29 29 ASP CA C 13 51.5 0.20 . 1 . . . . . . . . 5093 1 350 . 1 1 29 29 ASP CB C 13 43.5 0.20 . 1 . . . . . . . . 5093 1 351 . 1 1 29 29 ASP N N 15 122.1 0.25 . 1 . . . . . . . . 5093 1 352 . 1 1 30 30 PRO HA H 1 4.35 0.02 . 1 . . . . . . . . 5093 1 353 . 1 1 30 30 PRO HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5093 1 354 . 1 1 30 30 PRO HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5093 1 355 . 1 1 30 30 PRO HD2 H 1 3.81 0.02 . 1 . . . . . . . . 5093 1 356 . 1 1 30 30 PRO HD3 H 1 3.81 0.02 . 1 . . . . . . . . 5093 1 357 . 1 1 30 30 PRO HG2 H 1 1.94 0.02 . 1 . . . . . . . . 5093 1 358 . 1 1 30 30 PRO HG3 H 1 1.94 0.02 . 1 . . . . . . . . 5093 1 359 . 1 1 30 30 PRO C C 13 178.2 0.20 . 1 . . . . . . . . 5093 1 360 . 1 1 30 30 PRO CA C 13 64.0 0.20 . 1 . . . . . . . . 5093 1 361 . 1 1 30 30 PRO CB C 13 32.0 0.20 . 1 . . . . . . . . 5093 1 362 . 1 1 30 30 PRO CG C 13 26.8 0.20 . 1 . . . . . . . . 5093 1 363 . 1 1 30 30 PRO CD C 13 51.2 0.20 . 1 . . . . . . . . 5093 1 364 . 1 1 31 31 ARG H H 1 8.83 0.02 . 1 . . . . . . . . 5093 1 365 . 1 1 31 31 ARG HA H 1 3.988 0.02 . 1 . . . . . . . . 5093 1 366 . 1 1 31 31 ARG HB2 H 1 1.58 0.02 . 2 . . . . . . . . 5093 1 367 . 1 1 31 31 ARG HB3 H 1 1.64 0.02 . 2 . . . . . . . . 5093 1 368 . 1 1 31 31 ARG HD2 H 1 3.04 0.02 . 1 . . . . . . . . 5093 1 369 . 1 1 31 31 ARG HD3 H 1 3.04 0.02 . 1 . . . . . . . . 5093 1 370 . 1 1 31 31 ARG C C 13 177.0 0.20 . 1 . . . . . . . . 5093 1 371 . 1 1 31 31 ARG CA C 13 57.3 0.20 . 1 . . . . . . . . 5093 1 372 . 1 1 31 31 ARG CB C 13 30.0 0.20 . 1 . . . . . . . . 5093 1 373 . 1 1 31 31 ARG CG C 13 32.5 0.20 . 1 . . . . . . . . 5093 1 374 . 1 1 31 31 ARG CD C 13 42.6 0.20 . 1 . . . . . . . . 5093 1 375 . 1 1 31 31 ARG N N 15 117.1 0.25 . 1 . . . . . . . . 5093 1 376 . 1 1 32 32 LEU H H 1 7.69 0.02 . 1 . . . . . . . . 5093 1 377 . 1 1 32 32 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5093 1 378 . 1 1 32 32 LEU HB2 H 1 1.60 0.02 . 1 . . . . . . . . 5093 1 379 . 1 1 32 32 LEU HB3 H 1 1.60 0.02 . 1 . . . . . . . . 5093 1 380 . 1 1 32 32 LEU HG H 1 1.30 0.02 . 1 . . . . . . . . 5093 1 381 . 1 1 32 32 LEU HD11 H 1 0.69 0.02 . 1 . . . . . . . . 5093 1 382 . 1 1 32 32 LEU HD12 H 1 0.69 0.02 . 1 . . . . . . . . 5093 1 383 . 1 1 32 32 LEU HD13 H 1 0.69 0.02 . 1 . . . . . . . . 5093 1 384 . 1 1 32 32 LEU HD21 H 1 0.69 0.02 . 1 . . . . . . . . 5093 1 385 . 1 1 32 32 LEU HD22 H 1 0.69 0.02 . 1 . . . . . . . . 5093 1 386 . 1 1 32 32 LEU HD23 H 1 0.69 0.02 . 1 . . . . . . . . 5093 1 387 . 1 1 32 32 LEU C C 13 177.9 0.20 . 1 . . . . . . . . 5093 1 388 . 1 1 32 32 LEU CA C 13 54.4 0.20 . 1 . . . . . . . . 5093 1 389 . 1 1 32 32 LEU CB C 13 42.1 0.20 . 1 . . . . . . . . 5093 1 390 . 1 1 32 32 LEU CG C 13 23.3 0.20 . 1 . . . . . . . . 5093 1 391 . 1 1 32 32 LEU CD1 C 13 25.0 0.20 . 1 . . . . . . . . 5093 1 392 . 1 1 32 32 LEU CD2 C 13 25.0 0.20 . 1 . . . . . . . . 5093 1 393 . 1 1 32 32 LEU N N 15 117.6 0.25 . 1 . . . . . . . . 5093 1 394 . 1 1 33 33 GLY H H 1 7.91 0.02 . 1 . . . . . . . . 5093 1 395 . 1 1 33 33 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . 5093 1 396 . 1 1 33 33 GLY HA3 H 1 3.92 0.02 . 1 . . . . . . . . 5093 1 397 . 1 1 33 33 GLY C C 13 174.9 0.20 . 1 . . . . . . . . 5093 1 398 . 1 1 33 33 GLY CA C 13 45.8 0.20 . 1 . . . . . . . . 5093 1 399 . 1 1 33 33 GLY N N 15 106.7 0.25 . 1 . . . . . . . . 5093 1 400 . 1 1 34 34 MET H H 1 8.22 0.02 . 1 . . . . . . . . 5093 1 401 . 1 1 34 34 MET HA H 1 4.46 0.02 . 1 . . . . . . . . 5093 1 402 . 1 1 34 34 MET HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5093 1 403 . 1 1 34 34 MET HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5093 1 404 . 1 1 34 34 MET CA C 13 55.7 0.20 . 1 . . . . . . . . 5093 1 405 . 1 1 34 34 MET CB C 13 32.0 0.20 . 1 . . . . . . . . 5093 1 406 . 1 1 34 34 MET N N 15 117.3 0.25 . 1 . . . . . . . . 5093 1 407 . 1 1 35 35 MET HA H 1 4.51 0.02 . 1 . . . . . . . . 5093 1 408 . 1 1 35 35 MET HG2 H 1 2.52 0.02 . 1 . . . . . . . . 5093 1 409 . 1 1 35 35 MET HG3 H 1 2.52 0.02 . 1 . . . . . . . . 5093 1 410 . 1 1 35 35 MET HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5093 1 411 . 1 1 35 35 MET HB3 H 1 2.14 0.02 . 2 . . . . . . . . 5093 1 412 . 1 1 35 35 MET CA C 13 55.9 0.20 . 1 . . . . . . . . 5093 1 413 . 1 1 35 35 MET CB C 13 32.99 0.20 . 1 . . . . . . . . 5093 1 414 . 1 1 36 36 THR HB H 1 3.92 0.02 . 1 . . . . . . . . 5093 1 415 . 1 1 36 36 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5093 1 416 . 1 1 36 36 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5093 1 417 . 1 1 36 36 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5093 1 418 . 1 1 36 36 THR CB C 13 69.7 0.20 . 1 . . . . . . . . 5093 1 419 . 1 1 37 37 THR H H 1 8.62 0.02 . 1 . . . . . . . . 5093 1 420 . 1 1 37 37 THR HA H 1 4.56 0.02 . 1 . . . . . . . . 5093 1 421 . 1 1 37 37 THR HB H 1 3.97 0.02 . 1 . . . . . . . . 5093 1 422 . 1 1 37 37 THR HG21 H 1 0.98 0.02 . 1 . . . . . . . . 5093 1 423 . 1 1 37 37 THR HG22 H 1 0.98 0.02 . 1 . . . . . . . . 5093 1 424 . 1 1 37 37 THR HG23 H 1 0.98 0.02 . 1 . . . . . . . . 5093 1 425 . 1 1 37 37 THR C C 13 173.0 0.20 . 1 . . . . . . . . 5093 1 426 . 1 1 37 37 THR CA C 13 60.8 0.20 . 1 . . . . . . . . 5093 1 427 . 1 1 37 37 THR CB C 13 70.5 0.20 . 1 . . . . . . . . 5093 1 428 . 1 1 37 37 THR CG2 C 13 20.7 0.20 . 1 . . . . . . . . 5093 1 429 . 1 1 37 37 THR N N 15 111.7 0.25 . 1 . . . . . . . . 5093 1 430 . 1 1 38 38 VAL H H 1 8.75 0.02 . 1 . . . . . . . . 5093 1 431 . 1 1 38 38 VAL HA H 1 4.57 0.02 . 1 . . . . . . . . 5093 1 432 . 1 1 38 38 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 5093 1 433 . 1 1 38 38 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . 5093 1 434 . 1 1 38 38 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . 5093 1 435 . 1 1 38 38 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . 5093 1 436 . 1 1 38 38 VAL HG21 H 1 0.90 0.02 . 1 . . . . . . . . 5093 1 437 . 1 1 38 38 VAL HG22 H 1 0.90 0.02 . 1 . . . . . . . . 5093 1 438 . 1 1 38 38 VAL HG23 H 1 0.90 0.02 . 1 . . . . . . . . 5093 1 439 . 1 1 38 38 VAL C C 13 175.7 0.20 . 1 . . . . . . . . 5093 1 440 . 1 1 38 38 VAL CA C 13 61.1 0.20 . 1 . . . . . . . . 5093 1 441 . 1 1 38 38 VAL CB C 13 31.7 0.20 . 1 . . . . . . . . 5093 1 442 . 1 1 38 38 VAL CG1 C 13 21.8 0.20 . 1 . . . . . . . . 5093 1 443 . 1 1 38 38 VAL CG2 C 13 21.8 0.20 . 1 . . . . . . . . 5093 1 444 . 1 1 38 38 VAL N N 15 123.6 0.25 . 1 . . . . . . . . 5093 1 445 . 1 1 39 39 SER H H 1 9.25 0.02 . 1 . . . . . . . . 5093 1 446 . 1 1 39 39 SER HA H 1 4.33 0.02 . 1 . . . . . . . . 5093 1 447 . 1 1 39 39 SER HB2 H 1 3.75 0.02 . 2 . . . . . . . . 5093 1 448 . 1 1 39 39 SER HB3 H 1 3.53 0.02 . 2 . . . . . . . . 5093 1 449 . 1 1 39 39 SER C C 13 175.8 0.20 . 1 . . . . . . . . 5093 1 450 . 1 1 39 39 SER CA C 13 58.8 0.20 . 1 . . . . . . . . 5093 1 451 . 1 1 39 39 SER CB C 13 63.5 0.20 . 1 . . . . . . . . 5093 1 452 . 1 1 39 39 SER N N 15 125.1 0.25 . 1 . . . . . . . . 5093 1 453 . 1 1 40 40 GLY H H 1 7.59 0.02 . 1 . . . . . . . . 5093 1 454 . 1 1 40 40 GLY HA2 H 1 4.00 0.02 . 1 . . . . . . . . 5093 1 455 . 1 1 40 40 GLY HA3 H 1 4.00 0.02 . 1 . . . . . . . . 5093 1 456 . 1 1 40 40 GLY C C 13 170.5 0.20 . 1 . . . . . . . . 5093 1 457 . 1 1 40 40 GLY CA C 13 45.8 0.20 . 1 . . . . . . . . 5093 1 458 . 1 1 40 40 GLY N N 15 107.7 0.25 . 1 . . . . . . . . 5093 1 459 . 1 1 41 41 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 5093 1 460 . 1 1 41 41 VAL HA H 1 5.06 0.02 . 1 . . . . . . . . 5093 1 461 . 1 1 41 41 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 5093 1 462 . 1 1 41 41 VAL HG11 H 1 0.74 0.02 . 1 . . . . . . . . 5093 1 463 . 1 1 41 41 VAL HG12 H 1 0.74 0.02 . 1 . . . . . . . . 5093 1 464 . 1 1 41 41 VAL HG13 H 1 0.74 0.02 . 1 . . . . . . . . 5093 1 465 . 1 1 41 41 VAL HG21 H 1 0.74 0.02 . 1 . . . . . . . . 5093 1 466 . 1 1 41 41 VAL HG22 H 1 0.74 0.02 . 1 . . . . . . . . 5093 1 467 . 