data_5541 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5541 _Entry.Title ; 1H and 15N Chemical Shift Assignments of Lm-FABP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-09-26 _Entry.Accession_date 2002-09-26 _Entry.Last_release_date . _Entry.Original_release_date . _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 Christian Luecke . . . 5541 2 Nadeem Kizilbash . . . 5541 3 Herman 'van Moerkerk' . T.B. . 5541 4 Jacques Veerkamp . H. . 5541 5 James Hamilton . A. . 5541 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5541 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 962 5541 '15N chemical shifts' 126 5541 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 . . 2006-01-04 . update author 'update the chemical shifts' 5541 2 . . 2003-04-11 . original author 'original release' 5541 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5541 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR assignment and structural characterization of the fatty acid binding protein from the flight muscle of Locusta migratoria ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _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 355 _Citation.Page_last 356 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christian Luecke . . . 5541 1 2 Nadeem Kizilbash . . . 5541 1 3 Herman 'van Moerkerk' . T.B. . 5541 1 4 Jacques Veerkamp . H. . 5541 1 5 James Hamilton . A. . 5541 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'lipid binding protein' 5541 1 'fatty acid carrier' 5541 1 'holo form' 5541 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5541 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8174560 _Citation.Full_citation ; R.G.H.J. Maatman, M. Degano, H.T.B. Van Moerkerk, W.J. Van Marrewijk, D.J. Van der Horst, J.C. Sacchettini, and J.H. Veerkamp (1994) Primary structure and binding characteristics of locust and human muscle fatty-acid-binding proteins. Eur. J. Biochem. 221, 801-810. ; _Citation.Title 'Primary structure and binding characteristics of locust and human muscle fatty-acid-binding proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full 'European journal of biochemistry / FEBS' _Citation.Journal_volume 221 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-2956 _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 801 _Citation.Page_last 810 _Citation.Year 1994 _Citation.Details ; The conservation between muscle fatty-acid-binding proteins (M-FABP) of Locusta migratoria flight muscle and human skeletal muscle was investigated. The locust M-FABP cDNA (632 bp) was isolated by 5' and 3' rapid amplification of cDNA ends. The identities of the locust and human M-FABP on the cDNA and protein levels were 54% and 42%, respectively. The predicted amino acid sequence of locust M-FABP indicated a molecular mass of 14935 Da and isoelectric point 6.1. The locust M-FABP was expressed in Escherichia coli, purified by (NH4)2SO4 precipitation, anion-exchange and gel-filtration chromatographies and compared with the recombinant human M-FABP with respect to immunological and binding properties. In spite of the high sequence similarity, the proteins did not show immunological cross-reactivity. The binding parameters of locust M-FABP were analyzed with radiolabeled oleic acid by the Lipidex assay and titration microcalorimetry. Both methods revealed a Kd for oleic acid of 0.5 microM and a binding stoichiometry of 1 mol fatty acid/mol FABP. The delta H, delta G and delta S for oleic acid binding were -146 kJ.mol-1 and -36 J.mol-1 and -369 J.mol-1.K-1 respectively. All the information obtained from binding, fluorescence and displacement studies indicated that locust M-FABP has binding characteristics similar to human M-FABP. Finally the recombinant locust M-FABP was crystallized with and without oleic acid. All crystals were trigonal in the P3(1)21 space group. The unit cell dimensions were a = b = 5.89 nm and c = 14.42 nm. ; 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 'R. G.' Maatman R. G. . 5541 2 2 M. Degano M. . . 5541 2 3 'H. T.' 'Van Moerkerk' H. T. . 5541 2 4 'W. J.' 'Van Marrewijk' W. J. . 5541 2 5 'D. J.' 'Van der Horst' D. J. . 5541 2 6 'J. C.' Sacchettini J. C. . 5541 2 7 'J. H.' Veerkamp J. H. . 5541 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Lm-FABP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Lm-FABP _Assembly.Entry_ID 5541 _Assembly.ID 1 _Assembly.Name Lm-FABP _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 5541 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 Lm-FABP 1 $Lm-FABP . . . native . . . . . 5541 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Lm-FABP system 5541 1 Lm-FABP abbreviation 5541 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'fatty acid carrier' 5541 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lm-FABP _Entity.Sf_category entity _Entity.Sf_framecode Lm-FABP _Entity.Entry_ID 5541 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fatty acid binding protein' _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 ; MVKEFAGIKYKLDSQTNFEE YMKAIGVGAIERKAGLALSP VIELEVLDGDKFKLTSKTAI KNTEFTFKLGEEFDEDTLDG RKVKSIITQDGPNKLVHEQK GDHPTIIIREFSKEQCVITI KLGDLVATRIYKAQ ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The sequence is identical to Swiss-Prot entry P41509, except for the N-terminal methionine (Met0) present in the recombinantly-expressed protein. ; _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 6931 . Lm-FABP . . . . . 100.00 134 100.00 100.00 3.33e-90 . . . . 5541 1 2 no PDB 1FTP . "Three-Dimensional Structure Of The Muscle Fatty-Acid- Binding Protein Isolated From The Desert Locust, Schistocerca Gregaria" . . . . . 99.25 133 97.74 99.25 1.51e-87 . . . . 5541 1 3 no PDB 2FLJ . "Fatty Acid Binding Protein From Locust Flight Muscle In Complex With Oleate" . . . . . 100.00 134 100.00 100.00 3.33e-90 . . . . 5541 1 4 no GB AAB30739 . "M-FABP [Locusta migratoria]" . . . . . 100.00 134 100.00 100.00 3.33e-90 . . . . 5541 1 5 no GB AAK20174 . "muscle fatty acid binding protein [Schistocerca gregaria]" . . . . . 100.00 134 97.76 99.25 1.47e-88 . . . . 5541 1 6 no SP P41496 . "RecName: Full=Fatty acid-binding protein, muscle; AltName: Full=M-FABP [Schistocerca gregaria]" . . . . . 100.00 134 97.76 99.25 1.47e-88 . . . . 5541 1 7 no SP P41509 . "RecName: Full=Fatty acid-binding protein, muscle; AltName: Full=M-FABP [Locusta migratoria]" . . . . . 100.00 134 100.00 100.00 3.33e-90 . . . . 5541 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fatty acid binding protein' common 5541 1 Lm-FABP abbreviation 5541 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 0 MET . 5541 1 2 1 VAL . 5541 1 3 2 LYS . 5541 1 4 3 GLU . 5541 1 5 4 PHE . 5541 1 6 5 ALA . 5541 1 7 6 GLY . 5541 1 8 7 ILE . 5541 1 9 8 LYS . 5541 1 10 9 TYR . 5541 1 11 10 LYS . 5541 1 12 11 LEU . 5541 1 13 12 ASP . 5541 1 14 13 SER . 5541 1 15 14 GLN . 5541 1 16 15 THR . 5541 1 17 16 ASN . 5541 1 18 17 PHE . 5541 1 19 18 GLU . 5541 1 20 19 GLU . 5541 1 21 20 TYR . 5541 1 22 21 MET . 5541 1 23 22 LYS . 5541 1 24 23 ALA . 5541 1 25 24 ILE . 5541 1 26 25 GLY . 5541 1 27 26 VAL . 5541 1 28 27 GLY . 5541 1 29 28 ALA . 5541 1 30 29 ILE . 5541 1 31 30 GLU . 5541 1 32 31 ARG . 5541 1 33 32 LYS . 5541 1 34 33 ALA . 5541 1 35 34 GLY . 5541 1 36 35 LEU . 5541 1 37 36 ALA . 5541 1 38 37 LEU . 5541 1 39 38 SER . 5541 1 40 39 PRO . 5541 1 41 40 VAL . 5541 1 42 41 ILE . 5541 1 43 42 GLU . 5541 1 44 43 LEU . 5541 1 45 44 GLU . 5541 1 46 45 VAL . 5541 1 47 46 LEU . 5541 1 48 47 ASP . 5541 1 49 48 GLY . 5541 1 50 49 ASP . 5541 1 51 50 LYS . 5541 1 52 51 PHE . 5541 1 53 52 LYS . 