1 1 41 41 VAL HG23 H 1 0.74 0.02 . 1 . . . . . . . . 5093 1 468 . 1 1 41 41 VAL C C 13 174.3 0.20 . 1 . . . . . . . . 5093 1 469 . 1 1 41 41 VAL CA C 13 60.6 0.20 . 1 . . . . . . . . 5093 1 470 . 1 1 41 41 VAL CB C 13 36.0 0.20 . 1 . . . . . . . . 5093 1 471 . 1 1 41 41 VAL CG1 C 13 22.0 0.20 . 1 . . . . . . . . 5093 1 472 . 1 1 41 41 VAL CG2 C 13 22.0 0.20 . 1 . . . . . . . . 5093 1 473 . 1 1 41 41 VAL N N 15 119.8 0.25 . 1 . . . . . . . . 5093 1 474 . 1 1 42 42 GLU H H 1 9.23 0.02 . 1 . . . . . . . . 5093 1 475 . 1 1 42 42 GLU HA H 1 4.67 0.02 . 1 . . . . . . . . 5093 1 476 . 1 1 42 42 GLU HB2 H 1 2.00 0.02 . 1 . . . . . . . . 5093 1 477 . 1 1 42 42 GLU HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5093 1 478 . 1 1 42 42 GLU C C 13 175.6 0.20 . 1 . . . . . . . . 5093 1 479 . 1 1 42 42 GLU CA C 13 54.2 0.20 . 1 . . . . . . . . 5093 1 480 . 1 1 42 42 GLU CB C 13 32.6 0.20 . 1 . . . . . . . . 5093 1 481 . 1 1 42 42 GLU CG C 13 35.4 0.20 . 1 . . . . . . . . 5093 1 482 . 1 1 42 42 GLU N N 15 125.7 0.25 . 1 . . . . . . . . 5093 1 483 . 1 1 43 43 MET H H 1 9.10 0.02 . 1 . . . . . . . . 5093 1 484 . 1 1 43 43 MET HA H 1 5.20 0.02 . 1 . . . . . . . . 5093 1 485 . 1 1 43 43 MET HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5093 1 486 . 1 1 43 43 MET HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5093 1 487 . 1 1 43 43 MET HG2 H 1 2.61 0.02 . 1 . . . . . . . . 5093 1 488 . 1 1 43 43 MET HG3 H 1 2.61 0.02 . 1 . . . . . . . . 5093 1 489 . 1 1 43 43 MET C C 13 176.9 0.20 . 1 . . . . . . . . 5093 1 490 . 1 1 43 43 MET CA C 13 53.1 0.20 . 1 . . . . . . . . 5093 1 491 . 1 1 43 43 MET CB C 13 33.7 0.20 . 1 . . . . . . . . 5093 1 492 . 1 1 43 43 MET CG C 13 31.7 0.20 . 1 . . . . . . . . 5093 1 493 . 1 1 43 43 MET N N 15 124.8 0.25 . 1 . . . . . . . . 5093 1 494 . 1 1 44 44 SER H H 1 8.74 0.02 . 1 . . . . . . . . 5093 1 495 . 1 1 44 44 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 5093 1 496 . 1 1 44 44 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 5093 1 497 . 1 1 44 44 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 5093 1 498 . 1 1 44 44 SER C C 13 176.7 0.20 . 1 . . . . . . . . 5093 1 499 . 1 1 44 44 SER CA C 13 58.2 0.20 . 1 . . . . . . . . 5093 1 500 . 1 1 44 44 SER CB C 13 63.5 0.20 . 1 . . . . . . . . 5093 1 501 . 1 1 44 44 SER N N 15 117.9 0.25 . 1 . . . . . . . . 5093 1 502 . 1 1 45 45 ARG H H 1 8.94 0.02 . 1 . . . . . . . . 5093 1 503 . 1 1 45 45 ARG HA H 1 3.988 0.02 . 1 . . . . . . . . 5093 1 504 . 1 1 45 45 ARG HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5093 1 505 . 1 1 45 45 ARG HB3 H 1 1.65 0.02 . 2 . . . . . . . . 5093 1 506 . 1 1 45 45 ARG HG2 H 1 1.7 0.02 . 1 . . . . . . . . 5093 1 507 . 1 1 45 45 ARG HG3 H 1 1.7 0.02 . 1 . . . . . . . . 5093 1 508 . 1 1 45 45 ARG HD2 H 1 3.17 0.02 . 1 . . . . . . . . 5093 1 509 . 1 1 45 45 ARG HD3 H 1 3.17 0.02 . 1 . . . . . . . . 5093 1 510 . 1 1 45 45 ARG C C 13 176.9 0.20 . 1 . . . . . . . . 5093 1 511 . 1 1 45 45 ARG CA C 13 59.0 0.20 . 1 . . . . . . . . 5093 1 512 . 1 1 45 45 ARG CB C 13 29.4 0.20 . 1 . . . . . . . . 5093 1 513 . 1 1 45 45 ARG CG C 13 27.0 0.20 . 1 . . . . . . . . 5093 1 514 . 1 1 45 45 ARG CD C 13 42.9 0.20 . 1 . . . . . . . . 5093 1 515 . 1 1 45 45 ARG N N 15 121.8 0.25 . 1 . . . . . . . . 5093 1 516 . 1 1 46 46 ASP H H 1 7.92 0.02 . 1 . . . . . . . . 5093 1 517 . 1 1 46 46 ASP HA H 1 4.39 0.02 . 1 . . . . . . . . 5093 1 518 . 1 1 46 46 ASP HB2 H 1 3.03 0.02 . 2 . . . . . . . . 5093 1 519 . 1 1 46 46 ASP HB3 H 1 2.54 0.02 . 2 . . . . . . . . 5093 1 520 . 1 1 46 46 ASP C C 13 176.3 0.20 . 1 . . . . . . . . 5093 1 521 . 1 1 46 46 ASP CA C 13 52.6 0.20 . 1 . . . . . . . . 5093 1 522 . 1 1 46 46 ASP CB C 13 39.9 0.20 . 1 . . . . . . . . 5093 1 523 . 1 1 46 46 ASP N N 15 113.9 0.25 . 1 . . . . . . . . 5093 1 524 . 1 1 47 47 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 5093 1 525 . 1 1 47 47 LEU HA H 1 3.66 0.02 . 1 . . . . . . . . 5093 1 526 . 1 1 47 47 LEU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5093 1 527 . 1 1 47 47 LEU HB3 H 1 1.53 0.02 . 2 . . . . . . . . 5093 1 528 . 1 1 47 47 LEU HD11 H 1 0.84 0.02 . 1 . . . . . . . . 5093 1 529 . 1 1 47 47 LEU HD12 H 1 0.84 0.02 . 1 . . . . . . . . 5093 1 530 . 1 1 47 47 LEU HD13 H 1 0.84 0.02 . 1 . . . . . . . . 5093 1 531 . 1 1 47 47 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 5093 1 532 . 1 1 47 47 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 5093 1 533 . 1 1 47 47 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 5093 1 534 . 1 1 47 47 LEU C C 13 174.8 0.20 . 1 . . . . . . . . 5093 1 535 . 1 1 47 47 LEU CA C 13 56.8 0.20 . 1 . . . . . . . . 5093 1 536 . 1 1 47 47 LEU CB C 13 38.5 0.20 . 1 . . . . . . . . 5093 1 537 . 1 1 47 47 LEU CG C 13 27.4 0.20 . 1 . . . . . . . . 5093 1 538 . 1 1 47 47 LEU CD1 C 13 25.6 0.20 . 2 . . . . . . . . 5093 1 539 . 1 1 47 47 LEU CD2 C 13 23.3 0.20 . 2 . . . . . . . . 5093 1 540 . 1 1 47 47 LEU N N 15 113.6 0.25 . 1 . . . . . . . . 5093 1 541 . 1 1 48 48 ALA H H 1 7.54 0.02 . 1 . . . . . . . . 5093 1 542 . 1 1 48 48 ALA HA H 1 3.94 0.02 . 1 . . . . . . . . 5093 1 543 . 1 1 48 48 ALA HB1 H 1 1.08 0.02 . 1 . . . . . . . . 5093 1 544 . 1 1 48 48 ALA HB2 H 1 1.08 0.02 . 1 . . . . . . . . 5093 1 545 . 1 1 48 48 ALA HB3 H 1 1.08 0.02 . 1 . . . . . . . . 5093 1 546 . 1 1 48 48 ALA C C 13 177.4 0.20 . 1 . . . . . . . . 5093 1 547 . 1 1 48 48 ALA CA C 13 53.1 0.20 . 1 . . . . . . . . 5093 1 548 . 1 1 48 48 ALA CB C 13 19.5 0.20 . 1 . . . . . . . . 5093 1 549 . 1 1 48 48 ALA N N 15 118.1 0.25 . 1 . . . . . . . . 5093 1 550 . 1 1 49 49 TYR H H 1 7.95 0.02 . 1 . . . . . . . . 5093 1 551 . 1 1 49 49 TYR HA H 1 4.97 0.02 . 1 . . . . . . . . 5093 1 552 . 1 1 49 49 TYR HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5093 1 553 . 1 1 49 49 TYR HB3 H 1 3.00 0.02 . 2 . . . . . . . . 5093 1 554 . 1 1 49 49 TYR C C 13 173.5 0.20 . 1 . . . . . . . . 5093 1 555 . 1 1 49 49 TYR CA C 13 56.6 0.20 . 1 . . . . . . . . 5093 1 556 . 1 1 49 49 TYR CB C 13 41.5 0.20 . 1 . . . . . . . . 5093 1 557 . 1 1 49 49 TYR CD1 C 13 133.5 0.20 . 1 . . . . . . . . 5093 1 558 . 1 1 49 49 TYR CD2 C 13 133.5 0.20 . 1 . . . . . . . . 5093 1 559 . 1 1 49 49 TYR CE1 C 13 117.8 0.20 . 1 . . . . . . . . 5093 1 560 . 1 1 49 49 TYR CE2 C 13 117.8 0.20 . 1 . . . . . . . . 5093 1 561 . 1 1 49 49 TYR HD1 H 1 7.09 0.02 . 1 . . . . . . . . 5093 1 562 . 1 1 49 49 TYR HD2 H 1 7.09 0.02 . 1 . . . . . . . . 5093 1 563 . 1 1 49 49 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 5093 1 564 . 1 1 49 49 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 5093 1 565 . 1 1 49 49 TYR N N 15 115.8 0.25 . 1 . . . . . . . . 5093 1 566 . 1 1 50 50 ALA H H 1 8.88 0.02 . 1 . . . . . . . . 5093 1 567 . 1 1 50 50 ALA HA H 1 5.15 0.02 . 1 . . . . . . . . 5093 1 568 . 1 1 50 50 ALA HB1 H 1 0.98 0.02 . 1 . . . . . . . . 5093 1 569 . 1 1 50 50 ALA HB2 H 1 0.98 0.02 . 1 . . . . . . . . 5093 1 570 . 1 1 50 50 ALA HB3 H 1 0.98 0.02 . 1 . . . . . . . . 5093 1 571 . 1 1 50 50 ALA C C 13 175.5 0.20 . 1 . . . . . . . . 5093 1 572 . 1 1 50 50 ALA CA C 13 50.6 0.20 . 1 . . . . . . . . 5093 1 573 . 1 1 50 50 ALA CB C 13 21.9 0.20 . 1 . . . . . . . . 5093 1 574 . 1 1 50 50 ALA N N 15 123.0 0.25 . 1 . . . . . . . . 5093 1 575 . 1 1 51 51 LYS H H 1 8.79 0.02 . 1 . . . . . . . . 5093 1 576 . 1 1 51 51 LYS HA H 1 4.75 0.02 . 1 . . . . . . . . 5093 1 577 . 1 1 51 51 LYS HB2 H 1 1.66 0.02 . 2 . . . . . . . . 5093 1 578 . 1 1 51 51 LYS HB3 H 1 1.32 0.02 . 2 . . . . . . . . 5093 1 579 . 1 1 51 51 LYS HE2 H 1 2.62 0.02 . 1 . . . . . . . . 5093 1 580 . 1 1 51 51 LYS HE3 H 1 2.62 0.02 . 1 . . . . . . . . 5093 1 581 . 1 1 51 51 LYS HG2 H 1 1.19 0.02 . 2 . . . . . . . . 5093 1 582 . 1 1 51 51 LYS HG3 H 1 1.51 0.02 . 2 . . . . . . . . 5093 1 583 . 1 1 51 51 LYS C C 13 174.6 0.20 . 1 . . . . . . . . 5093 1 584 . 1 1 51 51 LYS CA C 13 54.6 0.20 . 1 . . . . . . . . 5093 1 585 . 