5541 1 54 53 LEU . 5541 1 55 54 THR . 5541 1 56 55 SER . 5541 1 57 56 LYS . 5541 1 58 57 THR . 5541 1 59 58 ALA . 5541 1 60 59 ILE . 5541 1 61 60 LYS . 5541 1 62 61 ASN . 5541 1 63 62 THR . 5541 1 64 63 GLU . 5541 1 65 64 PHE . 5541 1 66 65 THR . 5541 1 67 66 PHE . 5541 1 68 67 LYS . 5541 1 69 68 LEU . 5541 1 70 69 GLY . 5541 1 71 70 GLU . 5541 1 72 71 GLU . 5541 1 73 72 PHE . 5541 1 74 73 ASP . 5541 1 75 74 GLU . 5541 1 76 75 ASP . 5541 1 77 76 THR . 5541 1 78 77 LEU . 5541 1 79 78 ASP . 5541 1 80 79 GLY . 5541 1 81 80 ARG . 5541 1 82 81 LYS . 5541 1 83 82 VAL . 5541 1 84 83 LYS . 5541 1 85 84 SER . 5541 1 86 85 ILE . 5541 1 87 86 ILE . 5541 1 88 87 THR . 5541 1 89 88 GLN . 5541 1 90 89 ASP . 5541 1 91 90 GLY . 5541 1 92 91 PRO . 5541 1 93 92 ASN . 5541 1 94 93 LYS . 5541 1 95 94 LEU . 5541 1 96 95 VAL . 5541 1 97 96 HIS . 5541 1 98 97 GLU . 5541 1 99 98 GLN . 5541 1 100 99 LYS . 5541 1 101 100 GLY . 5541 1 102 101 ASP . 5541 1 103 102 HIS . 5541 1 104 103 PRO . 5541 1 105 104 THR . 5541 1 106 105 ILE . 5541 1 107 106 ILE . 5541 1 108 107 ILE . 5541 1 109 108 ARG . 5541 1 110 109 GLU . 5541 1 111 110 PHE . 5541 1 112 111 SER . 5541 1 113 112 LYS . 5541 1 114 113 GLU . 5541 1 115 114 GLN . 5541 1 116 115 CYS . 5541 1 117 116 VAL . 5541 1 118 117 ILE . 5541 1 119 118 THR . 5541 1 120 119 ILE . 5541 1 121 120 LYS . 5541 1 122 121 LEU . 5541 1 123 122 GLY . 5541 1 124 123 ASP . 5541 1 125 124 LEU . 5541 1 126 125 VAL . 5541 1 127 126 ALA . 5541 1 128 127 THR . 5541 1 129 128 ARG . 5541 1 130 129 ILE . 5541 1 131 130 TYR . 5541 1 132 131 LYS . 5541 1 133 132 ALA . 5541 1 134 133 GLN . 5541 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 5541 1 . VAL 2 2 5541 1 . LYS 3 3 5541 1 . GLU 4 4 5541 1 . PHE 5 5 5541 1 . ALA 6 6 5541 1 . GLY 7 7 5541 1 . ILE 8 8 5541 1 . LYS 9 9 5541 1 . TYR 10 10 5541 1 . LYS 11 11 5541 1 . LEU 12 12 5541 1 . ASP 13 13 5541 1 . SER 14 14 5541 1 . GLN 15 15 5541 1 . THR 16 16 5541 1 . ASN 17 17 5541 1 . PHE 18 18 5541 1 . GLU 19 19 5541 1 . GLU 20 20 5541 1 . TYR 21 21 5541 1 . MET 22 22 5541 1 . LYS 23 23 5541 1 . ALA 24 24 5541 1 . ILE 25 25 5541 1 . GLY 26 26 5541 1 . VAL 27 27 5541 1 . GLY 28 28 5541 1 . ALA 29 29 5541 1 . ILE 30 30 5541 1 . GLU 31 31 5541 1 . ARG 32 32 5541 1 . LYS 33 33 5541 1 . ALA 34 34 5541 1 . GLY 35 35 5541 1 . LEU 36 36 5541 1 . ALA 37 37 5541 1 . LEU 38 38 5541 1 . SER 39 39 5541 1 . PRO 40 40 5541 1 . VAL 41 41 5541 1 . ILE 42 42 5541 1 . GLU 43 43 5541 1 . LEU 44 44 5541 1 . GLU 45 45 5541 1 . VAL 46 46 5541 1 . LEU 47 47 5541 1 . ASP 48 48 5541 1 . GLY 49 49 5541 1 . ASP 50 50 5541 1 . LYS 51 51 5541 1 . PHE 52 52 5541 1 . LYS 53 53 5541 1 . LEU 54 54 5541 1 . THR 55 55 5541 1 . SER 56 56 5541 1 . LYS 57 57 5541 1 . THR 58 58 5541 1 . ALA 59 59 5541 1 . ILE 60 60 5541 1 . LYS 61 61 5541 1 . ASN 62 62 5541 1 . THR 63 63 5541 1 . GLU 64 64 5541 1 . PHE 65 65 5541 1 . THR 66 66 5541 1 . PHE 67 67 5541 1 . LYS 68 68 5541 1 . LEU 69 69 5541 1 . GLY 70 70 5541 1 . GLU 71 71 5541 1 . GLU 72 72 5541 1 . PHE 73 73 5541 1 . ASP 74 74 5541 1 . GLU 75 75 5541 1 . ASP 76 76 5541 1 . THR 77 77 5541 1 . LEU 78 78 5541 1 . ASP 79 79 5541 1 . GLY 80 80 5541 1 . ARG 81 81 5541 1 . LYS 82 82 5541 1 . VAL 83 83 5541 1 . LYS 84 84 5541 1 . SER 85 85 5541 1 . ILE 86 86 5541 1 . ILE 87 87 5541 1 . THR 88 88 5541 1 . GLN 89 89 5541 1 . ASP 90 90 5541 1 . GLY 91 91 5541 1 . PRO 92 92 5541 1 . ASN 93 93 5541 1 . LYS 94 94 5541 1 . LEU 95 95 5541 1 . VAL 96 96 5541 1 . HIS 97 97 5541 1 . GLU 98 98 5541 1 . GLN 99 99 5541 1 . LYS 100 100 5541 1 . GLY 101 101 5541 1 . ASP 102 102 5541 1 . HIS 103 103 5541 1 . PRO 104 104 5541 1 . THR 105 105 5541 1 . ILE 106 106 5541 1 . ILE 107 107 5541 1 . ILE 108 108 5541 1 . ARG 109 109 5541 1 . GLU 110 110 5541 1 . PHE 111 111 5541 1 . SER 112 112 5541 1 . LYS 113 113 5541 1 . GLU 114 114 5541 1 . GLN 115 115 5541 1 . CYS 116 116 5541 1 . VAL 117 117 5541 1 . ILE 118 118 5541 1 . THR 119 119 5541 1 . ILE 120 120 5541 1 . LYS 121 121 5541 1 . LEU 122 122 5541 1 . GLY 123 123 5541 1 . ASP 124 124 5541 1 . LEU 125 125 5541 1 . VAL 126 126 5541 1 . ALA 127 127 5541 1 . THR 128 128 5541 1 . ARG 129 129 5541 1 . ILE 130 130 5541 1 . TYR 131 131 5541 1 . LYS 132 132 5541 1 . ALA 133 133 5541 1 . GLN 134 134 5541 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 5541 _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 $Lm-FABP . 7004 organism . 'Locusta migratoria' Locust . . Eukaryota Metazoa Locusta migratoria . . . . 'flight muscle' . . . . . . . . . . . . . . . . 5541 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 5541 _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 $Lm-FABP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . pET-3d . . . . . . 5541 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5541 _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 'fatty acid binding protein' . . . 1 $Lm-FABP . . 5 . . mM . . . . 5541 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5541 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fatty acid binding protein' [U-15N] . . 1 $Lm-FABP . . 1 . . mM . . . . 5541 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5541 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 0.1 pH 5541 1 temperature 308 0.1 K 5541 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5541 _Software.ID 1 _Software.Name XWINNMR _Software.Version 1.3 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5541 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 5541 _Software.ID 2 _Software.Name AURELIA _Software.Version 2.5.9 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 5541 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5541 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5541 _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 Bruker DMX . 500 . . . 5541 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 5541 _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 'NOESY mixing times were set to 150ms (3D) and 200ms (2D);' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5541 1 2 'TOCSY spinlock times of either 80ms or 6ms were used.' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5541 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 5541 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5541 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_1 _NMR_spec_expt.Entry_ID 5541 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_2 _NMR_spec_expt.Entry_ID 5541 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_1 _NMR_spec_expt.Entry_ID 5541 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_2 _NMR_spec_expt.Entry_ID 5541 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_1 _NMR_spec_expt.Entry_ID 5541 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_2 _NMR_spec_expt.Entry_ID 5541 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_1 _NMR_spec_expt.Entry_ID 5541 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_2 _NMR_spec_expt.Entry_ID 5541 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5541 _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 . . . . . . . . . 5541 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5541 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_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_1 _Assigned_chem_shift_list.Entry_ID 5541 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Multiple spin-systems have been observed for residues V1, K10, L11, A23, I24, V26, A28, L37, P39, G42, K56, T57, A58, I59, K60, N61, T62, D73, D75, D78, K83, S84, H96, I105, I106, I107, E109, Q114, V116, T118, K120, and K131. ; _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 . 5541 1 . . 2 $sample_2 . 5541 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 1 1 MET HA H 1 4.30 0.01 . 1 . . . . 0 . . . 5541 1 2 . 1 1 1 1 MET HB2 H 1 2.43 0.01 . 2 . . . . 0 . . . 5541 1 3 . 1 1 1 1 MET HB3 H 1 2.25 0.01 . 2 . . . . 0 . . . 5541 1 4 . 1 1 1 1 MET HG2 H 1 2.83 0.01 . 2 . . . . 0 . . . 5541 1 5 . 1 1 1 1 MET HG3 H 1 2.78 0.01 . 2 . . . . 0 . . . 5541 1 6 . 1 1 2 2 VAL H H 1 9.13 0.01 . 1 . . . . 1 . . . 5541 1 7 . 1 1 2 2 VAL HA H 1 4.48 0.01 . 1 . . . . 1 . . . 5541 1 8 . 1 1 2 2 VAL HB H 1 1.99 0.01 . 1 . . . . 1 . . . 5541 1 9 . 1 1 2 2 VAL HG11 H 1 0.78 0.01 . 1 . . . . 1 . . . 5541 1 10 . 1 1 2 2 VAL HG12 H 1 0.78 0.01 . 1 . . . . 1 . . . 5541 1 11 . 1 1 2 2 VAL HG13 H 1 0.78 0.01 . 1 . . . . 1 . . . 5541 1 12 . 1 1 2 2 VAL HG21 H 1 0.78 0.01 . 1 . . . . 1 . . . 5541 1 13 . 1 1 2 2 VAL HG22 H 1 0.78 0.01 . 1 . . . . 1 . . . 5541 1 14 . 1 1 2 2 VAL HG23 H 1 0.78 0.01 . 1 . . . . 1 . . . 5541 1 15 . 1 1 2 2 VAL N N 15 123.8 0.1 . 9 . . . . 1 . . . 5541 1 16 . 1 1 3 3 LYS H H 1 8.11 0.01 . 1 . . . . 2 . . . 5541 1 17 . 1 1 3 3 LYS HA H 1 3.79 0.01 . 1 . . . . 2 . . . 5541 1 18 . 1 1 3 3 LYS HB2 H 1 1.86 0.01 . 2 . . . . 2 . . . 5541 1 19 . 1 1 3 3 LYS HB3 H 1 1.70 0.01 . 2 . . . . 2 . . . 5541 1 20 . 1 1 3 3 LYS HG2 H 1 1.44 0.01 . 2 . . . . 2 . . . 5541 1 21 . 1 1 3 3 LYS HG3 H 1 1.37 0.01 . 2 . . . . 2 . . . 5541 1 22 . 1 1 3 3 LYS HD2 H 1 1.58 0.01 . 1 . . . . 2 . . . 5541 1 23 . 1 1 3 3 LYS HD3 H 1 1.58 0.01 . 1 . . . . 2 . . . 5541 1 24 . 1 1 3 3 LYS HE2 H 1 2.94 0.01 . 1 . . . . 2 . . . 5541 1 25 . 1 1 3 3 LYS HE3 H 1 2.94 0.01 . 1 . . . . 2 . . . 5541 1 26 . 1 1 3 3 LYS N N 15 116.0 0.1 . 1 . . . . 2 . . . 5541 1 27 . 1 1 4 4 GLU H H 1 7.70 0.01 . 1 . . . . 3 . . . 5541 1 28 . 1 1 4 4 GLU HA H 1 3.89 0.01 . 1 . . . . 3 . . . 5541 1 29 . 1 1 4 4 GLU HB2 H 1 1.45 0.01 . 1 . . . . 3 . . . 5541 1 30 . 1 1 4 4 GLU HB3 H 1 1.45 0.01 . 1 . . . . 3 . . . 5541 1 31 . 1 1 4 4 GLU HG2 H 1 1.98 0.01 . 2 . . . . 3 . . . 5541 1 32 . 1 1 4 4 GLU HG3 H 1 1.77 0.01 . 2 . . . . 3 . . . 5541 1 33 . 1 1 5 5 PHE H H 1 7.48 0.01 . 1 . . . . 4 . . . 5541 1 34 . 1 1 5 5 PHE HA H 1 4.68 0.01 . 1 . . . . 4 . . . 5541 1 35 . 1 1 5 5 PHE HB2 H 1 4.06 0.01 . 2 . . . . 4 . . . 5541 1 36 . 1 1 5 5 PHE HB3 H 1 2.30 0.01 . 2 . . . . 4 . . . 5541 1 37 . 1 1 5 5 PHE HD1 H 1 7.01 0.01 . 1 . . . . 4 . . . 5541 1 38 . 1 1 5 5 PHE HD2 H 1 7.01 0.01 . 1 . . . . 4 . . . 5541 1 39 . 1 1 5 5 PHE HE1 H 1 7.16 0.01 . 1 . . . . 4 . . . 5541 1 40 . 1 1 5 5 PHE HE2 H 1 7.16 0.01 . 1 . . . . 4 . . . 5541 1 41 . 1 1 5 5 PHE HZ H 1 7.21 0.01 . 1 . . . . 4 . . . 5541 1 42 . 1 1 5 5 PHE N N 15 117.7 0.1 . 1 . . . . 4 . . . 5541 1 43 . 1 1 6 6 ALA H H 1 7.09 0.01 . 1 . . . . 5 . . . 5541 1 44 . 1 1 6 6 ALA HA H 1 4.36 0.01 . 1 . . . . 5 . . . 5541 1 45 . 1 1 6 6 ALA HB1 H 1 1.41 0.01 . 1 . . . . 5 . . . 5541 1 46 . 1 1 6 6 ALA HB2 H 1 1.41 0.01 . 1 . . . . 5 . . . 5541 1 47 . 1 1 6 6 ALA HB3 H 1 1.41 0.01 . 1 . . . . 5 . . . 5541 1 48 . 1 1 6 6 ALA N N 15 122.0 0.1 . 1 . . . . 5 . . . 5541 1 49 . 1 1 7 7 GLY H H 1 9.02 0.01 . 1 . . . . 6 . . . 5541 1 50 . 1 1 7 7 GLY HA2 H 1 4.24 0.01 . 2 . . . . 6 . . . 5541 1 51 . 1 1 7 7 GLY HA3 H 1 4.13 0.01 . 2 . . . . 6 . . . 5541 1 52 . 1 1 7 7 GLY N N 15 110.3 0.1 . 1 . . . . 6 . . . 5541 1 53 . 1 1 8 8 ILE H H 1 7.42 0.01 . 1 . . . . 7 . . . 5541 1 54 . 1 1 8 8 ILE HA H 1 3.87 0.01 . 1 . . . . 7 . . . 5541 1 55 . 1 1 8 8 ILE HB H 1 1.70 0.01 . 1 . . . . 7 . . . 5541 1 56 . 1 1 8 8 ILE HG12 H 1 1.53 0.01 . 2 . . . . 7 . . . 5541 1 57 . 1 1 8 8 ILE HG13 H 1 1.23 0.01 . 2 . . . . 7 . . . 5541 1 58 . 1 1 8 8 ILE HG21 H 1 0.16 0.01 . 1 . . . . 7 . . . 5541 1 59 . 1 1 8 8 ILE HG22 H 1 0.16 0.01 . 1 . . . . 7 . . . 5541 1 60 . 1 1 8 8 ILE HG23 H 1 0.16 0.01 . 1 . . . . 7 . . . 5541 1 61 . 1 1 8 8 ILE HD11 H 1 0.89 0.01 . 1 . . . . 7 . . . 5541 1 62 . 1 1 8 8 ILE HD12 H 1 0.89 0.01 . 1 . . . . 7 . . . 5541 1 63 . 1 1 8 8 ILE HD13 H 1 0.89 0.01 . 1 . . . . 7 . . . 5541 1 64 . 1 1 8 8 ILE N N 15 121.5 0.1 . 1 . . . . 7 . . . 5541 1 65 . 1 1 9 9 LYS H H 1 8.28 0.01 . 1 . . . . 8 . . . 5541 1 66 . 1 1 9 9 LYS HA H 1 4.75 0.01 . 1 . . . . 8 . . . 5541 1 67 . 1 1 9 9 LYS HB2 H 1 1.67 0.01 . 2 . . . . 8 . . . 5541 1 68 . 1 1 9 9 LYS HB3 H 1 1.48 0.01 . 2 . . . . 8 . . . 5541 1 69 . 1 1 9 9 LYS HG2 H 1 1.38 0.01 . 2 . . . . 8 . . . 5541 1 70 . 1 1 9 9 LYS HG3 H 1 1.27 0.01 . 2 . . . . 8 . . . 5541 1 71 . 1 1 9 9 LYS HD2 H 1 1.59 0.01 . 1 . . . . 8 . . . 5541 1 72 . 1 1 9 9 LYS HD3 H 1 1.59 0.01 . 1 . . . . 8 . . . 5541 1 73 . 1 1 9 9 LYS HE2 H 1 2.96 0.01 . 1 . . . . 8 . . . 5541 1 74 . 1 1 9 9 LYS HE3 H 1 2.96 0.01 . 1 . . . . 8 . . . 5541 1 75 . 1 1 9 9 LYS N N 15 126.7 0.1 . 1 . . . . 8 . . . 5541 1 76 . 1 1 10 10 TYR H H 1 9.04 0.01 . 1 . . . . 9 . . . 5541 1 77 . 1 1 10 10 TYR HA H 1 5.06 0.01 . 1 . . . . 9 . . . 5541 1 78 . 1 1 10 10 TYR HB2 H 1 2.71 0.01 . 2 . . . . 9 . . . 5541 1 79 . 1 1 10 10 TYR HB3 H 1 2.59 0.01 . 2 . . . . 9 . . . 5541 1 80 . 1 1 10 10 TYR HD1 H 1 6.79 0.01 . 1 . . . . 9 . . . 5541 1 81 . 1 1 10 10 TYR HD2 H 1 6.79 0.01 . 1 . . . . 9 . . . 5541 1 82 . 1 1 10 10 TYR HE1 H 1 6.76 0.01 . 1 . . . . 9 . . . 5541 1 83 . 1 1 10 10 TYR HE2 H 1 6.76 0.01 . 1 . . . . 9 . . . 5541 1 84 . 1 1 10 10 TYR N N 15 121.9 0.1 . 9 . . . . 9 . . . 5541 1 85 . 1 1 11 11 LYS H H 1 9.23 0.01 . 1 . . . . 10 . . . 5541 1 86 . 1 1 11 11 LYS HA H 1 5.48 0.01 . 1 . . . . 10 . . . 5541 1 87 . 1 1 11 11 LYS HB2 H 1 1.98 0.01 . 2 . . . . 10 . . . 5541 1 88 . 1 1 11 11 LYS HB3 H 1 1.64 0.01 . 2 . . . . 10 . . . 5541 1 89 . 1 1 11 11 LYS HG2 H 1 1.49 0.01 . 2 . . . . 10 . . . 5541 1 90 . 1 1 11 11 LYS HG3 H 1 1.36 0.01 . 2 . . . . 10 . . . 5541 1 91 . 1 1 11 11 LYS HD2 H 1 1.67 0.01 . 1 . . . . 10 . . . 5541 1 92 . 1 1 11 11 LYS HD3 H 1 1.67 0.01 . 1 . . . . 10 . . . 5541 1 93 . 1 1 11 11 LYS HE2 H 1 3.05 0.01 . 1 . . . . 10 . . . 5541 1 94 . 1 1 11 11 LYS HE3 H 1 3.05 0.01 . 1 . . . . 10 . . . 5541 1 95 . 1 1 11 11 LYS N N 15 124.8 0.1 . 1 . . . . 10 . . . 5541 1 96 . 1 1 12 12 LEU H H 1 8.11 0.01 . 1 . . . . 11 . . . 5541 1 97 . 1 1 12 12 LEU HA H 1 3.26 0.01 . 1 . . . . 11 . . . 5541 1 98 . 1 1 12 12 LEU HB2 H 1 1.50 0.01 . 2 . . . . 11 . . . 5541 1 99 . 1 1 12 12 LEU HB3 H 1 1.00 0.01 . 2 . . . . 11 . . . 5541 1 100 . 1 1 12 12 LEU HG H 1 1.12 0.01 . 1 . . . . 11 . . . 5541 1 101 . 1 1 12 12 LEU HD11 H 1 0.06 0.01 . 1 . . . . 11 . . . 5541 1 102 . 1 1 12 12 LEU HD12 H 1 0.06 0.01 . 1 . . . . 11 . . . 5541 1 103 . 1 1 12 12 LEU HD13 H 1 0.06 0.01 . 1 . . . . 11 . . . 5541 1 104 . 1 1 12 12 LEU HD21 H 1 0.68 0.01 . 1 . . . . 11 . . . 5541 1 105 . 1 1 12 12 LEU HD22 H 1 0.68 0.01 . 1 . . . . 11 . . . 5541 1 106 . 1 1 12 12 LEU HD23 H 1 0.68 0.01 . 1 . . . . 11 . . . 5541 1 107 . 1 1 13 13 ASP H H 1 9.64 0.01 . 1 . . . . 12 . . . 5541 1 108 . 1 1 13 13 ASP HA H 1 4.91 0.01 . 1 . . . . 12 . . . 5541 1 109 . 1 1 13 13 ASP HB2 H 1 2.52 0.01 . 1 . . . . 12 . . . 5541 1 110 . 1 1 13 13 ASP HB3 H 1 2.52 0.01 . 1 . . . . 12 . . . 5541 1 111 . 1 1 13 13 ASP N N 15 128.4 0.1 . 1 . . . . 12 . . . 5541 1 112 . 1 1 14 14 SER H H 1 7.75 0.01 . 1 . . . . 13 . . . 5541 1 113 . 1 1 14 14 SER HA H 1 4.66 0.01 . 1 . . . . 13 . . . 5541 1 114 . 1 1 14 14 SER HB2 H 1 3.83 0.01 . 1 . . . . 13 . . . 5541 1 115 . 1 1 14 14 SER HB3 H 1 3.83 0.01 . 1 . . . . 13 . . . 5541 1 116 . 1 1 14 14 SER N N 15 109.4 0.1 . 1 . . . . 13 . . . 5541 1 117 . 1 1 15 15 GLN H H 1 8.38 0.01 . 1 . . . . 14 . . . 5541 1 118 . 1 1 15 15 GLN HA H 1 5.37 0.01 . 1 . . . . 14 . . . 5541 1 119 . 1 1 15 15 GLN HB2 H 1 2.22 0.01 . 