1 1 51 51 LYS CB C 13 34.0 0.20 . 1 . . . . . . . . 5093 1 586 . 1 1 51 51 LYS CG C 13 25.0 0.20 . 1 . . . . . . . . 5093 1 587 . 1 1 51 51 LYS CE C 13 41.7 0.20 . 1 . . . . . . . . 5093 1 588 . 1 1 51 51 LYS N N 15 122.9 0.25 . 1 . . . . . . . . 5093 1 589 . 1 1 52 52 VAL H H 1 8.82 0.02 . 1 . . . . . . . . 5093 1 590 . 1 1 52 52 VAL HA H 1 4.28 0.02 . 1 . . . . . . . . 5093 1 591 . 1 1 52 52 VAL HB H 1 1.41 0.02 . 1 . . . . . . . . 5093 1 592 . 1 1 52 52 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 5093 1 593 . 1 1 52 52 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 5093 1 594 . 1 1 52 52 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 5093 1 595 . 1 1 52 52 VAL HG21 H 1 0.37 0.02 . 2 . . . . . . . . 5093 1 596 . 1 1 52 52 VAL HG22 H 1 0.37 0.02 . 2 . . . . . . . . 5093 1 597 . 1 1 52 52 VAL HG23 H 1 0.37 0.02 . 2 . . . . . . . . 5093 1 598 . 1 1 52 52 VAL C C 13 173.8 0.20 . 1 . . . . . . . . 5093 1 599 . 1 1 52 52 VAL CA C 13 61.1 0.20 . 1 . . . . . . . . 5093 1 600 . 1 1 52 52 VAL CB C 13 32.3 0.20 . 1 . . . . . . . . 5093 1 601 . 1 1 52 52 VAL CG1 C 13 22.4 0.20 . 2 . . . . . . . . 5093 1 602 . 1 1 52 52 VAL CG2 C 13 20.6 0.20 . 2 . . . . . . . . 5093 1 603 . 1 1 52 52 VAL N N 15 123.9 0.25 . 1 . . . . . . . . 5093 1 604 . 1 1 53 53 TYR H H 1 8.81 0.02 . 1 . . . . . . . . 5093 1 605 . 1 1 53 53 TYR HA H 1 5.27 0.02 . 1 . . . . . . . . 5093 1 606 . 1 1 53 53 TYR HB2 H 1 2.66 0.02 . 1 . . . . . . . . 5093 1 607 . 1 1 53 53 TYR HB3 H 1 2.66 0.02 . 1 . . . . . . . . 5093 1 608 . 1 1 53 53 TYR C C 13 176.2 0.20 . 1 . . . . . . . . 5093 1 609 . 1 1 53 53 TYR CA C 13 57.2 0.20 . 1 . . . . . . . . 5093 1 610 . 1 1 53 53 TYR CB C 13 39.5 0.20 . 1 . . . . . . . . 5093 1 611 . 1 1 53 53 TYR N N 15 126.9 0.25 . 1 . . . . . . . . 5093 1 612 . 1 1 53 53 TYR CD1 C 13 132.7 0.20 . 1 . . . . . . . . 5093 1 613 . 1 1 53 53 TYR CD2 C 13 132.7 0.20 . 1 . . . . . . . . 5093 1 614 . 1 1 53 53 TYR CE1 C 13 117.8 0.20 . 1 . . . . . . . . 5093 1 615 . 1 1 53 53 TYR CE2 C 13 117.8 0.20 . 1 . . . . . . . . 5093 1 616 . 1 1 53 53 TYR HD1 H 1 6.70 0.02 . 1 . . . . . . . . 5093 1 617 . 1 1 53 53 TYR HD2 H 1 6.70 0.02 . 1 . . . . . . . . 5093 1 618 . 1 1 53 53 TYR HE1 H 1 6.39 0.02 . 1 . . . . . . . . 5093 1 619 . 1 1 53 53 TYR HE2 H 1 6.39 0.02 . 1 . . . . . . . . 5093 1 620 . 1 1 54 54 VAL H H 1 8.71 0.02 . 1 . . . . . . . . 5093 1 621 . 1 1 54 54 VAL HA H 1 5.48 0.02 . 1 . . . . . . . . 5093 1 622 . 1 1 54 54 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5093 1 623 . 1 1 54 54 VAL HG11 H 1 0.67 0.02 . 1 . . . . . . . . 5093 1 624 . 1 1 54 54 VAL HG12 H 1 0.67 0.02 . 1 . . . . . . . . 5093 1 625 . 1 1 54 54 VAL HG13 H 1 0.67 0.02 . 1 . . . . . . . . 5093 1 626 . 1 1 54 54 VAL HG21 H 1 0.67 0.02 . 1 . . . . . . . . 5093 1 627 . 1 1 54 54 VAL HG22 H 1 0.67 0.02 . 1 . . . . . . . . 5093 1 628 . 1 1 54 54 VAL HG23 H 1 0.67 0.02 . 1 . . . . . . . . 5093 1 629 . 1 1 54 54 VAL C C 13 174.7 0.20 . 1 . . . . . . . . 5093 1 630 . 1 1 54 54 VAL CA C 13 58.5 0.20 . 1 . . . . . . . . 5093 1 631 . 1 1 54 54 VAL CB C 13 35.6 0.20 . 1 . . . . . . . . 5093 1 632 . 1 1 54 54 VAL CG2 C 13 19.1 0.20 . 1 . . . . . . . . 5093 1 633 . 1 1 54 54 VAL CG1 C 13 19.1 0.20 . 1 . . . . . . . . 5093 1 634 . 1 1 54 54 VAL N N 15 115.0 0.25 . 1 . . . . . . . . 5093 1 635 . 1 1 55 55 THR HA H 1 4.39 0.02 . 1 . . . . . . . . 5093 1 636 . 1 1 55 55 THR HB H 1 4.12 0.02 . 1 . . . . . . . . 5093 1 637 . 1 1 55 55 THR HG21 H 1 1.06 0.02 . 1 . . . . . . . . 5093 1 638 . 1 1 55 55 THR HG22 H 1 1.06 0.02 . 1 . . . . . . . . 5093 1 639 . 1 1 55 55 THR HG23 H 1 1.06 0.02 . 1 . . . . . . . . 5093 1 640 . 1 1 55 55 THR H H 1 8.60 0.02 . 1 . . . . . . . . 5093 1 641 . 1 1 55 55 THR C C 13 172.6 0.20 . 1 . . . . . . . . 5093 1 642 . 1 1 55 55 THR CA C 13 60.0 0.20 . 1 . . . . . . . . 5093 1 643 . 1 1 55 55 THR CB C 13 71.0 0.20 . 1 . . . . . . . . 5093 1 644 . 1 1 55 55 THR CG2 C 13 21.8 0.20 . 1 . . . . . . . . 5093 1 645 . 1 1 55 55 THR N N 15 111.9 0.25 . 1 . . . . . . . . 5093 1 646 . 1 1 56 56 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 5093 1 647 . 1 1 56 56 PHE HA H 1 5.44 0.02 . 1 . . . . . . . . 5093 1 648 . 1 1 56 56 PHE HB2 H 1 3.40 0.02 . 2 . . . . . . . . 5093 1 649 . 1 1 56 56 PHE HB3 H 1 2.99 0.02 . 2 . . . . . . . . 5093 1 650 . 1 1 56 56 PHE HE1 H 1 7.15 0.02 . 1 . . . . . . . . 5093 1 651 . 1 1 56 56 PHE HE2 H 1 7.15 0.02 . 1 . . . . . . . . 5093 1 652 . 1 1 56 56 PHE HD1 H 1 6.93 0.02 . 1 . . . . . . . . 5093 1 653 . 1 1 56 56 PHE HD2 H 1 6.93 0.02 . 1 . . . . . . . . 5093 1 654 . 1 1 56 56 PHE HZ H 1 7.28 0.02 . 1 . . . . . . . . 5093 1 655 . 1 1 56 56 PHE C C 13 176.2 0.20 . 1 . . . . . . . . 5093 1 656 . 1 1 56 56 PHE CA C 13 55.2 0.20 . 1 . . . . . . . . 5093 1 657 . 1 1 56 56 PHE CB C 13 41.2 0.20 . 1 . . . . . . . . 5093 1 658 . 1 1 56 56 PHE CE1 C 13 131.7 0.20 . 1 . . . . . . . . 5093 1 659 . 1 1 56 56 PHE CE2 C 13 131.7 0.20 . 1 . . . . . . . . 5093 1 660 . 1 1 56 56 PHE CD1 C 13 131.7 0.20 . 1 . . . . . . . . 5093 1 661 . 1 1 56 56 PHE CD2 C 13 131.7 0.20 . 1 . . . . . . . . 5093 1 662 . 1 1 56 56 PHE CZ C 13 132.1 0.20 . 1 . . . . . . . . 5093 1 663 . 1 1 56 56 PHE N N 15 118.5 0.25 . 1 . . . . . . . . 5093 1 664 . 1 1 57 57 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 5093 1 665 . 1 1 57 57 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 5093 1 666 . 1 1 57 57 LEU HB2 H 1 1.67 0.02 . 1 . . . . . . . . 5093 1 667 . 1 1 57 57 LEU HB3 H 1 1.67 0.02 . 1 . . . . . . . . 5093 1 668 . 1 1 57 57 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 5093 1 669 . 1 1 57 57 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5093 1 670 . 1 1 57 57 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5093 1 671 . 1 1 57 57 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5093 1 672 . 1 1 57 57 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 5093 1 673 . 1 1 57 57 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 5093 1 674 . 1 1 57 57 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 5093 1 675 . 1 1 57 57 LEU C C 13 177.6 0.20 . 1 . . . . . . . . 5093 1 676 . 1 1 57 57 LEU CA C 13 56.6 0.20 . 1 . . . . . . . . 5093 1 677 . 1 1 57 57 LEU CB C 13 42.4 0.20 . 1 . . . . . . . . 5093 1 678 . 1 1 57 57 LEU CG C 13 27.0 0.20 . 1 . . . . . . . . 5093 1 679 . 1 1 57 57 LEU CD1 C 13 24.5 0.20 . 1 . . . . . . . . 5093 1 680 . 1 1 57 57 LEU CD2 C 13 24.5 0.20 . 1 . . . . . . . . 5093 1 681 . 1 1 57 57 LEU N N 15 120.4 0.25 . 1 . . . . . . . . 5093 1 682 . 1 1 58 58 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 5093 1 683 . 1 1 58 58 ASN HA H 1 4.82 0.02 . 1 . . . . . . . . 5093 1 684 . 1 1 58 58 ASN HB2 H 1 2.95 0.02 . 2 . . . . . . . . 5093 1 685 . 1 1 58 58 ASN HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5093 1 686 . 1 1 58 58 ASN HD21 H 1 7.52 0.02 . 2 . . . . . . . . 5093 1 687 . 1 1 58 58 ASN HD22 H 1 6.83 0.02 . 2 . . . . . . . . 5093 1 688 . 1 1 58 58 ASN C C 13 174.5 0.20 . 1 . . . . . . . . 5093 1 689 . 1 1 58 58 ASN CA C 13 52.3 0.20 . 1 . . . . . . . . 5093 1 690 . 1 1 58 58 ASN CB C 13 37.9 0.20 . 1 . . . . . . . . 5093 1 691 . 1 1 58 58 ASN N N 15 115.5 0.25 . 1 . . . . . . . . 5093 1 692 . 1 1 58 58 ASN ND2 N 15 111.1 0.25 . 1 . . . . . . . . 5093 1 693 . 1 1 59 59 ASP H H 1 8.05 0.02 . 1 . . . . . . . . 5093 1 694 . 1 1 59 59 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 5093 1 695 . 1 1 59 59 ASP HB2 H 1 2.74 0.02 . 1 . . . . . . . . 5093 1 696 . 1 1 59 59 ASP HB3 H 1 2.74 0.02 . 1 . . . . . . . . 5093 1 697 . 1 1 59 59 ASP C C 13 176.2 0.20 . 1 . . . . . . . . 5093 1 698 . 1 1 59 59 ASP CA C 13 53.3 0.20 . 1 . . . . . . . . 5093 1 699 . 1 1 59 59 ASP CB C 13 39.8 0.20 . 1 . . . . . . . . 5093 1 700 . 1 1 59 59 ASP N N 15 118.5 0.25 . 1 . . . . . . . . 5093 1 701 . 1 1 60 60 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 5093 1 702 . 