2 . . . . 14 . . . 5541 1 120 . 1 1 15 15 GLN HB3 H 1 2.16 0.01 . 2 . . . . 14 . . . 5541 1 121 . 1 1 15 15 GLN HG2 H 1 2.43 0.01 . 1 . . . . 14 . . . 5541 1 122 . 1 1 15 15 GLN HG3 H 1 2.43 0.01 . 1 . . . . 14 . . . 5541 1 123 . 1 1 15 15 GLN HE21 H 1 7.55 0.01 . 2 . . . . 14 . . . 5541 1 124 . 1 1 15 15 GLN HE22 H 1 7.23 0.01 . 2 . . . . 14 . . . 5541 1 125 . 1 1 15 15 GLN N N 15 114.2 0.1 . 1 . . . . 14 . . . 5541 1 126 . 1 1 15 15 GLN NE2 N 15 113.1 0.1 . 1 . . . . 14 . . . 5541 1 127 . 1 1 16 16 THR H H 1 9.30 0.01 . 1 . . . . 15 . . . 5541 1 128 . 1 1 16 16 THR HA H 1 4.72 0.01 . 1 . . . . 15 . . . 5541 1 129 . 1 1 16 16 THR HB H 1 4.05 0.01 . 1 . . . . 15 . . . 5541 1 130 . 1 1 16 16 THR HG21 H 1 1.26 0.01 . 1 . . . . 15 . . . 5541 1 131 . 1 1 16 16 THR HG22 H 1 1.26 0.01 . 1 . . . . 15 . . . 5541 1 132 . 1 1 16 16 THR HG23 H 1 1.26 0.01 . 1 . . . . 15 . . . 5541 1 133 . 1 1 16 16 THR N N 15 114.7 0.1 . 1 . . . . 15 . . . 5541 1 134 . 1 1 17 17 ASN H H 1 9.26 0.01 . 1 . . . . 16 . . . 5541 1 135 . 1 1 17 17 ASN HA H 1 5.03 0.01 . 1 . . . . 16 . . . 5541 1 136 . 1 1 17 17 ASN HB2 H 1 3.40 0.01 . 2 . . . . 16 . . . 5541 1 137 . 1 1 17 17 ASN HB3 H 1 3.21 0.01 . 2 . . . . 16 . . . 5541 1 138 . 1 1 17 17 ASN HD21 H 1 7.49 0.01 . 2 . . . . 16 . . . 5541 1 139 . 1 1 17 17 ASN HD22 H 1 6.87 0.01 . 2 . . . . 16 . . . 5541 1 140 . 1 1 17 17 ASN N N 15 127.7 0.1 . 9 . . . . 16 . . . 5541 1 141 . 1 1 17 17 ASN ND2 N 15 109.7 0.1 . 1 . . . . 16 . . . 5541 1 142 . 1 1 18 18 PHE H H 1 8.38 0.01 . 1 . . . . 17 . . . 5541 1 143 . 1 1 18 18 PHE HA H 1 4.37 0.01 . 1 . . . . 17 . . . 5541 1 144 . 1 1 18 18 PHE HB2 H 1 2.85 0.01 . 1 . . . . 17 . . . 5541 1 145 . 1 1 18 18 PHE HB3 H 1 2.85 0.01 . 1 . . . . 17 . . . 5541 1 146 . 1 1 18 18 PHE HD1 H 1 6.96 0.01 . 1 . . . . 17 . . . 5541 1 147 . 1 1 18 18 PHE HD2 H 1 6.96 0.01 . 1 . . . . 17 . . . 5541 1 148 . 1 1 18 18 PHE HE1 H 1 7.10 0.01 . 1 . . . . 17 . . . 5541 1 149 . 1 1 18 18 PHE HE2 H 1 7.10 0.01 . 1 . . . . 17 . . . 5541 1 150 . 1 1 18 18 PHE HZ H 1 7.13 0.01 . 9 . . . . 17 . . . 5541 1 151 . 1 1 18 18 PHE N N 15 120.2 0.1 . 1 . . . . 17 . . . 5541 1 152 . 1 1 19 19 GLU H H 1 8.88 0.01 . 1 . . . . 18 . . . 5541 1 153 . 1 1 19 19 GLU HA H 1 3.61 0.01 . 1 . . . . 18 . . . 5541 1 154 . 1 1 19 19 GLU HB2 H 1 2.06 0.01 . 2 . . . . 18 . . . 5541 1 155 . 1 1 19 19 GLU HB3 H 1 2.04 0.01 . 2 . . . . 18 . . . 5541 1 156 . 1 1 19 19 GLU HG2 H 1 2.25 0.01 . 1 . . . . 18 . . . 5541 1 157 . 1 1 19 19 GLU HG3 H 1 2.25 0.01 . 1 . . . . 18 . . . 5541 1 158 . 1 1 20 20 GLU H H 1 8.70 0.01 . 1 . . . . 19 . . . 5541 1 159 . 1 1 20 20 GLU HA H 1 3.74 0.01 . 1 . . . . 19 . . . 5541 1 160 . 1 1 20 20 GLU HB2 H 1 2.10 0.01 . 2 . . . . 19 . . . 5541 1 161 . 1 1 20 20 GLU HB3 H 1 1.86 0.01 . 2 . . . . 19 . . . 5541 1 162 . 1 1 20 20 GLU HG2 H 1 2.51 0.01 . 2 . . . . 19 . . . 5541 1 163 . 1 1 20 20 GLU HG3 H 1 2.28 0.01 . 2 . . . . 19 . . . 5541 1 164 . 1 1 20 20 GLU N N 15 118.9 0.1 . 1 . . . . 19 . . . 5541 1 165 . 1 1 21 21 TYR H H 1 7.59 0.01 . 1 . . . . 20 . . . 5541 1 166 . 1 1 21 21 TYR HA H 1 3.96 0.01 . 1 . . . . 20 . . . 5541 1 167 . 1 1 21 21 TYR HB2 H 1 2.91 0.01 . 1 . . . . 20 . . . 5541 1 168 . 1 1 21 21 TYR HB3 H 1 2.91 0.01 . 1 . . . . 20 . . . 5541 1 169 . 1 1 21 21 TYR HD1 H 1 6.65 0.01 . 1 . . . . 20 . . . 5541 1 170 . 1 1 21 21 TYR HD2 H 1 6.65 0.01 . 1 . . . . 20 . . . 5541 1 171 . 1 1 21 21 TYR HE1 H 1 6.56 0.01 . 1 . . . . 20 . . . 5541 1 172 . 1 1 21 21 TYR HE2 H 1 6.56 0.01 . 1 . . . . 20 . . . 5541 1 173 . 1 1 21 21 TYR N N 15 121.0 0.1 . 1 . . . . 20 . . . 5541 1 174 . 1 1 22 22 MET H H 1 7.54 0.01 . 1 . . . . 21 . . . 5541 1 175 . 1 1 22 22 MET HA H 1 3.25 0.01 . 1 . . . . 21 . . . 5541 1 176 . 1 1 22 22 MET HB2 H 1 2.04 0.01 . 2 . . . . 21 . . . 5541 1 177 . 1 1 22 22 MET HB3 H 1 1.61 0.01 . 2 . . . . 21 . . . 5541 1 178 . 1 1 22 22 MET HG2 H 1 1.93 0.01 . 2 . . . . 21 . . . 5541 1 179 . 1 1 22 22 MET HG3 H 1 1.40 0.01 . 2 . . . . 21 . . . 5541 1 180 . 1 1 22 22 MET N N 15 115.0 0.1 . 1 . . . . 21 . . . 5541 1 181 . 1 1 23 23 LYS H H 1 8.23 0.01 . 1 . . . . 22 . . . 5541 1 182 . 1 1 23 23 LYS HA H 1 3.78 0.01 . 1 . . . . 22 . . . 5541 1 183 . 1 1 23 23 LYS HB2 H 1 1.81 0.01 . 2 . . . . 22 . . . 5541 1 184 . 1 1 23 23 LYS HB3 H 1 1.59 0.01 . 2 . . . . 22 . . . 5541 1 185 . 1 1 23 23 LYS HG2 H 1 1.38 0.01 . 2 . . . . 22 . . . 5541 1 186 . 1 1 23 23 LYS HG3 H 1 1.19 0.01 . 2 . . . . 22 . . . 5541 1 187 . 1 1 23 23 LYS HD2 H 1 1.58 0.01 . 2 . . . . 22 . . . 5541 1 188 . 1 1 23 23 LYS HD3 H 1 1.50 0.01 . 2 . . . . 22 . . . 5541 1 189 . 1 1 23 23 LYS HE2 H 1 2.83 0.01 . 2 . . . . 22 . . . 5541 1 190 . 1 1 23 23 LYS HE3 H 1 2.80 0.01 . 2 . . . . 22 . . . 5541 1 191 . 1 1 23 23 LYS N N 15 117.6 0.1 . 1 . . . . 22 . . . 5541 1 192 . 1 1 24 24 ALA H H 1 7.73 0.01 . 1 . . . . 23 . . . 5541 1 193 . 1 1 24 24 ALA HA H 1 3.98 0.01 . 1 . . . . 23 . . . 5541 1 194 . 1 1 24 24 ALA HB1 H 1 1.34 0.01 . 1 . . . . 23 . . . 5541 1 195 . 1 1 24 24 ALA HB2 H 1 1.34 0.01 . 1 . . . . 23 . . . 5541 1 196 . 1 1 24 24 ALA HB3 H 1 1.34 0.01 . 1 . . . . 23 . . . 5541 1 197 . 1 1 24 24 ALA N N 15 122.8 0.1 . 9 . . . . 23 . . . 5541 1 198 . 1 1 25 25 ILE H H 1 6.99 0.01 . 1 . . . . 24 . . . 5541 1 199 . 1 1 25 25 ILE HA H 1 3.61 0.01 . 1 . . . . 24 . . . 5541 1 200 . 1 1 25 25 ILE HB H 1 1.61 0.01 . 1 . . . . 24 . . . 5541 1 201 . 1 1 25 25 ILE HG12 H 1 0.94 0.01 . 9 . . . . 24 . . . 5541 1 202 . 1 1 25 25 ILE HG13 H 1 0.94 0.01 . 9 . . . . 24 . . . 5541 1 203 . 1 1 25 25 ILE HG21 H 1 0.33 0.01 . 1 . . . . 24 . . . 5541 1 204 . 1 1 25 25 ILE HG22 H 1 0.33 0.01 . 1 . . . . 24 . . . 5541 1 205 . 1 1 25 25 ILE HG23 H 1 0.33 0.01 . 1 . . . . 24 . . . 5541 1 206 . 1 1 25 25 ILE HD11 H 1 0.44 0.01 . 1 . . . . 24 . . . 5541 1 207 . 1 1 25 25 ILE HD12 H 1 0.44 0.01 . 1 . . . . 24 . . . 5541 1 208 . 1 1 25 25 ILE HD13 H 1 0.44 0.01 . 1 . . . . 24 . . . 5541 1 209 . 1 1 25 25 ILE N N 15 108.2 0.1 . 1 . . . . 24 . . . 5541 1 210 . 1 1 26 26 GLY H H 1 7.28 0.01 . 1 . . . . 25 . . . 5541 1 211 . 1 1 26 26 GLY HA2 H 1 4.07 0.01 . 2 . . . . 25 . . . 5541 1 212 . 1 1 26 26 GLY HA3 H 1 3.55 0.01 . 2 . . . . 25 . . . 5541 1 213 . 1 1 26 26 GLY N N 15 108.8 0.1 . 9 . . . . 25 . . . 5541 1 214 . 1 1 27 27 VAL H H 1 7.69 0.01 . 1 . . . . 26 . . . 5541 1 215 . 1 1 27 27 VAL HA H 1 3.77 0.01 . 1 . . . . 26 . . . 5541 1 216 . 1 1 27 27 VAL HB H 1 1.50 0.01 . 1 . . . . 26 . . . 5541 1 217 . 1 1 27 27 VAL HG11 H 1 1.01 0.01 . 1 . . . . 26 . . . 5541 1 218 . 1 1 27 27 VAL HG12 H 1 1.01 0.01 . 1 . . . . 26 . . . 5541 1 219 . 1 1 27 27 VAL HG13 H 1 1.01 0.01 . 1 . . . . 26 . . . 5541 1 220 . 1 1 27 27 VAL HG21 H 1 0.76 0.01 . 1 . . . . 26 . . . 5541 1 221 . 1 1 27 27 VAL HG22 H 1 0.76 0.01 . 1 . . . . 26 . . . 5541 1 222 . 1 1 27 27 VAL HG23 H 1 0.76 0.01 . 1 . . . . 26 . . . 5541 1 223 . 1 1 27 27 VAL N N 15 122.2 0.1 . 9 . . . . 26 . . . 5541 1 224 . 1 1 28 28 GLY H H 1 8.97 0.01 . 1 . . . . 27 . . . 5541 1 225 . 1 1 28 28 GLY HA2 H 1 4.01 0.01 . 1 . . . . 27 . . . 5541 1 226 . 1 1 28 28 GLY HA3 H 1 4.01 0.01 . 1 . . . . 27 . . . 5541 1 227 . 1 1 28 28 GLY N N 15 117.4 0.1 . 1 . . . . 27 . . . 5541 1 228 . 1 1 29 29 ALA H H 1 8.09 0.01 . 1 . . . . 28 . . . 5541 1 229 . 1 1 29 29 ALA HA H 1 4.21 0.01 . 1 . . . . 28 . . . 5541 1 230 . 1 1 29 29 ALA HB1 H 1 1.23 0.01 . 1 . . . . 28 . . . 5541 1 231 . 1 1 29 29 ALA HB2 H 1 1.23 0.01 . 1 . . . . 28 . . . 5541 1 232 . 1 1 29 29 ALA HB3 H 1 1.23 0.01 . 1 . . . . 28 . . . 5541 1 233 . 1 1 30 30 ILE H H 1 8.27 0.01 . 1 . . . . 29 . . . 5541 1 234 . 1 1 30 30 ILE HA H 1 3.75 0.01 . 1 . . . . 29 . . . 5541 1 235 . 