1 1 60 60 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 5093 1 703 . 1 1 60 60 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5093 1 704 . 1 1 60 60 LYS HB3 H 1 1.41 0.02 . 2 . . . . . . . . 5093 1 705 . 1 1 60 60 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 5093 1 706 . 1 1 60 60 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 5093 1 707 . 1 1 60 60 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 5093 1 708 . 1 1 60 60 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 5093 1 709 . 1 1 60 60 LYS C C 13 176.2 0.20 . 1 . . . . . . . . 5093 1 710 . 1 1 60 60 LYS CA C 13 56.5 0.20 . 1 . . . . . . . . 5093 1 711 . 1 1 60 60 LYS CB C 13 32.4 0.20 . 1 . . . . . . . . 5093 1 712 . 1 1 60 60 LYS CG C 13 24.6 0.20 . 1 . . . . . . . . 5093 1 713 . 1 1 60 60 LYS CD C 13 32.4 0.20 . 1 . . . . . . . . 5093 1 714 . 1 1 60 60 LYS CE C 13 41.9 0.20 . 1 . . . . . . . . 5093 1 715 . 1 1 60 60 LYS N N 15 118.0 0.25 . 1 . . . . . . . . 5093 1 716 . 1 1 61 61 ASP H H 1 7.63 0.02 . 1 . . . . . . . . 5093 1 717 . 1 1 61 61 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 5093 1 718 . 1 1 61 61 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5093 1 719 . 1 1 61 61 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5093 1 720 . 1 1 61 61 ASP C C 13 175.7 0.20 . 1 . . . . . . . . 5093 1 721 . 1 1 61 61 ASP CA C 13 52.3 0.20 . 1 . . . . . . . . 5093 1 722 . 1 1 61 61 ASP CB C 13 41.0 0.20 . 1 . . . . . . . . 5093 1 723 . 1 1 61 61 ASP N N 15 118.0 0.25 . 1 . . . . . . . . 5093 1 724 . 1 1 62 62 GLU H H 1 8.62 0.02 . 1 . . . . . . . . 5093 1 725 . 1 1 62 62 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . 5093 1 726 . 1 1 62 62 GLU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5093 1 727 . 1 1 62 62 GLU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5093 1 728 . 1 1 62 62 GLU HG2 H 1 2.34 0.02 . 1 . . . . . . . . 5093 1 729 . 1 1 62 62 GLU HG3 H 1 2.34 0.02 . 1 . . . . . . . . 5093 1 730 . 1 1 62 62 GLU C C 13 178.5 0.20 . 1 . . . . . . . . 5093 1 731 . 1 1 62 62 GLU CA C 13 59.1 0.20 . 1 . . . . . . . . 5093 1 732 . 1 1 62 62 GLU CB C 13 29.2 0.20 . 1 . . . . . . . . 5093 1 733 . 1 1 62 62 GLU CG C 13 34.8 0.20 . 1 . . . . . . . . 5093 1 734 . 1 1 62 62 GLU N N 15 122.5 0.25 . 1 . . . . . . . . 5093 1 735 . 1 1 63 63 ASP H H 1 8.28 0.02 . 1 . . . . . . . . 5093 1 736 . 1 1 63 63 ASP HA H 1 4.34 0.02 . 1 . . . . . . . . 5093 1 737 . 1 1 63 63 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5093 1 738 . 1 1 63 63 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5093 1 739 . 1 1 63 63 ASP C C 13 178.8 0.20 . 1 . . . . . . . . 5093 1 740 . 1 1 63 63 ASP CA C 13 57.1 0.20 . 1 . . . . . . . . 5093 1 741 . 1 1 63 63 ASP CB C 13 39.7 0.20 . 1 . . . . . . . . 5093 1 742 . 1 1 63 63 ASP N N 15 118.4 0.25 . 1 . . . . . . . . 5093 1 743 . 1 1 64 64 ALA H H 1 7.83 0.02 . 1 . . . . . . . . 5093 1 744 . 1 1 64 64 ALA N N 15 124.2 0.25 . 1 . . . . . . . . 5093 1 745 . 1 1 64 64 ALA HA H 1 4.07 0.02 . 1 . . . . . . . . 5093 1 746 . 1 1 64 64 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 5093 1 747 . 1 1 64 64 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 5093 1 748 . 1 1 64 64 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 5093 1 749 . 1 1 64 64 ALA C C 13 175.6 0.20 . 1 . . . . . . . . 5093 1 750 . 1 1 64 64 ALA CA C 13 54.4 0.20 . 1 . . . . . . . . 5093 1 751 . 1 1 64 64 ALA CB C 13 18.0 0.20 . 1 . . . . . . . . 5093 1 752 . 1 1 65 65 VAL H H 1 7.85 0.02 . 1 . . . . . . . . 5093 1 753 . 1 1 65 65 VAL HA H 1 3.19 0.02 . 1 . . . . . . . . 5093 1 754 . 1 1 65 65 VAL HB H 1 1.83 0.02 . 1 . . . . . . . . 5093 1 755 . 1 1 65 65 VAL HG11 H 1 0.57 0.02 . 2 . . . . . . . . 5093 1 756 . 1 1 65 65 VAL HG12 H 1 0.57 0.02 . 2 . . . . . . . . 5093 1 757 . 1 1 65 65 VAL HG13 H 1 0.57 0.02 . 2 . . . . . . . . 5093 1 758 . 1 1 65 65 VAL HG21 H 1 0.30 0.02 . 2 . . . . . . . . 5093 1 759 . 1 1 65 65 VAL HG22 H 1 0.30 0.02 . 2 . . . . . . . . 5093 1 760 . 1 1 65 65 VAL HG23 H 1 0.30 0.02 . 2 . . . . . . . . 5093 1 761 . 1 1 65 65 VAL C C 13 177.7 0.20 . 1 . . . . . . . . 5093 1 762 . 1 1 65 65 VAL CA C 13 66.1 0.20 . 1 . . . . . . . . 5093 1 763 . 1 1 65 65 VAL CB C 13 31.0 0.20 . 1 . . . . . . . . 5093 1 764 . 1 1 65 65 VAL CG1 C 13 22.0 0.20 . 2 . . . . . . . . 5093 1 765 . 1 1 65 65 VAL CG2 C 13 20.6 0.20 . 2 . . . . . . . . 5093 1 766 . 1 1 65 65 VAL N N 15 119.8 0.25 . 1 . . . . . . . . 5093 1 767 . 1 1 66 66 LYS H H 1 7.94 0.02 . 1 . . . . . . . . 5093 1 768 . 1 1 66 66 LYS HA H 1 3.77 0.02 . 1 . . . . . . . . 5093 1 769 . 1 1 66 66 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . 5093 1 770 . 1 1 66 66 LYS HB3 H 1 1.82 0.02 . 1 . . . . . . . . 5093 1 771 . 1 1 66 66 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 5093 1 772 . 1 1 66 66 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 5093 1 773 . 1 1 66 66 LYS C C 13 179.9 0.20 . 1 . . . . . . . . 5093 1 774 . 1 1 66 66 LYS CA C 13 59.6 0.20 . 1 . . . . . . . . 5093 1 775 . 1 1 66 66 LYS CB C 13 32.2 0.20 . 1 . . . . . . . . 5093 1 776 . 1 1 66 66 LYS CG C 13 23.5 0.20 . 1 . . . . . . . . 5093 1 777 . 1 1 66 66 LYS N N 15 117.5 0.25 . 1 . . . . . . . . 5093 1 778 . 1 1 67 67 ALA H H 1 7.90 0.02 . 1 . . . . . . . . 5093 1 779 . 1 1 67 67 ALA HA H 1 4.07 0.02 . 1 . . . . . . . . 5093 1 780 . 1 1 67 67 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5093 1 781 . 1 1 67 67 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5093 1 782 . 1 1 67 67 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5093 1 783 . 1 1 67 67 ALA C C 13 179.9 0.20 . 1 . . . . . . . . 5093 1 784 . 1 1 67 67 ALA CA C 13 54.4 0.20 . 1 . . . . . . . . 5093 1 785 . 1 1 67 67 ALA CB C 13 17.7 0.20 . 1 . . . . . . . . 5093 1 786 . 1 1 67 67 ALA N N 15 120.7 0.25 . 1 . . . . . . . . 5093 1 787 . 1 1 68 68 GLY H H 1 8.05 0.02 . 1 . . . . . . . . 5093 1 788 . 1 1 68 68 GLY HA2 H 1 3.46 0.02 . 2 . . . . . . . . 5093 1 789 . 1 1 68 68 GLY HA3 H 1 3.34 0.02 . 2 . . . . . . . . 5093 1 790 . 1 1 68 68 GLY C C 13 175.3 0.20 . 1 . . . . . . . . 5093 1 791 . 1 1 68 68 GLY CA C 13 46.9 0.20 . 1 . . . . . . . . 5093 1 792 . 1 1 68 68 GLY N N 15 107.5 0.25 . 1 . . . . . . . . 5093 1 793 . 1 1 69 69 ILE H H 1 8.25 0.02 . 1 . . . . . . . . 5093 1 794 . 1 1 69 69 ILE HA H 1 3.80 0.02 . 1 . . . . . . . . 5093 1 795 . 1 1 69 69 ILE HB H 1 2.14 0.02 . 1 . . . . . . . . 5093 1 796 . 1 1 69 69 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 5093 1 797 . 1 1 69 69 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 5093 1 798 . 1 1 69 69 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 5093 1 799 . 1 1 69 69 ILE HG12 H 1 1.60 0.02 . 1 . . . . . . . . 5093 1 800 . 1 1 69 69 ILE HG13 H 1 1.60 0.02 . 1 . . . . . . . . 5093 1 801 . 1 1 69 69 ILE HD11 H 1 0.72 0.02 . 1 . . . . . . . . 5093 1 802 . 1 1 69 69 ILE HD12 H 1 0.72 0.02 . 1 . . . . . . . . 5093 1 803 . 1 1 69 69 ILE HD13 H 1 0.72 0.02 . 1 . . . . . . . . 5093 1 804 . 1 1 69 69 ILE C C 13 181.2 0.20 . 1 . . . . . . . . 5093 1 805 . 1 1 69 69 ILE CA C 13 62.2 0.20 . 1 . . . . . . . . 5093 1 806 . 1 1 69 69 ILE CB C 13 35.2 0.20 . 1 . . . . . . . . 5093 1 807 . 1 1 69 69 ILE CG2 C 13 17.1 0.20 . 1 . . . . . . . . 5093 1 808 . 1 1 69 69 ILE CD1 C 13 10.1 0.20 . 1 . . . . . . . . 5093 1 809 . 1 1 69 69 ILE N N 15 120.8 0.25 . 1 . . . . . . . . 5093 1 810 . 1 1 70 70 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 5093 1 811 . 1 1 70 70 LYS CA C 13 59.2 0.20 . 1 . . . . . . . . 5093 1 812 . 1 1 70 70 LYS CB C 13 27.2 0.20 . 1 . . . . . . . . 5093 1 813 . 1 1 70 70 LYS N N 15 119.7 0.25 . 1 . . . . . . . . 5093 1 814 . 1 1 71 71 ALA H H 1 7.93 0.02 . 1 . . . . . . . . 5093 1 815 . 1 1 71 71 ALA HA H 1 3.92 0.02 . 1 . . . . . . . . 5093 1 816 . 1 1 71 71 ALA HB1 H 1 1.30 0.02 . 1 . . . . . . . . 5093 1 817 . 1 1 71 71 ALA HB2 H 1 1.30 0.02 . 1 . . . . . . . . 5093 1 818 . 1 1 71 71 ALA HB3 H 1 1.30 0.02 . 1 . . . . . . . . 5093 1 819 . 1 1 71 71 ALA C C 13 181.0 0.20 . 1 . . . . . . . . 5093 1 820 . 1 1 71 71 ALA CA C 13 54.9 0.20 . 1 . . . . . . . . 5093 1 821 . 1 1 71 71 ALA CB C 13 18.2 0.20 . 1 . . . . . . . . 5093 1 822 . 1 1 71 71 ALA N N 15 120.2 0.25 . 1 . . . . . . . . 5093 1 823 . 1 1 72 72 LEU H H 1 7.69 0.02 . 1 . . . . . . . . 5093 1 824 . 1 1 72 72 LEU HA H 1 3.47 0.02 . 1 . . . . . . . . 5093 1 825 . 1 1 72 72 LEU HB2 H 1 1.39 0.02 . 1 . . . . . . . . 5093 1 826 . 1 1 72 72 LEU HB3 H 1 1.39 0.02 . 1 . . . . . . . . 5093 1 827 . 1 1 72 72 LEU HD11 H 1 0.68 0.02 . 1 . . . . . . . . 5093 1 828 . 1 1 72 72 LEU HD12 H 1 0.68 0.02 . 1 . . . . . . . . 5093 1 829 . 1 1 72 72 LEU HD13 H 1 0.68 0.02 . 1 . . . . . . . . 5093 1 830 . 1 1 72 72 LEU HD21 H 1 0.68 0.02 . 1 . . . . . . . . 5093 1 831 . 1 1 72 72 LEU HD22 H 1 0.68 0.02 . 1 . . . . . . . . 5093 1 832 . 1 1 72 72 LEU HD23 H 1 0.68 0.02 . 1 . . . . . . . . 5093 1 833 . 1 1 72 72 LEU C C 13 177.9 0.20 . 1 . . . . . . . . 5093 1 834 . 1 1 72 72 LEU CA C 13 57.5 0.20 . 1 . . . . . . . . 5093 1 835 . 1 1 72 72 LEU CB C 13 39.9 0.20 . 1 . . . . . . . . 5093 1 836 . 1 1 72 72 LEU CG C 13 26.2 0.20 . 1 . . . . . . . . 5093 1 837 . 1 1 72 72 LEU CD1 C 13 23.4 0.20 . 1 . . . . . . . . 5093 1 838 . 1 1 72 72 LEU CD2 C 13 23.4 0.20 . 1 . . . . . . . . 5093 1 839 . 1 1 72 72 LEU N N 15 118.8 0.25 . 1 . . . . . . . . 5093 1 840 . 1 1 73 73 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 5093 1 841 . 1 1 73 73 GLN HA H 1 4.00 0.02 . 1 . . . . . . . . 5093 1 842 . 1 1 73 73 GLN HB2 H 1 2.40 0.02 . 2 . . . . . . . . 5093 1 843 . 1 1 73 73 GLN HB3 H 1 2.26 0.02 . 2 . . . . . . . . 5093 1 844 . 1 1 73 73 GLN HG2 H 1 2.56 0.02 . 1 . . . . . . . . 5093 1 845 . 1 1 73 73 GLN HG3 H 1 2.56 0.02 . 1 . . . . . . . . 5093 1 846 . 1 1 73 73 GLN HE21 H 1 6.88 0.02 . 2 . . . . . . . . 5093 1 847 . 1 1 73 73 GLN HE22 H 1 7.61 0.02 . 2 . . . . . . . . 5093 1 848 . 1 1 73 73 GLN C C 13 181.6 0.20 . 1 . . . . . . . . 5093 1 849 . 1 1 73 73 GLN CA C 13 58.6 0.20 . 1 . . . . . . . . 5093 1 850 . 1 1 73 73 GLN CB C 13 28.4 0.20 . 1 . . . . . . . . 5093 1 851 . 1 1 73 73 GLN CG C 13 33.9 0.20 . 1 . . . . . . . . 5093 1 852 . 1 1 73 73 GLN N N 15 117.7 0.25 . 1 . . . . . . . . 5093 1 853 . 1 1 73 73 GLN NE2 N 15 114.0 0.25 . 1 . . . . . . . . 5093 1 854 . 1 1 74 74 GLU H H 1 8.74 0.02 . 1 . . . . . . . . 5093 1 855 . 1 1 74 74 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 5093 1 856 . 1 1 74 74 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 5093 1 857 . 1 1 74 74 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 5093 1 858 . 1 1 74 74 GLU HG2 H 1 2.60 0.02 . 2 . . . . . . . . 5093 1 859 . 1 1 74 74 GLU HG3 H 1 2.34 0.02 . 2 . . . . . . . . 5093 1 860 . 1 1 74 74 GLU C C 13 178.4 0.20 . 1 . . . . . . . . 5093 1 861 . 1 1 74 74 GLU CA C 13 58.7 0.20 . 1 . . . . . . . . 5093 1 862 . 1 1 74 74 GLU CB C 13 29.1 0.20 . 1 . . . . . . . . 5093 1 863 . 1 1 74 74 GLU CG C 13 36.2 0.20 . 1 . . . . . . . . 5093 1 864 . 1 1 74 74 GLU N N 15 119.5 0.25 . 1 . . . . . . . . 5093 1 865 . 1 1 75 75 ALA H H 1 7.53 0.02 . 1 . . . . . . . . 5093 1 866 . 1 1 75 75 ALA HA H 1 4.70 0.02 . 1 . . . . . . . . 5093 1 867 . 1 1 75 75 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 5093 1 868 . 1 1 75 75 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5093 1 869 . 1 1 75 75 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5093 1 870 . 1 1 75 75 ALA C C 13 178.3 0.20 . 1 . . . . . . . . 5093 1 871 . 1 1 75 75 ALA CA C 13 51.7 0.20 . 1 . . . . . . . . 5093 1 872 . 1 1 75 75 ALA CB C 13 18.2 0.20 . 1 . . . . . . . . 5093 1 873 . 1 1 75 75 ALA N N 15 119.8 0.25 . 1 . . . . . . . . 5093 1 874 . 1 1 76 76 SER H H 1 7.79 0.02 . 1 . . . . . . . . 5093 1 875 . 1 1 76 76 SER HA H 1 3.98 0.02 . 1 . . . . . . . . 5093 1 876 . 1 1 76 76 SER HB2 H 1 4.38 0.02 . 2 . . . . . . . . 5093 1 877 . 1 1 76 76 SER HB3 H 1 4.22 0.02 . 2 . . . . . . . . 5093 1 878 . 1 1 76 76 SER C C 13 176.4 0.20 . 1 . . . . . . . . 5093 1 879 . 1 1 76 76 SER CA C 13 63.3 0.20 . 1 . . . . . . . . 5093 1 880 . 1 1 76 76 SER CB C 13 62.9 0.20 . 1 . . . . . . . . 5093 1 881 . 1 1 76 76 SER N N 15 115.8 0.25 . 1 . . . . . . . . 5093 1 882 . 1 1 77 77 GLY H H 1 8.83 0.02 . 1 . . . . . . . . 5093 1 883 . 1 1 77 77 GLY HA2 H 1 3.88 0.02 . 2 . . . . . . . . 5093 1 884 . 1 1 77 77 GLY HA3 H 1 4.02 0.02 . 2 . . . . . . . . 5093 1 885 . 1 1 77 77 GLY C C 13 176.5 0.20 . 1 . . . . . . . . 5093 1 886 . 1 1 77 77 GLY CA C 13 47.2 0.20 . 1 . . . . . . . . 5093 1 887 . 1 1 77 77 GLY N N 15 110.7 0.25 . 1 . . . . . . . . 5093 1 888 . 1 1 78 78 PHE H H 1 8.09 0.02 . 1 . . . . . . . . 5093 1 889 . 1 1 78 78 PHE HA H 1 4.56 0.02 . 1 . . . . . . . . 5093 1 890 . 1 1 78 78 PHE HB2 H 1 3.33 0.02 . 2 . . . . . . . . 5093 1 891 . 1 1 78 78 PHE HB3 H 1 3.24 0.02 . 2 . . . . . . . . 5093 1 892 . 1 1 78 78 PHE C C 13 178.2 0.20 . 1 . . . . . . . . 5093 1 893 . 1 1 78 78 PHE CA C 13 59.6 0.20 . 1 . . . . . . . . 5093 1 894 . 1 1 78 78 PHE CB C 13 38.7 0.20 . 1 . . . . . . . . 5093 1 895 . 1 1 78 78 PHE N N 15 125.4 0.25 . 1 . . . . . . . . 5093 1 896 . 1 1 79 79 ILE H H 1 8.81 0.02 . 1 . . . . . . . . 5093 1 897 . 1 1 79 79 ILE HA H 1 3.31 0.02 . 1 . . . . . . . . 5093 1 898 . 1 1 79 79 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 5093 1 899 . 1 1 79 79 ILE HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5093 1 900 . 1 1 79 79 ILE HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5093 1 901 . 1 1 79 79 ILE HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5093 1 902 . 1 1 79 79 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 5093 1 903 . 1 1 79 79 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 5093 1 904 . 1 1 79 79 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 5093 1 905 . 1 1 79 79 ILE C C 13 177.8 0.20 . 1 . . . . . . . . 5093 1 906 . 1 1 79 79 ILE CA C 13 66.1 0.20 . 1 . . . . . . . . 5093 1 907 . 1 1 79 79 ILE CB C 13 38.1 0.20 . 1 . . . . . . . . 5093 1 908 . 1 1 79 79 ILE CG1 C 13 28.7 0.20 . 1 . . . . . . . . 5093 1 909 . 1 1 79 79 ILE CG2 C 13 17.0 0.20 . 1 . . . . . . . . 5093 1 910 . 1 1 79 79 ILE CD1 C 13 14.2 0.20 . 1 . . . . . . . . 5093 1 911 . 1 1 79 79 ILE N N 15 119.2 0.25 . 1 . . . . . . . . 5093 1 912 . 1 1 80 80 ARG H H 1 8.85 0.02 . 1 . . . . . . . . 5093 1 913 . 1 1 80 80 ARG C C 13 178.2 0.20 . 1 . . . . . . . . 5093 1 914 . 1 1 80 80 ARG CA C 13 60.5 0.20 . 1 . . . . . . . . 5093 1 915 . 1 1 80 80 ARG CB C 13 30.3 0.20 . 1 . . . . . . . . 5093 1 916 . 1 1 80 80 ARG CD C 13 44.0 0.20 . 1 . . . . . . . . 5093 1 917 . 1 1 80 80 ARG HA H 1 3.72 0.02 . 1 . . . . . . . . 5093 1 918 . 1 1 80 80 ARG HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5093 1 919 . 1 1 80 80 ARG HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5093 1 920 . 1 1 80 80 ARG HG2 H 1 1.38 0.02 . 1 . . . . . . . . 5093 1 921 . 1 1 80 80 ARG HG3 H 1 1.38 0.02 . 1 . . . . . . . . 5093 1 922 . 1 1 80 80 ARG HD2 H 1 3.37 0.02 . 2 . . . . . . . . 5093 1 923 . 1 1 80 80 ARG HD3 H 1 3.20 0.02 . 2 . . . . . . . . 5093 1 924 . 1 1 80 80 ARG N N 15 118.2 0.25 . 1 . . . . . . . . 5093 1 925 . 1 1 81 81 SER H H 1 7.84 0.02 . 1 . . . . . . . . 5093 1 926 . 1 1 81 81 SER HA H 1 4.18 0.02 . 1 . . . . . . . . 5093 1 927 . 1 1 81 81 SER HB2 H 1 4.04 0.02 . 1 . . . . . . . . 5093 1 928 . 1 1 81 81 SER HB3 H 1 4.04 0.02 . 1 . . . . . . . . 5093 1 929 . 1 1 81 81 SER C C 13 177.7 0.20 . 1 . . . . . . . . 5093 1 930 . 1 1 81 81 SER CA C 13 61.2 0.20 . 1 . . . . . . . . 5093 1 931 . 1 1 81 81 SER CB C 13 62.4 0.20 . 1 . . . . . . . . 5093 1 932 . 1 1 81 81 SER N N 15 114.5 0.25 . 1 . . . . . . . . 5093 1 933 . 1 1 82 82 LEU H H 1 7.66 0.02 . 1 . . . . . . . . 5093 1 934 . 1 1 82 82 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 5093 1 935 . 1 1 82 82 LEU HB2 H 1 1.24 0.02 . 2 . . . . . . . . 5093 1 936 . 1 1 82 82 LEU HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5093 1 937 . 