1 1 30 30 ILE HB H 1 1.86 0.01 . 1 . . . . 29 . . . 5541 1 236 . 1 1 30 30 ILE HG12 H 1 1.59 0.01 . 2 . . . . 29 . . . 5541 1 237 . 1 1 30 30 ILE HG13 H 1 1.28 0.01 . 2 . . . . 29 . . . 5541 1 238 . 1 1 30 30 ILE HG21 H 1 0.88 0.01 . 1 . . . . 29 . . . 5541 1 239 . 1 1 30 30 ILE HG22 H 1 0.88 0.01 . 1 . . . . 29 . . . 5541 1 240 . 1 1 30 30 ILE HG23 H 1 0.88 0.01 . 1 . . . . 29 . . . 5541 1 241 . 1 1 30 30 ILE HD11 H 1 0.87 0.01 . 1 . . . . 29 . . . 5541 1 242 . 1 1 30 30 ILE HD12 H 1 0.87 0.01 . 1 . . . . 29 . . . 5541 1 243 . 1 1 30 30 ILE HD13 H 1 0.87 0.01 . 1 . . . . 29 . . . 5541 1 244 . 1 1 30 30 ILE N N 15 118.4 0.1 . 1 . . . . 29 . . . 5541 1 245 . 1 1 31 31 GLU H H 1 8.32 0.01 . 1 . . . . 30 . . . 5541 1 246 . 1 1 31 31 GLU HA H 1 3.75 0.01 . 1 . . . . 30 . . . 5541 1 247 . 1 1 31 31 GLU HB2 H 1 1.86 0.01 . 1 . . . . 30 . . . 5541 1 248 . 1 1 31 31 GLU HB3 H 1 1.86 0.01 . 1 . . . . 30 . . . 5541 1 249 . 1 1 31 31 GLU HG2 H 1 2.18 0.01 . 2 . . . . 30 . . . 5541 1 250 . 1 1 31 31 GLU HG3 H 1 2.09 0.01 . 2 . . . . 30 . . . 5541 1 251 . 1 1 31 31 GLU N N 15 122.2 0.1 . 1 . . . . 30 . . . 5541 1 252 . 1 1 32 32 ARG H H 1 8.74 0.01 . 1 . . . . 31 . . . 5541 1 253 . 1 1 32 32 ARG HA H 1 4.03 0.01 . 1 . . . . 31 . . . 5541 1 254 . 1 1 32 32 ARG HB2 H 1 1.97 0.01 . 1 . . . . 31 . . . 5541 1 255 . 1 1 32 32 ARG HB3 H 1 1.97 0.01 . 1 . . . . 31 . . . 5541 1 256 . 1 1 32 32 ARG HG2 H 1 1.61 0.01 . 1 . . . . 31 . . . 5541 1 257 . 1 1 32 32 ARG HG3 H 1 1.61 0.01 . 1 . . . . 31 . . . 5541 1 258 . 1 1 32 32 ARG N N 15 127.1 0.1 . 1 . . . . 31 . . . 5541 1 259 . 1 1 33 33 LYS H H 1 7.35 0.01 . 1 . . . . 32 . . . 5541 1 260 . 1 1 33 33 LYS HA H 1 3.94 0.01 . 1 . . . . 32 . . . 5541 1 261 . 1 1 33 33 LYS HB2 H 1 1.92 0.01 . 1 . . . . 32 . . . 5541 1 262 . 1 1 33 33 LYS HB3 H 1 1.92 0.01 . 1 . . . . 32 . . . 5541 1 263 . 1 1 33 33 LYS HG2 H 1 1.57 0.01 . 2 . . . . 32 . . . 5541 1 264 . 1 1 33 33 LYS HG3 H 1 1.45 0.01 . 2 . . . . 32 . . . 5541 1 265 . 1 1 33 33 LYS HD2 H 1 1.68 0.01 . 1 . . . . 32 . . . 5541 1 266 . 1 1 33 33 LYS HD3 H 1 1.68 0.01 . 1 . . . . 32 . . . 5541 1 267 . 1 1 33 33 LYS HE2 H 1 2.99 0.01 . 1 . . . . 32 . . . 5541 1 268 . 1 1 33 33 LYS HE3 H 1 2.99 0.01 . 1 . . . . 32 . . . 5541 1 269 . 1 1 33 33 LYS N N 15 118.2 0.1 . 9 . . . . 32 . . . 5541 1 270 . 1 1 34 34 ALA H H 1 7.39 0.01 . 1 . . . . 33 . . . 5541 1 271 . 1 1 34 34 ALA HA H 1 4.15 0.01 . 1 . . . . 33 . . . 5541 1 272 . 1 1 34 34 ALA HB1 H 1 1.45 0.01 . 1 . . . . 33 . . . 5541 1 273 . 1 1 34 34 ALA HB2 H 1 1.45 0.01 . 1 . . . . 33 . . . 5541 1 274 . 1 1 34 34 ALA HB3 H 1 1.45 0.01 . 1 . . . . 33 . . . 5541 1 275 . 1 1 34 34 ALA N N 15 121.1 0.1 . 9 . . . . 33 . . . 5541 1 276 . 1 1 35 35 GLY H H 1 8.26 0.01 . 1 . . . . 34 . . . 5541 1 277 . 1 1 35 35 GLY HA2 H 1 4.20 0.01 . 2 . . . . 34 . . . 5541 1 278 . 1 1 35 35 GLY HA3 H 1 3.76 0.01 . 2 . . . . 34 . . . 5541 1 279 . 1 1 35 35 GLY N N 15 113.7 0.1 . 9 . . . . 34 . . . 5541 1 280 . 1 1 36 36 LEU H H 1 7.57 0.01 . 1 . . . . 35 . . . 5541 1 281 . 1 1 36 36 LEU HA H 1 3.94 0.01 . 1 . . . . 35 . . . 5541 1 282 . 1 1 36 36 LEU HB2 H 1 1.93 0.01 . 9 . . . . 35 . . . 5541 1 283 . 1 1 36 36 LEU HB3 H 1 1.68 0.01 . 2 . . . . 35 . . . 5541 1 284 . 1 1 36 36 LEU HG H 1 1.66 0.01 . 1 . . . . 35 . . . 5541 1 285 . 1 1 36 36 LEU HD11 H 1 1.00 0.01 . 1 . . . . 35 . . . 5541 1 286 . 1 1 36 36 LEU HD12 H 1 1.00 0.01 . 1 . . . . 35 . . . 5541 1 287 . 1 1 36 36 LEU HD13 H 1 1.00 0.01 . 1 . . . . 35 . . . 5541 1 288 . 1 1 36 36 LEU HD21 H 1 1.00 0.01 . 1 . . . . 35 . . . 5541 1 289 . 1 1 36 36 LEU HD22 H 1 1.00 0.01 . 1 . . . . 35 . . . 5541 1 290 . 1 1 36 36 LEU HD23 H 1 1.00 0.01 . 1 . . . . 35 . . . 5541 1 291 . 1 1 37 37 ALA H H 1 7.62 0.01 . 1 . . . . 36 . . . 5541 1 292 . 1 1 37 37 ALA HA H 1 4.16 0.01 . 1 . . . . 36 . . . 5541 1 293 . 1 1 37 37 ALA HB1 H 1 1.46 0.01 . 1 . . . . 36 . . . 5541 1 294 . 1 1 37 37 ALA HB2 H 1 1.46 0.01 . 1 . . . . 36 . . . 5541 1 295 . 1 1 37 37 ALA HB3 H 1 1.46 0.01 . 1 . . . . 36 . . . 5541 1 296 . 1 1 37 37 ALA N N 15 118.1 0.1 . 9 . . . . 36 . . . 5541 1 297 . 1 1 38 38 LEU H H 1 6.98 0.01 . 1 . . . . 37 . . . 5541 1 298 . 1 1 38 38 LEU HA H 1 4.36 0.01 . 1 . . . . 37 . . . 5541 1 299 . 1 1 38 38 LEU HB2 H 1 1.97 0.01 . 2 . . . . 37 . . . 5541 1 300 . 1 1 38 38 LEU HB3 H 1 1.33 0.01 . 2 . . . . 37 . . . 5541 1 301 . 1 1 38 38 LEU HG H 1 2.36 0.01 . 1 . . . . 37 . . . 5541 1 302 . 1 1 38 38 LEU HD11 H 1 1.06 0.01 . 2 . . . . 37 . . . 5541 1 303 . 1 1 38 38 LEU HD12 H 1 1.06 0.01 . 2 . . . . 37 . . . 5541 1 304 . 1 1 38 38 LEU HD13 H 1 1.06 0.01 . 2 . . . . 37 . . . 5541 1 305 . 1 1 38 38 LEU HD21 H 1 0.98 0.01 . 2 . . . . 37 . . . 5541 1 306 . 1 1 38 38 LEU HD22 H 1 0.98 0.01 . 2 . . . . 37 . . . 5541 1 307 . 1 1 38 38 LEU HD23 H 1 0.98 0.01 . 2 . . . . 37 . . . 5541 1 308 . 1 1 38 38 LEU N N 15 116.6 0.1 . 1 . . . . 37 . . . 5541 1 309 . 1 1 39 39 SER H H 1 8.49 0.01 . 1 . . . . 38 . . . 5541 1 310 . 1 1 39 39 SER HA H 1 4.88 0.01 . 1 . . . . 38 . . . 5541 1 311 . 1 1 39 39 SER HB2 H 1 3.84 0.01 . 2 . . . . 38 . . . 5541 1 312 . 1 1 39 39 SER HB3 H 1 3.79 0.01 . 2 . . . . 38 . . . 5541 1 313 . 1 1 39 39 SER N N 15 128.7 0.1 . 9 . . . . 38 . . . 5541 1 314 . 1 1 40 40 PRO HA H 1 4.58 0.01 . 9 . . . . 39 . . . 5541 1 315 . 1 1 40 40 PRO HB2 H 1 2.30 0.01 . 2 . . . . 39 . . . 5541 1 316 . 1 1 40 40 PRO HB3 H 1 2.01 0.01 . 2 . . . . 39 . . . 5541 1 317 . 1 1 40 40 PRO HG2 H 1 2.14 0.01 . 2 . . . . 39 . . . 5541 1 318 . 1 1 40 40 PRO HG3 H 1 1.84 0.01 . 2 . . . . 39 . . . 5541 1 319 . 1 1 40 40 PRO HD2 H 1 3.59 0.01 . 2 . . . . 39 . . . 5541 1 320 . 1 1 40 40 PRO HD3 H 1 3.39 0.01 . 2 . . . . 39 . . . 5541 1 321 . 1 1 41 41 VAL H H 1 8.31 0.01 . 1 . . . . 40 . . . 5541 1 322 . 1 1 41 41 VAL HA H 1 5.34 0.01 . 1 . . . . 40 . . . 5541 1 323 . 1 1 41 41 VAL HB H 1 1.94 0.01 . 1 . . . . 40 . . . 5541 1 324 . 1 1 41 41 VAL HG11 H 1 1.05 0.01 . 2 . . . . 40 . . . 5541 1 325 . 1 1 41 41 VAL HG12 H 1 1.05 0.01 . 2 . . . . 40 . . . 5541 1 326 . 1 1 41 41 VAL HG13 H 1 1.05 0.01 . 2 . . . . 40 . . . 5541 1 327 . 1 1 41 41 VAL HG21 H 1 0.89 0.01 . 2 . . . . 40 . . . 5541 1 328 . 1 1 41 41 VAL HG22 H 1 0.89 0.01 . 2 . . . . 40 . . . 5541 1 329 . 1 1 41 41 VAL HG23 H 1 0.89 0.01 . 2 . . . . 40 . . . 5541 1 330 . 1 1 41 41 VAL N N 15 120.2 0.1 . 9 . . . . 40 . . . 5541 1 331 . 1 1 42 42 ILE H H 1 9.66 0.01 . 1 . . . . 41 . . . 5541 1 332 . 1 1 42 42 ILE HA H 1 5.68 0.01 . 1 . . . . 41 . . . 5541 1 333 . 1 1 42 42 ILE HB H 1 1.68 0.01 . 1 . . . . 41 . . . 5541 1 334 . 1 1 42 42 ILE HG12 H 1 1.38 0.01 . 2 . . . . 41 . . . 5541 1 335 . 1 1 42 42 ILE HG13 H 1 0.66 0.01 . 2 . . . . 41 . . . 5541 1 336 . 1 1 42 42 ILE HG21 H 1 0.77 0.01 . 1 . . . . 41 . . . 5541 1 337 . 1 1 42 42 ILE HG22 H 1 0.77 0.01 . 1 . . . . 41 . . . 5541 1 338 . 1 1 42 42 ILE HG23 H 1 0.77 0.01 . 1 . . . . 41 . . . 5541 1 339 . 1 1 42 42 ILE HD11 H 1 -0.08 0.01 . 1 . . . . 41 . . . 5541 1 340 . 1 1 42 42 ILE HD12 H 1 -0.08 0.01 . 1 . . . . 41 . . . 5541 1 341 . 1 1 42 42 ILE HD13 H 1 -0.08 0.01 . 1 . . . . 41 . . . 5541 1 342 . 1 1 42 42 ILE N N 15 124.3 0.1 . 1 . . . . 41 . . . 5541 1 343 . 1 1 43 43 GLU H H 1 7.64 0.01 . 1 . . . . 42 . . . 5541 1 344 . 1 1 43 43 GLU HA H 1 4.72 0.01 . 1 . . . . 42 . . . 5541 1 345 . 1 1 43 43 GLU HB2 H 1 1.97 0.01 . 2 . . . . 42 . . . 5541 1 346 . 1 1 43 43 GLU HB3 H 1 1.81 0.01 . 2 . . . . 42 . . . 5541 1 347 . 1 1 43 43 GLU HG2 H 1 2.11 0.01 . 1 . . . . 42 . . . 5541 1 348 . 1 1 43 43 GLU HG3 H 1 2.11 0.01 . 1 . . . . 42 . . . 5541 1 349 . 1 1 43 43 GLU N N 15 119.0 0.1 . 1 . . . . 42 . . . 5541 1 350 . 