1 1 82 82 LEU HG H 1 1.26 0.02 . 1 . . . . . . . . 5093 1 938 . 1 1 82 82 LEU HD11 H 1 0.33 0.02 . 2 . . . . . . . . 5093 1 939 . 1 1 82 82 LEU HD12 H 1 0.33 0.02 . 2 . . . . . . . . 5093 1 940 . 1 1 82 82 LEU HD13 H 1 0.33 0.02 . 2 . . . . . . . . 5093 1 941 . 1 1 82 82 LEU HD21 H 1 0.66 0.02 . 2 . . . . . . . . 5093 1 942 . 1 1 82 82 LEU HD22 H 1 0.66 0.02 . 2 . . . . . . . . 5093 1 943 . 1 1 82 82 LEU HD23 H 1 0.66 0.02 . 2 . . . . . . . . 5093 1 944 . 1 1 82 82 LEU C C 13 180.5 0.20 . 1 . . . . . . . . 5093 1 945 . 1 1 82 82 LEU CA C 13 57.4 0.20 . 1 . . . . . . . . 5093 1 946 . 1 1 82 82 LEU CB C 13 41.3 0.20 . 1 . . . . . . . . 5093 1 947 . 1 1 82 82 LEU CG C 13 26.8 0.20 . 1 . . . . . . . . 5093 1 948 . 1 1 82 82 LEU CD2 C 13 22.1 0.20 . 1 . . . . . . . . 5093 1 949 . 1 1 82 82 LEU CD1 C 13 22.1 0.20 . 1 . . . . . . . . 5093 1 950 . 1 1 82 82 LEU N N 15 122.0 0.25 . 1 . . . . . . . . 5093 1 951 . 1 1 83 83 LEU H H 1 8.78 0.02 . 1 . . . . . . . . 5093 1 952 . 1 1 83 83 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 5093 1 953 . 1 1 83 83 LEU HB2 H 1 1.66 0.02 . 1 . . . . . . . . 5093 1 954 . 1 1 83 83 LEU HB3 H 1 1.66 0.02 . 1 . . . . . . . . 5093 1 955 . 1 1 83 83 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 5093 1 956 . 1 1 83 83 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 5093 1 957 . 1 1 83 83 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 5093 1 958 . 1 1 83 83 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 5093 1 959 . 1 1 83 83 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 5093 1 960 . 1 1 83 83 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 5093 1 961 . 1 1 83 83 LEU C C 13 178.8 0.20 . 1 . . . . . . . . 5093 1 962 . 1 1 83 83 LEU CA C 13 57.7 0.20 . 1 . . . . . . . . 5093 1 963 . 1 1 83 83 LEU CB C 13 42.5 0.20 . 1 . . . . . . . . 5093 1 964 . 1 1 83 83 LEU CD1 C 13 21.6 0.20 . 2 . . . . . . . . 5093 1 965 . 1 1 83 83 LEU CD2 C 13 25.5 0.20 . 2 . . . . . . . . 5093 1 966 . 1 1 83 83 LEU N N 15 122.6 0.25 . 1 . . . . . . . . 5093 1 967 . 1 1 84 84 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 5093 1 968 . 1 1 84 84 GLY HA2 H 1 3.66 0.02 . 2 . . . . . . . . 5093 1 969 . 1 1 84 84 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 5093 1 970 . 1 1 84 84 GLY C C 13 175.8 0.20 . 1 . . . . . . . . 5093 1 971 . 1 1 84 84 GLY CA C 13 47.5 0.20 . 1 . . . . . . . . 5093 1 972 . 1 1 84 84 GLY N N 15 104.0 0.25 . 1 . . . . . . . . 5093 1 973 . 1 1 85 85 LYS H H 1 7.16 0.02 . 1 . . . . . . . . 5093 1 974 . 1 1 85 85 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 5093 1 975 . 1 1 85 85 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . 5093 1 976 . 1 1 85 85 LYS HB3 H 1 1.86 0.02 . 1 . . . . . . . . 5093 1 977 . 1 1 85 85 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 5093 1 978 . 1 1 85 85 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 5093 1 979 . 1 1 85 85 LYS HG2 H 1 1.42 0.02 . 1 . . . . . . . . 5093 1 980 . 1 1 85 85 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 5093 1 981 . 1 1 85 85 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5093 1 982 . 1 1 85 85 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5093 1 983 . 1 1 85 85 LYS CA C 13 57.9 0.20 . 1 . . . . . . . . 5093 1 984 . 1 1 85 85 LYS CB C 13 32.5 0.20 . 1 . . . . . . . . 5093 1 985 . 1 1 85 85 LYS CG C 13 24.8 0.20 . 1 . . . . . . . . 5093 1 986 . 1 1 85 85 LYS CE C 13 41.8 0.20 . 1 . . . . . . . . 5093 1 987 . 1 1 85 85 LYS N N 15 118.0 0.25 . 1 . . . . . . . . 5093 1 988 . 1 1 86 86 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 5093 1 989 . 1 1 86 86 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 5093 1 990 . 1 1 86 86 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5093 1 991 . 1 1 86 86 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5093 1 992 . 1 1 86 86 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5093 1 993 . 1 1 86 86 ALA C C 13 179.2 0.20 . 1 . . . . . . . . 5093 1 994 . 1 1 86 86 ALA CA C 13 54.2 0.20 . 1 . . . . . . . . 5093 1 995 . 1 1 86 86 ALA CB C 13 19.1 0.20 . 1 . . . . . . . . 5093 1 996 . 1 1 86 86 ALA N N 15 120.4 0.25 . 1 . . . . . . . . 5093 1 997 . 1 1 87 87 MET H H 1 8.10 0.02 . 1 . . . . . . . . 5093 1 998 . 1 1 87 87 MET HA H 1 4.35 0.02 . 1 . . . . . . . . 5093 1 999 . 1 1 87 87 MET HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5093 1 1000 . 1 1 87 87 MET HB3 H 1 2.22 0.02 . 2 . . . . . . . . 5093 1 1001 . 1 1 87 87 MET HG2 H 1 2.48 0.02 . 1 . . . . . . . . 5093 1 1002 . 1 1 87 87 MET HG3 H 1 2.48 0.02 . 1 . . . . . . . . 5093 1 1003 . 1 1 87 87 MET C C 13 174.7 0.20 . 1 . . . . . . . . 5093 1 1004 . 1 1 87 87 MET CA C 13 55.3 0.20 . 1 . . . . . . . . 5093 1 1005 . 1 1 87 87 MET CB C 13 34.2 0.20 . 1 . . . . . . . . 5093 1 1006 . 1 1 87 87 MET CG C 13 32.5 0.20 . 1 . . . . . . . . 5093 1 1007 . 1 1 87 87 MET N N 15 112.3 0.25 . 1 . . . . . . . . 5093 1 1008 . 1 1 88 88 ARG H H 1 7.82 0.02 . 1 . . . . . . . . 5093 1 1009 . 1 1 88 88 ARG HA H 1 4.02 0.02 . 1 . . . . . . . . 5093 1 1010 . 1 1 88 88 ARG HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5093 1 1011 . 1 1 88 88 ARG HB3 H 1 1.79 0.02 . 1 . . . . . . . . 5093 1 1012 . 1 1 88 88 ARG HG2 H 1 1.51 0.02 . 1 . . . . . . . . 5093 1 1013 . 1 1 88 88 ARG HG3 H 1 1.51 0.02 . 1 . . . . . . . . 5093 1 1014 . 1 1 88 88 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 5093 1 1015 . 1 1 88 88 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 5093 1 1016 . 1 1 88 88 ARG C C 13 175.7 0.20 . 1 . . . . . . . . 5093 1 1017 . 1 1 88 88 ARG CA C 13 56.0 0.20 . 1 . . . . . . . . 5093 1 1018 . 1 1 88 88 ARG CB C 13 27.0 0.20 . 1 . . . . . . . . 5093 1 1019 . 1 1 88 88 ARG CD C 13 43.2 0.20 . 1 . . . . . . . . 5093 1 1020 . 1 1 88 88 ARG N N 15 117.6 0.25 . 1 . . . . . . . . 5093 1 1021 . 1 1 89 89 LEU H H 1 7.76 0.02 . 1 . . . . . . . . 5093 1 1022 . 1 1 89 89 LEU HA H 1 4.43 0.02 . 1 . . . . . . . . 5093 1 1023 . 1 1 89 89 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 5093 1 1024 . 1 1 89 89 LEU HB3 H 1 1.36 0.02 . 2 . . . . . . . . 5093 1 1025 . 1 1 89 89 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1026 . 1 1 89 89 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1027 . 1 1 89 89 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1028 . 1 1 89 89 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1029 . 1 1 89 89 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1030 . 1 1 89 89 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1031 . 1 1 89 89 LEU C C 13 176.9 0.20 . 1 . . . . . . . . 5093 1 1032 . 1 1 89 89 LEU CA C 13 53.3 0.20 . 1 . . . . . . . . 5093 1 1033 . 1 1 89 89 LEU CB C 13 44.2 0.20 . 1 . . . . . . . . 5093 1 1034 . 1 1 89 89 LEU CD1 C 13 25.6 0.20 . 2 . . . . . . . . 5093 1 1035 . 1 1 89 89 LEU CD2 C 13 22.6 0.20 . 2 . . . . . . . . 5093 1 1036 . 1 1 89 89 LEU N N 15 119.1 0.25 . 1 . . . . . . . . 5093 1 1037 . 1 1 90 90 ARG H H 1 8.52 0.02 . 1 . . . . . . . . 5093 1 1038 . 1 1 90 90 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 5093 1 1039 . 1 1 90 90 ARG HG2 H 1 1.55 0.02 . 1 . . . . . . . . 5093 1 1040 . 1 1 90 90 ARG HG3 H 1 1.55 0.02 . 1 . . . . . . . . 5093 1 1041 . 1 1 90 90 ARG HB2 H 1 1.74 0.02 . 1 . . . . . . . . 5093 1 1042 . 1 1 90 90 ARG HB3 H 1 1.74 0.02 . 1 . . . . . . . . 5093 1 1043 . 1 1 90 90 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 5093 1 1044 . 1 1 90 90 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 5093 1 1045 . 1 1 90 90 ARG C C 13 176.6 0.20 . 1 . . . . . . . . 5093 1 1046 . 1 1 90 90 ARG CA C 13 57.9 0.20 . 1 . . . . . . . . 5093 1 1047 . 1 1 90 90 ARG CB C 13 30.3 0.20 . 1 . . . . . . . . 5093 1 1048 . 1 1 90 90 ARG CD C 13 43.1 0.20 . 1 . . . . . . . . 5093 1 1049 . 1 1 90 90 ARG N N 15 122.2 0.25 . 1 . . . . . . . . 5093 1 1050 . 1 1 91 91 ILE H H 1 7.57 0.02 . 1 . . . . . . . . 5093 1 1051 . 1 1 91 91 ILE HA H 1 4.12 0.02 . 1 . . . . . . . . 5093 1 1052 . 1 1 91 91 ILE HB H 1 1.62 0.02 . 1 . . . . . . . . 5093 1 1053 . 1 1 91 91 ILE HG12 H 1 1.30 0.02 . 2 . . . . . . . . 5093 1 1054 . 1 1 91 91 ILE HG13 H 1 0.98 0.02 . 2 . . . . . . . . 5093 1 1055 . 1 1 91 91 ILE HG21 H 1 0.63 0.02 . 1 . . . . . . . . 5093 1 1056 . 1 1 91 91 ILE HG22 H 1 0.63 0.02 . 1 . . . . . . . . 5093 1 1057 . 1 1 91 91 ILE HG23 H 1 0.63 0.02 . 1 . . . . . . . . 5093 1 1058 . 1 1 91 91 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 5093 1 1059 . 1 1 91 91 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 5093 1 1060 . 1 1 91 91 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 5093 1 1061 . 1 1 91 91 ILE C C 13 174.5 0.20 . 1 . . . . . . . . 5093 1 1062 . 1 1 91 91 ILE CA C 13 59.1 0.20 . 1 . . . . . . . . 5093 1 1063 . 1 1 91 91 ILE CB C 13 39.3 0.20 . 1 . . . . . . . . 5093 1 1064 . 1 1 91 91 ILE CG2 C 13 16.7 0.20 . 2 . . . . . . . . 5093 1 1065 . 1 1 91 91 ILE CG1 C 13 26.7 0.20 . 2 . . . . . . . . 5093 1 1066 . 1 1 91 91 ILE CD1 C 13 12.7 0.20 . 1 . . . . . . . . 5093 1 1067 . 1 1 91 91 ILE N N 15 117.0 0.25 . 1 . . . . . . . . 5093 1 1068 . 1 1 92 92 VAL H H 1 8.71 0.02 . 1 . . . . . . . . 5093 1 1069 . 1 1 92 92 VAL HA H 1 4.23 0.02 . 1 . . . . . . . . 5093 1 1070 . 1 1 92 92 VAL HB H 1 1.88 0.02 . 1 . . . . . . . . 5093 1 1071 . 1 1 92 92 VAL HG11 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1072 . 1 1 92 92 VAL HG12 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1073 . 1 1 92 92 VAL HG13 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1074 . 1 1 92 92 VAL HG21 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1075 . 1 1 92 92 VAL HG22 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1076 . 1 1 92 92 VAL HG23 H 1 0.86 0.02 . 1 . . . . . . . . 5093 1 1077 . 1 1 92 92 VAL CA C 13 59.0 0.20 . 1 . . . . . . . . 5093 1 1078 . 1 1 92 92 VAL CB C 13 32.4 0.20 . 1 . . . . . . . . 5093 1 1079 . 1 1 92 92 VAL CG1 C 13 21.7 0.20 . 1 . . . . . . . . 5093 1 1080 . 1 1 92 92 VAL CG2 C 13 21.7 0.20 . 1 . . . . . . . . 5093 1 1081 . 1 1 92 92 VAL N N 15 127.7 0.25 . 1 . . . . . . . . 5093 1 1082 . 1 1 93 93 PRO HA H 1 4.09 0.02 . 1 . . . . . . . . 5093 1 1083 . 1 1 93 93 PRO HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5093 1 1084 . 1 1 93 93 PRO HB3 H 1 1.41 0.02 . 2 . . . . . . . . 5093 1 1085 . 1 1 93 93 PRO HG2 H 1 1.80 0.02 . 2 . . . . . . . . 5093 1 1086 . 1 1 93 93 PRO HG3 H 1 1.59 0.02 . 2 . . . . . . . . 5093 1 1087 . 1 1 93 93 PRO HD2 H 1 3.37 0.02 . 2 . . . . . . . . 5093 1 1088 . 1 1 93 93 PRO HD3 H 1 3.86 0.02 . 2 . . . . . . . . 5093 1 1089 . 1 1 93 93 PRO C C 13 176.2 0.20 . 1 . . . . . . . . 5093 1 1090 . 1 1 93 93 PRO CA C 13 62.6 0.20 . 1 . . . . . . . . 5093 1 1091 . 1 1 93 93 PRO CB C 13 31.3 0.20 . 1 . . . . . . . . 5093 1 1092 . 1 1 93 93 PRO CG C 13 26.6 0.20 . 1 . . . . . . . . 5093 1 1093 . 1 1 93 93 PRO CD C 13 50.6 0.20 . 1 . . . . . . . . 5093 1 1094 . 1 1 94 94 GLU H H 1 7.63 0.02 . 1 . . . . . . . . 5093 1 1095 . 1 1 94 94 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 5093 1 1096 . 1 1 94 94 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5093 1 1097 . 1 1 94 94 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5093 1 1098 . 1 1 94 94 GLU HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5093 1 1099 . 1 1 94 94 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5093 1 1100 . 1 1 94 94 GLU C C 13 176.0 0.20 . 1 . . . . . . . . 5093 1 1101 . 1 1 94 94 GLU CA C 13 56.7 0.20 . 1 . . . . . . . . 5093 1 1102 . 1 1 94 94 GLU CB C 13 30.0 0.20 . 1 . . . . . . . . 5093 1 1103 . 1 1 94 94 GLU CG C 13 35.5 0.20 . 1 . . . . . . . . 5093 1 1104 . 1 1 94 94 GLU N N 15 119.3 0.25 . 1 . . . . . . . . 5093 1 1105 . 1 1 95 95 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 5093 1 1106 . 1 1 95 95 LEU HA H 1 4.97 0.02 . 1 . . . . . . . . 5093 1 1107 . 1 1 95 95 LEU HB2 H 1 1.68 0.02 . 1 . . . . . . . . 5093 1 1108 . 1 1 95 95 LEU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 5093 1 1109 . 1 1 95 95 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 5093 1 1110 . 1 1 95 95 LEU HD11 H 1 0.43 0.02 . 1 . . . . . . . . 5093 1 1111 . 1 1 95 95 LEU HD12 H 1 0.43 0.02 . 1 . . . . . . . . 5093 1 1112 . 1 1 95 95 LEU HD13 H 1 0.43 0.02 . 1 . . . . . . . . 5093 1 1113 . 1 1 95 95 LEU HD21 H 1 0.43 0.02 . 1 . . . . . . . . 5093 1 1114 . 1 1 95 95 LEU HD22 H 1 0.43 0.02 . 1 . . . . . . . . 5093 1 1115 . 1 1 95 95 LEU HD23 H 1 0.43 0.02 . 1 . . . . . . . . 5093 1 1116 . 1 1 95 95 LEU C C 13 177.7 0.20 . 1 . . . . . . . . 5093 1 1117 . 1 1 95 95 LEU CA C 13 53.6 0.20 . 1 . . . . . . . . 5093 1 1118 . 1 1 95 95 LEU CB C 13 44.2 0.20 . 1 . . . . . . . . 5093 1 1119 . 1 1 95 95 LEU CG C 13 26.6 0.20 . 1 . . . . . . . . 5093 1 1120 . 1 1 95 95 LEU CD1 C 13 23.3 0.20 . 1 . . . . . . . . 5093 1 1121 . 1 1 95 95 LEU CD2 C 13 23.3 0.20 . 1 . . . . . . . . 5093 1 1122 . 1 1 95 95 LEU N N 15 122.5 0.25 . 1 . . . . . . . . 5093 1 1123 . 1 1 96 96 THR H H 1 8.06 0.02 . 1 . . . . . . . . 5093 1 1124 . 1 1 96 96 THR HA H 1 4.68 0.02 . 1 . . . . . . . . 5093 1 1125 . 1 1 96 96 THR HB H 1 3.83 0.02 . 1 . . . . . . . . 5093 1 1126 . 1 1 96 96 THR HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5093 1 1127 . 1 1 96 96 THR HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5093 1 1128 . 1 1 96 96 THR HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5093 1 1129 . 1 1 96 96 THR C C 13 172.6 0.20 . 1 . . . . . . . . 5093 1 1130 . 1 1 96 96 THR CA C 13 61.2 0.20 . 1 . . . . . . . . 5093 1 1131 . 1 1 96 96 THR CB C 13 70.6 0.20 . 1 . . . . . . . . 5093 1 1132 . 1 1 96 96 THR CG2 C 13 22.5 0.20 . 1 . . . . . . . . 5093 1 1133 . 1 1 96 96 THR N N 15 117.3 0.25 . 1 . . . . . . . . 5093 1 1134 . 1 1 97 97 PHE H H 1 8.46 0.02 . 1 . . . . . . . . 5093 1 1135 . 1 1 97 97 PHE HA H 1 5.15 0.02 . 1 . . . . . . . . 5093 1 1136 . 1 1 97 97 PHE HB2 H 1 2.69 0.02 . 1 . . . . . . . . 5093 1 1137 . 1 1 97 97 PHE HB3 H 1 2.69 0.02 . 1 . . . . . . . . 5093 1 1138 . 1 1 97 97 PHE HD1 H 1 6.84 0.02 . 1 . . . . . . . . 5093 1 1139 . 1 1 97 97 PHE HD2 H 1 6.84 0.02 . 1 . . . . . . . . 5093 1 1140 . 1 1 97 97 PHE HE1 H 1 7.09 0.02 . 1 . . . . . . . . 5093 1 1141 . 1 1 97 97 PHE HE2 H 1 7.09 0.02 . 1 . . . . . . . . 5093 1 1142 . 1 1 97 97 PHE C C 13 174.4 0.20 . 1 . . . . . . . . 5093 1 1143 . 1 1 97 97 PHE CA C 13 57.7 0.20 . 1 . . . . . . . . 5093 1 1144 . 1 1 97 97 PHE CB C 13 41.2 0.20 . 1 . . . . . . . . 5093 1 1145 . 1 1 97 97 PHE CD1 C 13 131.8 0.20 . 1 . . . . . . . . 5093 1 1146 . 1 1 97 97 PHE CD2 C 13 131.8 0.20 . 1 . . . . . . . . 5093 1 1147 . 1 1 97 97 PHE CE1 C 13 133.5 0.20 . 1 . . . . . . . . 5093 1 1148 . 1 1 97 97 PHE CE2 C 13 133.5 0.20 . 1 . . . . . . . . 5093 1 1149 . 1 1 97 97 PHE N N 15 123.4 0.25 . 1 . . . . . . . . 5093 1 1150 . 1 1 98 98 PHE H H 1 9.09 0.02 . 1 . . . . . . . . 5093 1 1151 . 1 1 98 98 PHE HA H 1 4.60 0.02 . 1 . . . . . . . . 5093 1 1152 . 1 1 98 98 PHE HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5093 1 1153 . 1 1 98 98 PHE HB3 H 1 2.14 0.02 . 2 . . . . . . . . 5093 1 1154 . 1 1 98 98 PHE HD1 H 1 6.91 0.02 . 1 . . . . . . . . 5093 1 1155 . 1 1 98 98 PHE HD2 H 1 6.91 0.02 . 1 . . . . . . . . 5093 1 1156 . 1 1 98 98 PHE HE1 H 1 7.16 0.02 . 1 . . . . . . . . 5093 1 1157 . 1 1 98 98 PHE HE2 H 1 7.16 0.02 . 1 . . . . . . . . 5093 1 1158 . 1 1 98 98 PHE CD2 C 13 131.6 0.20 . 1 . . . . . . . . 5093 1 1159 . 1 1 98 98 PHE CD1 C 13 131.6 0.20 . 1 . . . . . . . . 5093 1 1160 . 1 1 98 98 PHE CE1 C 13 131.6 0.20 . 1 . . . . . . . . 5093 1 1161 . 1 1 98 98 PHE CE2 C 13 131.6 0.20 . 1 . . . . . . . . 5093 1 1162 . 1 1 98 98 PHE C C 13 174.3 0.20 . 1 . . . . . . . . 5093 1 1163 . 1 1 98 98 PHE CA C 13 56.3 0.20 . 1 . . . . . . . . 5093 1 1164 . 1 1 98 98 PHE CB C 13 43.9 0.20 . 1 . . . . . . . . 5093 1 1165 . 1 1 98 98 PHE N N 15 118.8 0.25 . 1 . . . . . . . . 