1 1 44 44 LEU H H 1 9.97 0.01 . 1 . . . . 43 . . . 5541 1 351 . 1 1 44 44 LEU HA H 1 5.29 0.01 . 1 . . . . 43 . . . 5541 1 352 . 1 1 44 44 LEU HB2 H 1 1.81 0.01 . 2 . . . . 43 . . . 5541 1 353 . 1 1 44 44 LEU HB3 H 1 1.28 0.01 . 2 . . . . 43 . . . 5541 1 354 . 1 1 44 44 LEU HG H 1 1.39 0.01 . 1 . . . . 43 . . . 5541 1 355 . 1 1 44 44 LEU HD11 H 1 0.77 0.01 . 2 . . . . 43 . . . 5541 1 356 . 1 1 44 44 LEU HD12 H 1 0.77 0.01 . 2 . . . . 43 . . . 5541 1 357 . 1 1 44 44 LEU HD13 H 1 0.77 0.01 . 2 . . . . 43 . . . 5541 1 358 . 1 1 44 44 LEU HD21 H 1 0.35 0.01 . 2 . . . . 43 . . . 5541 1 359 . 1 1 44 44 LEU HD22 H 1 0.35 0.01 . 2 . . . . 43 . . . 5541 1 360 . 1 1 44 44 LEU HD23 H 1 0.35 0.01 . 2 . . . . 43 . . . 5541 1 361 . 1 1 44 44 LEU N N 15 129.2 0.1 . 1 . . . . 43 . . . 5541 1 362 . 1 1 45 45 GLU H H 1 9.47 0.01 . 1 . . . . 44 . . . 5541 1 363 . 1 1 45 45 GLU HA H 1 4.80 0.01 . 1 . . . . 44 . . . 5541 1 364 . 1 1 45 45 GLU HB2 H 1 1.94 0.01 . 2 . . . . 44 . . . 5541 1 365 . 1 1 45 45 GLU HB3 H 1 1.73 0.01 . 2 . . . . 44 . . . 5541 1 366 . 1 1 45 45 GLU HG2 H 1 2.12 0.01 . 1 . . . . 44 . . . 5541 1 367 . 1 1 45 45 GLU HG3 H 1 2.12 0.01 . 1 . . . . 44 . . . 5541 1 368 . 1 1 45 45 GLU N N 15 125.4 0.1 . 1 . . . . 44 . . . 5541 1 369 . 1 1 46 46 VAL H H 1 8.49 0.01 . 1 . . . . 45 . . . 5541 1 370 . 1 1 46 46 VAL HA H 1 4.05 0.01 . 1 . . . . 45 . . . 5541 1 371 . 1 1 46 46 VAL HB H 1 1.86 0.01 . 1 . . . . 45 . . . 5541 1 372 . 1 1 46 46 VAL HG11 H 1 0.85 0.01 . 2 . . . . 45 . . . 5541 1 373 . 1 1 46 46 VAL HG12 H 1 0.85 0.01 . 2 . . . . 45 . . . 5541 1 374 . 1 1 46 46 VAL HG13 H 1 0.85 0.01 . 2 . . . . 45 . . . 5541 1 375 . 1 1 46 46 VAL HG21 H 1 0.75 0.01 . 2 . . . . 45 . . . 5541 1 376 . 1 1 46 46 VAL HG22 H 1 0.75 0.01 . 2 . . . . 45 . . . 5541 1 377 . 1 1 46 46 VAL HG23 H 1 0.75 0.01 . 2 . . . . 45 . . . 5541 1 378 . 1 1 46 46 VAL N N 15 122.3 0.1 . 1 . . . . 45 . . . 5541 1 379 . 1 1 47 47 LEU H H 1 8.10 0.01 . 1 . . . . 46 . . . 5541 1 380 . 1 1 47 47 LEU HA H 1 4.55 0.01 . 1 . . . . 46 . . . 5541 1 381 . 1 1 47 47 LEU HB2 H 1 1.52 0.01 . 2 . . . . 46 . . . 5541 1 382 . 1 1 47 47 LEU HB3 H 1 1.23 0.01 . 2 . . . . 46 . . . 5541 1 383 . 1 1 47 47 LEU HG H 1 1.30 0.01 . 1 . . . . 46 . . . 5541 1 384 . 1 1 47 47 LEU HD11 H 1 0.69 0.01 . 2 . . . . 46 . . . 5541 1 385 . 1 1 47 47 LEU HD12 H 1 0.69 0.01 . 2 . . . . 46 . . . 5541 1 386 . 1 1 47 47 LEU HD13 H 1 0.69 0.01 . 2 . . . . 46 . . . 5541 1 387 . 1 1 47 47 LEU HD21 H 1 0.66 0.01 . 2 . . . . 46 . . . 5541 1 388 . 1 1 47 47 LEU HD22 H 1 0.66 0.01 . 2 . . . . 46 . . . 5541 1 389 . 1 1 47 47 LEU HD23 H 1 0.66 0.01 . 2 . . . . 46 . . . 5541 1 390 . 1 1 47 47 LEU N N 15 127.9 0.1 . 1 . . . . 46 . . . 5541 1 391 . 1 1 48 48 ASP H H 1 7.93 0.01 . 1 . . . . 47 . . . 5541 1 392 . 1 1 48 48 ASP HA H 1 4.40 0.01 . 1 . . . . 47 . . . 5541 1 393 . 1 1 48 48 ASP HB2 H 1 2.58 0.01 . 1 . . . . 47 . . . 5541 1 394 . 1 1 48 48 ASP HB3 H 1 2.58 0.01 . 1 . . . . 47 . . . 5541 1 395 . 1 1 48 48 ASP N N 15 117.7 0.1 . 1 . . . . 47 . . . 5541 1 396 . 1 1 49 49 GLY H H 1 8.43 0.01 . 1 . . . . 48 . . . 5541 1 397 . 1 1 49 49 GLY HA2 H 1 3.80 0.01 . 2 . . . . 48 . . . 5541 1 398 . 1 1 49 49 GLY HA3 H 1 3.66 0.01 . 2 . . . . 48 . . . 5541 1 399 . 1 1 49 49 GLY N N 15 108.2 0.1 . 1 . . . . 48 . . . 5541 1 400 . 1 1 50 50 ASP H H 1 8.23 0.01 . 1 . . . . 49 . . . 5541 1 401 . 1 1 50 50 ASP HA H 1 4.27 0.01 . 1 . . . . 49 . . . 5541 1 402 . 1 1 50 50 ASP HB2 H 1 2.82 0.01 . 2 . . . . 49 . . . 5541 1 403 . 1 1 50 50 ASP HB3 H 1 2.78 0.01 . 2 . . . . 49 . . . 5541 1 404 . 1 1 50 50 ASP N N 15 115.7 0.1 . 1 . . . . 49 . . . 5541 1 405 . 1 1 51 51 LYS H H 1 6.70 0.01 . 1 . . . . 50 . . . 5541 1 406 . 1 1 51 51 LYS HA H 1 4.66 0.01 . 1 . . . . 50 . . . 5541 1 407 . 1 1 51 51 LYS HB2 H 1 1.48 0.01 . 2 . . . . 50 . . . 5541 1 408 . 1 1 51 51 LYS HB3 H 1 1.37 0.01 . 2 . . . . 50 . . . 5541 1 409 . 1 1 51 51 LYS HG2 H 1 1.11 0.01 . 1 . . . . 50 . . . 5541 1 410 . 1 1 51 51 LYS HG3 H 1 1.11 0.01 . 1 . . . . 50 . . . 5541 1 411 . 1 1 51 51 LYS HD2 H 1 1.48 0.01 . 1 . . . . 50 . . . 5541 1 412 . 1 1 51 51 LYS HD3 H 1 1.48 0.01 . 1 . . . . 50 . . . 5541 1 413 . 1 1 51 51 LYS HE2 H 1 2.86 0.01 . 1 . . . . 50 . . . 5541 1 414 . 1 1 51 51 LYS HE3 H 1 2.86 0.01 . 1 . . . . 50 . . . 5541 1 415 . 1 1 51 51 LYS N N 15 115.7 0.1 . 1 . . . . 50 . . . 5541 1 416 . 1 1 52 52 PHE H H 1 8.57 0.01 . 1 . . . . 51 . . . 5541 1 417 . 1 1 52 52 PHE HA H 1 4.91 0.01 . 1 . . . . 51 . . . 5541 1 418 . 1 1 52 52 PHE HB2 H 1 2.32 0.01 . 2 . . . . 51 . . . 5541 1 419 . 1 1 52 52 PHE HB3 H 1 1.08 0.01 . 2 . . . . 51 . . . 5541 1 420 . 1 1 52 52 PHE HD1 H 1 6.84 0.01 . 1 . . . . 51 . . . 5541 1 421 . 1 1 52 52 PHE HD2 H 1 6.84 0.01 . 1 . . . . 51 . . . 5541 1 422 . 1 1 52 52 PHE HE1 H 1 7.05 0.01 . 1 . . . . 51 . . . 5541 1 423 . 1 1 52 52 PHE HE2 H 1 7.05 0.01 . 1 . . . . 51 . . . 5541 1 424 . 1 1 52 52 PHE HZ H 1 7.18 0.01 . 1 . . . . 51 . . . 5541 1 425 . 1 1 52 52 PHE N N 15 120.1 0.1 . 1 . . . . 51 . . . 5541 1 426 . 1 1 53 53 LYS H H 1 8.71 0.01 . 1 . . . . 52 . . . 5541 1 427 . 1 1 53 53 LYS HA H 1 5.23 0.01 . 1 . . . . 52 . . . 5541 1 428 . 1 1 53 53 LYS HB2 H 1 1.52 0.01 . 2 . . . . 52 . . . 5541 1 429 . 1 1 53 53 LYS HB3 H 1 1.43 0.01 . 2 . . . . 52 . . . 5541 1 430 . 1 1 53 53 LYS HG2 H 1 1.23 0.01 . 2 . . . . 52 . . . 5541 1 431 . 1 1 53 53 LYS HG3 H 1 1.04 0.01 . 2 . . . . 52 . . . 5541 1 432 . 1 1 53 53 LYS HD2 H 1 1.41 0.01 . 1 . . . . 52 . . . 5541 1 433 . 1 1 53 53 LYS HD3 H 1 1.41 0.01 . 1 . . . . 52 . . . 5541 1 434 . 1 1 53 53 LYS HE2 H 1 2.63 0.01 . 2 . . . . 52 . . . 5541 1 435 . 1 1 53 53 LYS HE3 H 1 2.60 0.01 . 2 . . . . 52 . . . 5541 1 436 . 1 1 53 53 LYS N N 15 119.1 0.1 . 1 . . . . 52 . . . 5541 1 437 . 1 1 54 54 LEU H H 1 8.11 0.01 . 1 . . . . 53 . . . 5541 1 438 . 1 1 54 54 LEU HA H 1 5.25 0.01 . 1 . . . . 53 . . . 5541 1 439 . 1 1 54 54 LEU HB2 H 1 1.22 0.01 . 2 . . . . 53 . . . 5541 1 440 . 1 1 54 54 LEU HB3 H 1 0.89 0.01 . 2 . . . . 53 . . . 5541 1 441 . 1 1 54 54 LEU HG H 1 0.95 0.01 . 1 . . . . 53 . . . 5541 1 442 . 1 1 54 54 LEU HD11 H 1 0.80 0.01 . 1 . . . . 53 . . . 5541 1 443 . 1 1 54 54 LEU HD12 H 1 0.80 0.01 . 1 . . . . 53 . . . 5541 1 444 . 1 1 54 54 LEU HD13 H 1 0.80 0.01 . 1 . . . . 53 . . . 5541 1 445 . 1 1 54 54 LEU HD21 H 1 0.94 0.01 . 1 . . . . 53 . . . 5541 1 446 . 1 1 54 54 LEU HD22 H 1 0.94 0.01 . 1 . . . . 53 . . . 5541 1 447 . 1 1 54 54 LEU HD23 H 1 0.94 0.01 . 1 . . . . 53 . . . 5541 1 448 . 1 1 54 54 LEU N N 15 127.0 0.1 . 1 . . . . 53 . . . 5541 1 449 . 1 1 55 55 THR H H 1 8.57 0.01 . 1 . . . . 54 . . . 5541 1 450 . 1 1 55 55 THR HA H 1 4.90 0.01 . 1 . . . . 54 . . . 5541 1 451 . 1 1 55 55 THR HB H 1 4.22 0.01 . 1 . . . . 54 . . . 5541 1 452 . 1 1 55 55 THR HG21 H 1 1.18 0.01 . 1 . . . . 54 . . . 5541 1 453 . 1 1 55 55 THR HG22 H 1 1.18 0.01 . 1 . . . . 54 . . . 5541 1 454 . 1 1 55 55 THR HG23 H 1 1.18 0.01 . 1 . . . . 54 . . . 5541 1 455 . 1 1 55 55 THR N N 15 113.4 0.1 . 9 . . . . 54 . . . 5541 1 456 . 1 1 56 56 SER H H 1 8.61 0.01 . 1 . . . . 55 . . . 5541 1 457 . 1 1 56 56 SER HA H 1 5.24 0.01 . 1 . . . . 55 . . . 5541 1 458 . 1 1 56 56 SER HB2 H 1 3.79 0.01 . 2 . . . . 55 . . . 5541 1 459 . 1 1 56 56 SER HB3 H 1 3.75 0.01 . 2 . . . . 55 . . . 5541 1 460 . 1 1 56 56 SER N N 15 118.1 0.1 . 1 . . . . 55 . . . 5541 1 461 . 1 1 57 57 LYS H H 1 9.29 0.01 . 1 . . . . 56 . . . 5541 1 462 . 1 1 57 57 LYS HA H 1 5.29 0.01 . 1 . . . . 56 . . . 5541 1 463 . 1 1 57 57 LYS HB2 H 1 1.88 0.01 . 2 . . . . 56 . . . 5541 1 464 . 1 1 57 57 LYS HB3 H 1 1.75 0.01 . 2 . . . . 56 . . . 5541 1 465 . 1 1 57 57 LYS HG2 H 1 1.27 0.01 . 1 . . . . 56 . . . 5541 1 466 . 1 1 57 57 LYS HG3 H 1 1.27 0.01 . 1 . . . . 56 . . . 5541 1 467 . 1 1 57 57 LYS HD2 H 1 1.56 0.01 . 1 . . . . 56 . . . 5541 1 468 . 1 1 57 57 LYS HD3 H 1 1.56 0.01 . 1 . . . . 56 . . . 5541 1 469 . 1 1 57 57 LYS HE2 H 1 2.94 0.01 . 1 . . . . 56 . . . 5541 1 470 . 1 1 57 57 LYS HE3 H 1 2.94 0.01 . 1 . . . . 56 . . . 5541 1 471 . 1 1 57 57 LYS N N 15 127.7 0.1 . 1 . . . . 56 . . . 5541 1 472 . 1 1 58 58 THR H H 1 8.27 0.01 . 1 . . . . 57 . . . 5541 1 473 . 1 1 58 58 THR HA H 1 4.87 0.01 . 1 . . . . 57 . . . 5541 1 474 . 1 1 58 58 THR HB H 1 4.19 0.01 . 1 . . . . 57 . . . 5541 1 475 . 1 1 58 58 THR HG21 H 1 1.48 0.01 . 1 . . . . 57 . . . 5541 1 476 . 1 1 58 58 THR HG22 H 1 1.48 0.01 . 1 . . . . 57 . . . 5541 1 477 . 1 1 58 58 THR HG23 H 1 1.48 0.01 . 1 . . . . 57 . . . 5541 1 478 . 1 1 58 58 THR N N 15 131.1 0.1 . 9 . . . . 57 . . . 5541 1 479 . 1 1 59 59 ALA H H 1 7.14 0.01 . 1 . . . . 58 . . . 5541 1 480 . 1 1 59 59 ALA HA H 1 4.41 0.01 . 1 . . . . 58 . . . 5541 1 481 . 1 1 59 59 ALA HB1 H 1 1.50 0.01 . 1 . . . . 58 . . . 5541 1 482 . 1 1 59 59 ALA HB2 H 1 1.50 0.01 . 1 . . . . 58 . . . 5541 1 483 . 1 1 59 59 ALA HB3 H 1 1.50 0.01 . 1 . . . . 58 . . . 5541 1 484 . 1 1 59 59 ALA N N 15 118.7 0.1 . 9 . . . . 58 . . . 5541 1 485 . 1 1 60 60 ILE H H 1 7.18 0.01 . 1 . . . . 59 . . . 5541 1 486 . 1 1 60 60 ILE HA H 1 4.35 0.01 . 1 . . . . 59 . . . 5541 1 487 . 1 1 60 60 ILE HB H 1 1.90 0.01 . 1 . . . . 59 . . . 5541 1 488 . 1 1 60 60 ILE HG12 H 1 1.35 0.01 . 2 . . . . 59 . . . 5541 1 489 . 1 1 60 60 ILE HG13 H 1 1.16 0.01 . 2 . . . . 59 . . . 5541 1 490 . 1 1 60 60 ILE HG21 H 1 0.90 0.01 . 1 . . . . 59 . . . 5541 1 491 . 1 1 60 60 ILE HG22 H 1 0.90 0.01 . 1 . . . . 59 . . . 5541 1 492 . 1 1 60 60 ILE HG23 H 1 0.90 0.01 . 1 . . . . 59 . . . 5541 1 493 . 1 1 60 60 ILE HD11 H 1 0.89 0.01 . 9 . . . . 59 . . . 5541 1 494 . 1 1 60 60 ILE HD12 H 1 0.89 0.01 . 9 . . . . 59 . . . 5541 1 495 . 1 1 60 60 ILE HD13 H 1 0.89 0.01 . 9 . . . . 59 . . . 5541 1 496 . 1 1 60 60 ILE N N 15 109.7 0.1 . 9 . . . . 59 . . . 5541 1 497 . 1 1 61 61 LYS H H 1 6.90 0.01 . 1 . . . . 60 . . . 5541 1 498 . 1 1 61 61 LYS HA H 1 4.39 0.01 . 1 . . . . 60 . . . 5541 1 499 . 1 1 61 61 LYS HB2 H 1 1.92 0.01 . 2 . . . . 60 . . . 5541 1 500 . 1 1 61 61 LYS HB3 H 1 1.61 0.01 . 2 . . . . 60 . . . 5541 1 501 . 1 1 61 61 LYS HG2 H 1 1.34 0.01 . 1 . . . . 60 . . . 5541 1 502 . 1 1 61 61 LYS HG3 H 1 1.34 0.01 . 1 . . . . 60 . . . 5541 1 503 . 1 1 61 61 LYS HD2 H 1 1.72 0.01 . 1 . . . . 60 . . . 5541 1 504 . 1 1 61 61 LYS HD3 H 1 1.72 0.01 . 1 . . . . 60 . . . 5541 1 505 . 1 1 61 61 LYS HE2 H 1 3.00 0.01 . 1 . . . . 60 . . . 5541 1 506 . 1 1 61 61 LYS HE3 H 1 3.00 0.01 . 1 . . . . 60 . . . 5541 1 507 . 1 1 61 61 LYS N N 15 118.8 0.1 . 9 . . . . 60 . . . 5541 1 508 . 1 1 62 62 ASN H H 1 8.86 0.01 . 1 . . . . 61 . . . 5541 1 509 . 1 1 62 62 ASN HA H 1 5.81 0.01 . 1 . . . . 61 . . . 5541 1 510 . 1 1 62 62 ASN HB2 H 1 3.11 0.01 . 2 . . . . 61 . . . 5541 1 511 . 1 1 62 62 ASN HB3 H 1 2.81 0.01 . 2 . . . . 61 . . . 5541 1 512 . 1 1 62 62 ASN HD21 H 1 7.43 0.01 . 2 . . . . 61 . . . 5541 1 513 . 1 1 62 62 ASN HD22 H 1 6.61 0.01 . 2 . . . . 61 . . . 5541 1 514 . 1 1 62 62 ASN N N 15 125.4 0.1 . 9 . . . . 61 . . . 5541 1 515 . 1 1 62 62 ASN ND2 N 15 110.0 0.1 . 1 . . . . 61 . . . 5541 1 516 . 1 1 63 63 THR H H 1 9.22 0.01 . 1 . . . . 62 . . . 5541 1 517 . 1 1 63 63 THR HA H 1 4.92 0.01 . 1 . . . . 62 . . . 5541 1 518 . 1 1 63 63 THR HB H 1 4.46 0.01 . 1 . . . . 62 . . . 5541 1 519 . 1 1 63 63 THR HG21 H 1 1.18 0.01 . 1 . . . . 62 . . . 5541 1 520 . 1 1 63 63 THR HG22 H 1 1.18 0.01 . 1 . . . . 62 . . . 5541 1 521 . 1 1 63 63 THR HG23 H 1 1.18 0.01 . 1 . . . . 62 . . . 5541 1 522 . 1 1 63 63 THR N N 15 124.7 0.1 . 9 . . . . 62 . . . 5541 1 523 . 1 1 64 64 GLU H H 1 8.54 0.01 . 1 . . . . 63 . . . 5541 1 524 . 1 1 64 64 GLU HA H 1 5.28 0.01 . 1 . . . . 63 . . . 5541 1 525 . 1 1 64 64 GLU HB2 H 1 2.30 0.01 . 2 . . . . 63 . . . 5541 1 526 . 1 1 64 64 GLU HB3 H 1 1.79 0.01 . 2 . . . . 63 . . . 5541 1 527 . 1 1 64 64 GLU HG2 H 1 2.20 0.01 . 2 . . . . 63 . . . 5541 1 528 . 1 1 64 64 GLU HG3 H 1 2.06 0.01 . 2 . . . . 63 . . . 5541 1 529 . 1 1 64 64 GLU N N 15 116.9 0.1 . 1 . . . . 63 . . . 5541 1 530 . 1 1 65 65 PHE H H 1 7.92 0.01 . 1 . . . . 64 . . . 5541 1 531 . 1 1 65 65 PHE HA H 1 5.09 0.01 . 1 . . . . 64 . . . 5541 1 532 . 1 1 65 65 PHE HB2 H 1 3.66 0.01 . 2 . . . . 64 . . . 5541 1 533 . 1 1 65 65 PHE HB3 H 1 3.17 0.01 . 2 . . . . 64 . . . 5541 1 534 . 1 1 65 65 PHE HD1 H 1 6.89 0.01 . 1 . . . . 64 . . . 5541 1 535 . 1 1 65 65 PHE HD2 H 1 6.89 0.01 . 1 . . . . 64 . . . 5541 1 536 . 1 1 65 65 PHE HE1 H 1 6.96 0.01 . 1 . . . . 64 . . . 5541 1 537 . 1 1 65 65 PHE HE2 H 1 6.96 0.01 . 1 . . . . 64 . . . 5541 1 538 . 1 1 65 65 PHE HZ H 1 6.79 0.01 . 1 . . . . 64 . . . 5541 1 539 . 1 1 65 65 PHE N N 15 117.1 0.1 . 1 . . . . 64 . . . 5541 1 540 . 1 1 66 66 THR H H 1 8.17 0.01 . 1 . . . . 65 . . . 5541 1 541 . 1 1 66 66 THR HA H 1 5.36 0.01 . 1 . . . . 65 . . . 5541 1 542 . 1 1 66 66 THR HB H 1 3.91 0.01 . 1 . . . . 65 . . . 5541 1 543 . 1 1 66 66 THR HG21 H 1 1.07 0.01 . 1 . . . . 65 . . . 5541 1 544 . 1 1 66 66 THR HG22 H 1 1.07 0.01 . 1 . . . . 65 . . . 5541 1 545 . 1 1 66 66 THR HG23 H 1 1.07 0.01 . 1 . . . . 65 . . . 5541 1 546 . 1 1 66 66 THR N N 15 116.5 0.1 . 1 . . . . 65 . . . 5541 1 547 . 1 1 67 67 PHE H H 1 8.98 0.01 . 1 . . . . 66 . . . 5541 1 548 . 1 1 67 67 PHE HA H 1 4.96 0.01 . 1 . . . . 66 . . . 5541 1 549 . 1 1 67 67 PHE HB2 H 1 2.74 0.01 . 1 . . . . 66 . . . 5541 1 550 . 1 1 67 67 PHE HB3 H 1 2.74 0.01 . 1 . . . . 66 . . . 5541 1 551 . 1 1 67 67 PHE HD1 H 1 6.69 0.01 . 1 . . . . 66 . . . 5541 1 552 . 1 1 67 67 PHE HD2 H 1 6.69 0.01 . 1 . . . . 66 . . . 5541 1 553 . 1 1 67 67 PHE HE1 H 1 6.73 0.01 . 1 . . . . 66 . . . 5541 1 554 . 1 1 67 67 PHE HE2 H 1 6.73 0.01 . 1 . . . . 66 . . . 5541 1 555 . 1 1 67 67 PHE HZ H 1 6.56 0.01 . 1 . . . . 66 . . . 5541 1 556 . 1 1 67 67 PHE N N 15 120.5 0.1 . 9 . . . . 66 . . . 5541 1 557 . 1 1 68 68 LYS H H 1 9.03 0.01 . 1 . . . . 67 . . . 5541 1 558 . 1 1 68 68 LYS HA H 1 4.84 0.01 . 1 . . . . 67 . . . 5541 1 559 . 1 1 68 68 LYS HB2 H 1 1.91 0.01 . 2 . . . . 67 . . . 5541 1 560 . 1 1 68 68 LYS HB3 H 1 1.55 0.01 . 2 . . . . 67 . . . 5541 1 561 . 1 1 68 68 LYS HG2 H 1 1.48 0.01 . 1 . . . . 67 . . . 5541 1 562 . 1 1 68 68 LYS HG3 H 1 1.48 0.01 . 1 . . . . 67 . . . 5541 1 563 . 1 1 68 68 LYS HD2 H 1 1.72 0.01 . 1 . . . . 67 . . . 5541 1 564 . 1 1 68 68 LYS HD3 H 1 1.72 0.01 . 1 . . . . 67 . . . 5541 1 565 . 1 1 68 68 LYS HE2 H 1 3.02 0.01 . 1 . . . . 67 . . . 5541 1 566 . 1 1 68 68 LYS HE3 H 1 3.02 0.01 . 1 . . . . 67 . . . 5541 1 567 . 1 1 68 68 LYS N N 15 119.7 0.1 . 1 . . . . 67 . . . 5541 1 568 . 1 1 69 69 LEU H H 1 9.15 0.01 . 1 . . . . 68 . . . 5541 1 569 . 1 1 69 69 LEU HA H 1 4.59 0.01 . 1 . . . . 68 . . . 5541 1 570 . 1 1 69 69 LEU HB2 H 1 1.98 0.01 . 2 . . . . 68 . . . 5541 1 571 . 1 1 69 69 LEU HB3 H 1 1.63 0.01 . 2 . . . . 68 . . . 5541 1 572 . 1 1 69 69 LEU HG H 1 1.06 0.01 . 1 . . . . 68 . . . 5541 1 573 . 1 1 69 69 LEU HD11 H 1 0.78 0.01 . 1 . . . . 68 . . . 5541 1 574 . 1 1 69 69 LEU HD12 H 1 0.78 0.01 . 1 . . . . 68 . . . 5541 1 575 . 1 1 69 69 LEU HD13 H 1 0.78 0.01 . 1 . . . . 68 . . . 5541 1 576 . 1 1 69 69 LEU HD21 H 1 0.78 0.01 . 1 . . . . 68 . . . 5541 1 577 . 1 1 69 69 LEU HD22 H 1 0.78 0.01 . 1 . . . . 68 . . . 5541 1 578 . 1 1 69 69 LEU HD23 H 1 0.78 0.01 . 1 . . . . 68 . . . 5541 1 579 . 1 1 69 69 LEU N N 15 125.1 0.1 . 1 . . . . 68 . . . 5541 1 580 . 1 1 70 70 GLY H H 1 9.43 0.01 . 1 . . . . 69 . . . 5541 1 581 . 