5093 1 1166 . 1 1 99 99 TYR H H 1 9.05 0.02 . 1 . . . . . . . . 5093 1 1167 . 1 1 99 99 TYR HA H 1 4.83 0.02 . 1 . . . . . . . . 5093 1 1168 . 1 1 99 99 TYR HB2 H 1 2.92 0.02 . 1 . . . . . . . . 5093 1 1169 . 1 1 99 99 TYR HB3 H 1 2.92 0.02 . 1 . . . . . . . . 5093 1 1170 . 1 1 99 99 TYR C C 13 175.5 0.20 . 1 . . . . . . . . 5093 1 1171 . 1 1 99 99 TYR CA C 13 57.5 0.20 . 1 . . . . . . . . 5093 1 1172 . 1 1 99 99 TYR CB C 13 38.9 0.20 . 1 . . . . . . . . 5093 1 1173 . 1 1 99 99 TYR N N 15 122.1 0.25 . 1 . . . . . . . . 5093 1 1174 . 1 1 99 99 TYR CD1 C 13 133.0 0.20 . 1 . . . . . . . . 5093 1 1175 . 1 1 99 99 TYR CD2 C 13 133.0 0.20 . 1 . . . . . . . . 5093 1 1176 . 1 1 99 99 TYR CE1 C 13 117.9 0.20 . 1 . . . . . . . . 5093 1 1177 . 1 1 99 99 TYR CE2 C 13 117.9 0.20 . 1 . . . . . . . . 5093 1 1178 . 1 1 99 99 TYR HD1 H 1 7.00 0.02 . 1 . . . . . . . . 5093 1 1179 . 1 1 99 99 TYR HD2 H 1 7.00 0.02 . 1 . . . . . . . . 5093 1 1180 . 1 1 99 99 TYR HE1 H 1 6.75 0.02 . 1 . . . . . . . . 5093 1 1181 . 1 1 99 99 TYR HE2 H 1 6.75 0.02 . 1 . . . . . . . . 5093 1 1182 . 1 1 100 100 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 5093 1 1183 . 1 1 100 100 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 5093 1 1184 . 1 1 100 100 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5093 1 1185 . 1 1 100 100 ASP HB3 H 1 2.25 0.02 . 2 . . . . . . . . 5093 1 1186 . 1 1 100 100 ASP CA C 13 53.0 0.20 . 1 . . . . . . . . 5093 1 1187 . 1 1 100 100 ASP CB C 13 40.4 0.20 . 1 . . . . . . . . 5093 1 1188 . 1 1 100 100 ASP N N 15 127.4 0.25 . 1 . . . . . . . . 5093 1 1189 . 1 1 101 101 ASN H H 1 8.03 0.02 . 1 . . . . . . . . 5093 1 1190 . 1 1 101 101 ASN HA H 1 4.59 0.02 . 1 . . . . . . . . 5093 1 1191 . 1 1 101 101 ASN HB2 H 1 2.74 0.02 . 2 . . . . . . . . 5093 1 1192 . 1 1 101 101 ASN HB3 H 1 2.85 0.02 . 2 . . . . . . . . 5093 1 1193 . 1 1 101 101 ASN HD21 H 1 7.63 0.02 . 2 . . . . . . . . 5093 1 1194 . 1 1 101 101 ASN HD22 H 1 6.93 0.02 . 2 . . . . . . . . 5093 1 1195 . 1 1 101 101 ASN C C 13 176.0 0.20 . 1 . . . . . . . . 5093 1 1196 . 1 1 101 101 ASN CA C 13 52.5 0.20 . 1 . . . . . . . . 5093 1 1197 . 1 1 101 101 ASN CB C 13 38.4 0.20 . 1 . . . . . . . . 5093 1 1198 . 1 1 101 101 ASN N N 15 122.1 0.25 . 1 . . . . . . . . 5093 1 1199 . 1 1 101 101 ASN ND2 N 15 111.3 0.25 . 1 . . . . . . . . 5093 1 1200 . 1 1 102 102 SER H H 1 8.29 0.02 . 1 . . . . . . . . 5093 1 1201 . 1 1 102 102 SER HA H 1 4.15 0.02 . 1 . . . . . . . . 5093 1 1202 . 1 1 102 102 SER HB2 H 1 3.78 0.02 . 1 . . . . . . . . 5093 1 1203 . 1 1 102 102 SER HB3 H 1 3.78 0.02 . 1 . . . . . . . . 5093 1 1204 . 1 1 102 102 SER C C 13 174.9 0.20 . 1 . . . . . . . . 5093 1 1205 . 1 1 102 102 SER CA C 13 59.8 0.20 . 1 . . . . . . . . 5093 1 1206 . 1 1 102 102 SER CB C 13 63.2 0.20 . 1 . . . . . . . . 5093 1 1207 . 1 1 102 102 SER N N 15 115.4 0.25 . 1 . . . . . . . . 5093 1 1208 . 1 1 103 103 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 5093 1 1209 . 1 1 103 103 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 5093 1 1210 . 1 1 103 103 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5093 1 1211 . 1 1 103 103 LEU HB3 H 1 1.53 0.02 . 2 . . . . . . . . 5093 1 1212 . 1 1 103 103 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . 5093 1 1213 . 1 1 103 103 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . 5093 1 1214 . 1 1 103 103 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . 5093 1 1215 . 1 1 103 103 LEU HD21 H 1 0.79 0.02 . 1 . . . . . . . . 5093 1 1216 . 1 1 103 103 LEU HD22 H 1 0.79 0.02 . 1 . . . . . . . . 5093 1 1217 . 1 1 103 103 LEU HD23 H 1 0.79 0.02 . 1 . . . . . . . . 5093 1 1218 . 1 1 103 103 LEU C C 13 177.7 0.20 . 1 . . . . . . . . 5093 1 1219 . 1 1 103 103 LEU CA C 13 55.2 0.20 . 1 . . . . . . . . 5093 1 1220 . 1 1 103 103 LEU CB C 13 41.7 0.20 . 1 . . . . . . . . 5093 1 1221 . 1 1 103 103 LEU CG C 13 27.0 0.20 . 1 . . . . . . . . 5093 1 1222 . 1 1 103 103 LEU CD1 C 13 23.5 0.20 . 1 . . . . . . . . 5093 1 1223 . 1 1 103 103 LEU CD2 C 13 23.5 0.20 . 1 . . . . . . . . 5093 1 1224 . 1 1 103 103 LEU N N 15 122.3 0.25 . 1 . . . . . . . . 5093 1 1225 . 1 1 104 104 VAL H H 1 7.84 0.02 . 1 . . . . . . . . 5093 1 1226 . 1 1 104 104 VAL HA H 1 4.00 0.02 . 1 . . . . . . . . 5093 1 1227 . 1 1 104 104 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 5093 1 1228 . 1 1 104 104 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 1229 . 1 1 104 104 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 1230 . 1 1 104 104 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 1231 . 1 1 104 104 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 1232 . 1 1 104 104 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 1233 . 1 1 104 104 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5093 1 1234 . 1 1 104 104 VAL C C 13 176.5 0.20 . 1 . . . . . . . . 5093 1 1235 . 1 1 104 104 VAL CA C 13 62.3 0.20 . 1 . . . . . . . . 5093 1 1236 . 1 1 104 104 VAL CB C 13 32.5 0.20 . 1 . . . . . . . . 5093 1 1237 . 1 1 104 104 VAL CG1 C 13 20.8 0.20 . 1 . . . . . . . . 5093 1 1238 . 1 1 104 104 VAL CG2 C 13 20.8 0.20 . 1 . . . . . . . . 5093 1 1239 . 1 1 104 104 VAL N N 15 119.5 0.25 . 1 . . . . . . . . 5093 1 1240 . 1 1 105 105 GLU H H 1 8.35 0.02 . 1 . . . . . . . . 5093 1 1241 . 1 1 105 105 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5093 1 1242 . 1 1 105 105 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 5093 1 1243 . 1 1 105 105 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 5093 1 1244 . 1 1 105 105 GLU HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5093 1 1245 . 1 1 105 105 GLU HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5093 1 1246 . 1 1 105 105 GLU C C 13 176.9 0.20 . 1 . . . . . . . . 5093 1 1247 . 1 1 105 105 GLU CA C 13 56.4 0.20 . 1 . . . . . . . . 5093 1 1248 . 1 1 105 105 GLU CB C 13 29.7 0.20 . 1 . . . . . . . . 5093 1 1249 . 1 1 105 105 GLU CG C 13 34.9 0.20 . 1 . . . . . . . . 5093 1 1250 . 1 1 105 105 GLU N N 15 123.2 0.25 . 1 . . . . . . . . 5093 1 1251 . 1 1 106 106 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 5093 1 1252 . 1 1 106 106 GLY HA2 H 1 3.91 0.02 . 1 . . . . . . . . 5093 1 1253 . 1 1 106 106 GLY HA3 H 1 3.91 0.02 . 1 . . . . . . . . 5093 1 1254 . 1 1 106 106 GLY C C 13 173.9 0.20 . 1 . . . . . . . . 5093 1 1255 . 1 1 106 106 GLY CA C 13 45.03 0.20 . 1 . . . . . . . . 5093 1 1256 . 1 1 106 106 GLY N N 15 109.0 0.25 . 1 . . . . . . . . 5093 1 1257 . 1 1 107 107 MET H H 1 8.05 0.02 . 1 . . . . . . . . 5093 1 1258 . 1 1 107 107 MET HA H 1 4.43 0.02 . 1 . . . . . . . . 5093 1 1259 . 1 1 107 107 MET HB2 H 1 2.47 0.02 . 2 . . . . . . . . 5093 1 1260 . 1 1 107 107 MET HB3 H 1 2.54 0.02 . 2 . . . . . . . . 5093 1 1261 . 1 1 107 107 MET C C 13 175.4 0.20 . 1 . . . . . . . . 5093 1 1262 . 1 1 107 107 MET CA C 13 55.4 0.20 . 1 . . . . . . . . 5093 1 1263 . 1 1 107 107 MET CB C 13 32.7 0.20 . 1 . . . . . . . . 5093 1 1264 . 1 1 107 107 MET N N 15 119.2 0.25 . 1 . . . . . . . . 5093 1 1265 . 1 1 108 108 ARG H H 1 7.91 0.02 . 1 . . . . . . . . 5093 1 1266 . 1 1 108 108 ARG HA H 1 4.13 0.02 . 1 . . . . . . . . 5093 1 1267 . 1 1 108 108 ARG HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5093 1 1268 . 1 1 108 108 ARG HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5093 1 1269 . 1 1 108 108 ARG HG2 H 1 1.52 0.02 . 1 . . . . . . . . 5093 1 1270 . 1 1 108 108 ARG HG3 H 1 1.52 0.02 . 1 . . . . . . . . 5093 1 1271 . 1 1 108 108 ARG HD2 H 1 3.07 0.02 . 1 . . . . . . . . 5093 1 1272 . 1 1 108 108 ARG HD3 H 1 3.07 0.02 . 1 . . . . . . . . 5093 1 1273 . 1 1 108 108 ARG CA C 13 57.2 0.20 . 1 . . . . . . . . 5093 1 1274 . 1 1 108 108 ARG CB C 13 31.3 0.20 . 1 . . . . . . . . 5093 1 1275 . 1 1 108 108 ARG CG C 13 26.8 0.20 . 1 . . . . . . . . 5093 1 1276 . 1 1 108 108 ARG CD C 13 43.1 0.20 . 1 . . . . . . . . 5093 1 1277 . 1 1 108 108 ARG N N 15 126.5 0.25 . 1 . . . . . . . . 5093 1 stop_ save_