1 1 70 70 GLY HA2 H 1 4.32 0.01 . 2 . . . . 69 . . . 5541 1 582 . 1 1 70 70 GLY HA3 H 1 3.48 0.01 . 2 . . . . 69 . . . 5541 1 583 . 1 1 70 70 GLY N N 15 108.8 0.1 . 1 . . . . 69 . . . 5541 1 584 . 1 1 71 71 GLU H H 1 7.75 0.01 . 1 . . . . 70 . . . 5541 1 585 . 1 1 71 71 GLU HA H 1 4.88 0.01 . 1 . . . . 70 . . . 5541 1 586 . 1 1 71 71 GLU HB2 H 1 2.00 0.01 . 1 . . . . 70 . . . 5541 1 587 . 1 1 71 71 GLU HB3 H 1 2.00 0.01 . 1 . . . . 70 . . . 5541 1 588 . 1 1 71 71 GLU HG2 H 1 2.32 0.01 . 1 . . . . 70 . . . 5541 1 589 . 1 1 71 71 GLU HG3 H 1 2.32 0.01 . 1 . . . . 70 . . . 5541 1 590 . 1 1 71 71 GLU N N 15 119.6 0.1 . 1 . . . . 70 . . . 5541 1 591 . 1 1 72 72 GLU H H 1 9.10 0.01 . 1 . . . . 71 . . . 5541 1 592 . 1 1 72 72 GLU HA H 1 5.02 0.01 . 1 . . . . 71 . . . 5541 1 593 . 1 1 72 72 GLU HB2 H 1 1.99 0.01 . 1 . . . . 71 . . . 5541 1 594 . 1 1 72 72 GLU HB3 H 1 1.99 0.01 . 1 . . . . 71 . . . 5541 1 595 . 1 1 72 72 GLU HG2 H 1 2.22 0.01 . 2 . . . . 71 . . . 5541 1 596 . 1 1 72 72 GLU HG3 H 1 2.17 0.01 . 2 . . . . 71 . . . 5541 1 597 . 1 1 72 72 GLU N N 15 130.8 0.1 . 1 . . . . 71 . . . 5541 1 598 . 1 1 73 73 PHE H H 1 9.24 0.01 . 1 . . . . 72 . . . 5541 1 599 . 1 1 73 73 PHE HA H 1 5.17 0.01 . 1 . . . . 72 . . . 5541 1 600 . 1 1 73 73 PHE HB2 H 1 3.44 0.01 . 2 . . . . 72 . . . 5541 1 601 . 1 1 73 73 PHE HB3 H 1 3.28 0.01 . 2 . . . . 72 . . . 5541 1 602 . 1 1 73 73 PHE HD1 H 1 7.35 0.01 . 1 . . . . 72 . . . 5541 1 603 . 1 1 73 73 PHE HD2 H 1 7.35 0.01 . 1 . . . . 72 . . . 5541 1 604 . 1 1 73 73 PHE HE1 H 1 6.51 0.01 . 1 . . . . 72 . . . 5541 1 605 . 1 1 73 73 PHE HE2 H 1 6.51 0.01 . 1 . . . . 72 . . . 5541 1 606 . 1 1 73 73 PHE HZ H 1 5.82 0.01 . 1 . . . . 72 . . . 5541 1 607 . 1 1 73 73 PHE N N 15 122.2 0.1 . 1 . . . . 72 . . . 5541 1 608 . 1 1 74 74 ASP H H 1 8.38 0.01 . 1 . . . . 73 . . . 5541 1 609 . 1 1 74 74 ASP HA H 1 5.08 0.01 . 1 . . . . 73 . . . 5541 1 610 . 1 1 74 74 ASP HB2 H 1 2.68 0.01 . 2 . . . . 73 . . . 5541 1 611 . 1 1 74 74 ASP HB3 H 1 2.51 0.01 . 2 . . . . 73 . . . 5541 1 612 . 1 1 74 74 ASP N N 15 119.0 0.1 . 1 . . . . 73 . . . 5541 1 613 . 1 1 75 75 GLU H H 1 9.21 0.01 . 1 . . . . 74 . . . 5541 1 614 . 1 1 75 75 GLU HA H 1 4.67 0.01 . 1 . . . . 74 . . . 5541 1 615 . 1 1 75 75 GLU HB2 H 1 1.84 0.01 . 1 . . . . 74 . . . 5541 1 616 . 1 1 75 75 GLU HB3 H 1 1.84 0.01 . 1 . . . . 74 . . . 5541 1 617 . 1 1 75 75 GLU HG2 H 1 1.98 0.01 . 9 . . . . 74 . . . 5541 1 618 . 1 1 75 75 GLU HG3 H 1 1.98 0.01 . 9 . . . . 74 . . . 5541 1 619 . 1 1 75 75 GLU N N 15 126.5 0.1 . 9 . . . . 74 . . . 5541 1 620 . 1 1 76 76 ASP H H 1 8.78 0.01 . 1 . . . . 75 . . . 5541 1 621 . 1 1 76 76 ASP HA H 1 5.61 0.01 . 1 . . . . 75 . . . 5541 1 622 . 1 1 76 76 ASP HB2 H 1 2.76 0.01 . 2 . . . . 75 . . . 5541 1 623 . 1 1 76 76 ASP HB3 H 1 2.72 0.01 . 2 . . . . 75 . . . 5541 1 624 . 1 1 77 77 THR H H 1 9.29 0.01 . 1 . . . . 76 . . . 5541 1 625 . 1 1 77 77 THR HA H 1 4.82 0.01 . 1 . . . . 76 . . . 5541 1 626 . 1 1 77 77 THR HB H 1 4.52 0.01 . 1 . . . . 76 . . . 5541 1 627 . 1 1 77 77 THR HG1 H 1 6.16 0.01 . 1 . . . . 76 . . . 5541 1 628 . 1 1 77 77 THR HG21 H 1 1.02 0.01 . 1 . . . . 76 . . . 5541 1 629 . 1 1 77 77 THR HG22 H 1 1.02 0.01 . 1 . . . . 76 . . . 5541 1 630 . 1 1 77 77 THR HG23 H 1 1.02 0.01 . 1 . . . . 76 . . . 5541 1 631 . 1 1 77 77 THR N N 15 116.1 0.1 . 9 . . . . 76 . . . 5541 1 632 . 1 1 78 78 LEU H H 1 9.18 0.01 . 1 . . . . 77 . . . 5541 1 633 . 1 1 78 78 LEU HA H 1 3.84 0.01 . 1 . . . . 77 . . . 5541 1 634 . 1 1 79 79 ASP H H 1 9.28 0.01 . 1 . . . . 78 . . . 5541 1 635 . 1 1 79 79 ASP HA H 1 4.40 0.01 . 1 . . . . 78 . . . 5541 1 636 . 1 1 79 79 ASP HB2 H 1 3.00 0.01 . 2 . . . . 78 . . . 5541 1 637 . 1 1 79 79 ASP HB3 H 1 2.79 0.01 . 2 . . . . 78 . . . 5541 1 638 . 1 1 79 79 ASP N N 15 119.7 0.1 . 9 . . . . 78 . . . 5541 1 639 . 1 1 80 80 GLY H H 1 7.83 0.01 . 1 . . . . 79 . . . 5541 1 640 . 1 1 80 80 GLY HA2 H 1 4.23 0.01 . 2 . . . . 79 . . . 5541 1 641 . 1 1 80 80 GLY HA3 H 1 3.76 0.01 . 2 . . . . 79 . . . 5541 1 642 . 1 1 80 80 GLY N N 15 107.7 0.1 . 1 . . . . 79 . . . 5541 1 643 . 1 1 81 81 ARG H H 1 7.53 0.01 . 1 . . . . 80 . . . 5541 1 644 . 1 1 81 81 ARG HA H 1 4.44 0.01 . 1 . . . . 80 . . . 5541 1 645 . 1 1 81 81 ARG HB2 H 1 1.99 0.01 . 2 . . . . 80 . . . 5541 1 646 . 1 1 81 81 ARG HB3 H 1 1.46 0.01 . 2 . . . . 80 . . . 5541 1 647 . 1 1 81 81 ARG HG2 H 1 1.56 0.01 . 2 . . . . 80 . . . 5541 1 648 . 1 1 81 81 ARG HG3 H 1 1.38 0.01 . 2 . . . . 80 . . . 5541 1 649 . 1 1 81 81 ARG HD2 H 1 3.29 0.01 . 2 . . . . 80 . . . 5541 1 650 . 1 1 81 81 ARG HD3 H 1 3.16 0.01 . 2 . . . . 80 . . . 5541 1 651 . 1 1 81 81 ARG HE H 1 9.54 0.01 . 1 . . . . 80 . . . 5541 1 652 . 1 1 81 81 ARG N N 15 119.7 0.1 . 1 . . . . 80 . . . 5541 1 653 . 1 1 81 81 ARG NE N 15 88.4 0.1 . 1 . . . . 80 . . . 5541 1 654 . 1 1 82 82 LYS H H 1 8.24 0.01 . 1 . . . . 81 . . . 5541 1 655 . 1 1 82 82 LYS HA H 1 5.31 0.01 . 1 . . . . 81 . . . 5541 1 656 . 1 1 82 82 LYS HB2 H 1 1.76 0.01 . 2 . . . . 81 . . . 5541 1 657 . 1 1 82 82 LYS HB3 H 1 1.69 0.01 . 2 . . . . 81 . . . 5541 1 658 . 1 1 82 82 LYS HG2 H 1 1.40 0.01 . 1 . . . . 81 . . . 5541 1 659 . 1 1 82 82 LYS HG3 H 1 1.40 0.01 . 1 . . . . 81 . . . 5541 1 660 . 1 1 82 82 LYS HD2 H 1 1.71 0.01 . 1 . . . . 81 . . . 5541 1 661 . 1 1 82 82 LYS HD3 H 1 1.71 0.01 . 1 . . . . 81 . . . 5541 1 662 . 1 1 82 82 LYS HE2 H 1 3.01 0.01 . 1 . . . . 81 . . . 5541 1 663 . 1 1 82 82 LYS HE3 H 1 3.01 0.01 . 1 . . . . 81 . . . 5541 1 664 . 1 1 82 82 LYS N N 15 108.5 0.1 . 9 . . . . 81 . . . 5541 1 665 . 1 1 83 83 VAL H H 1 9.04 0.01 . 1 . . . . 82 . . . 5541 1 666 . 1 1 83 83 VAL HA H 1 4.79 0.01 . 1 . . . . 82 . . . 5541 1 667 . 1 1 83 83 VAL HB H 1 2.15 0.01 . 1 . . . . 82 . . . 5541 1 668 . 1 1 83 83 VAL HG11 H 1 0.80 0.01 . 2 . . . . 82 . . . 5541 1 669 . 1 1 83 83 VAL HG12 H 1 0.80 0.01 . 2 . . . . 82 . . . 5541 1 670 . 1 1 83 83 VAL HG13 H 1 0.80 0.01 . 2 . . . . 82 . . . 5541 1 671 . 1 1 83 83 VAL HG21 H 1 0.63 0.01 . 2 . . . . 82 . . . 5541 1 672 . 1 1 83 83 VAL HG22 H 1 0.63 0.01 . 2 . . . . 82 . . . 5541 1 673 . 1 1 83 83 VAL HG23 H 1 0.63 0.01 . 2 . . . . 82 . . . 5541 1 674 . 1 1 83 83 VAL N N 15 119.5 0.1 . 1 . . . . 82 . . . 5541 1 675 . 1 1 84 84 LYS H H 1 8.05 0.01 . 1 . . . . 83 . . . 5541 1 676 . 1 1 84 84 LYS HA H 1 4.83 0.01 . 1 . . . . 83 . . . 5541 1 677 . 1 1 84 84 LYS HB2 H 1 1.67 0.01 . 2 . . . . 83 . . . 5541 1 678 . 1 1 84 84 LYS HB3 H 1 1.56 0.01 . 2 . . . . 83 . . . 5541 1 679 . 1 1 84 84 LYS HG2 H 1 1.40 0.01 . 2 . . . . 83 . . . 5541 1 680 . 1 1 84 84 LYS HG3 H 1 1.38 0.01 . 2 . . . . 83 . . . 5541 1 681 . 1 1 84 84 LYS HD2 H 1 1.67 0.01 . 1 . . . . 83 . . . 5541 1 682 . 1 1 84 84 LYS HD3 H 1 1.67 0.01 . 1 . . . . 83 . . . 5541 1 683 . 1 1 84 84 LYS HE2 H 1 2.91 0.01 . 1 . . . . 83 . . . 5541 1 684 . 1 1 84 84 LYS HE3 H 1 2.91 0.01 . 1 . . . . 83 . . . 5541 1 685 . 1 1 84 84 LYS N N 15 122.5 0.1 . 1 . . . . 83 . . . 5541 1 686 . 1 1 85 85 SER H H 1 8.63 0.01 . 1 . . . . 84 . . . 5541 1 687 . 1 1 85 85 SER HA H 1 5.67 0.01 . 1 . . . . 84 . . . 5541 1 688 . 1 1 85 85 SER HB2 H 1 3.04 0.01 . 1 . . . . 84 . . . 5541 1 689 . 1 1 85 85 SER HB3 H 1 3.04 0.01 . 1 . . . . 84 . . . 5541 1 690 . 1 1 85 85 SER N N 15 121.5 0.1 . 1 . . . . 84 . . . 5541 1 691 . 1 1 86 86 ILE H H 1 8.31 0.01 . 1 . . . . 85 . . . 5541 1 692 . 1 1 86 86 ILE HA H 1 4.30 0.01 . 1 . . . . 85 . . . 5541 1 693 . 1 1 86 86 ILE HB H 1 1.72 0.01 . 1 . . . . 85 . . . 5541 1 694 . 1 1 86 86 ILE HG12 H 1 1.46 0.01 . 9 . . . . 85 . . . 5541 1 695 . 1 1 86 86 ILE HG13 H 1 1.46 0.01 . 9 . . . . 85 . . . 5541 1 696 . 1 1 86 86 ILE HG21 H 1 0.93 0.01 . 1 . . . . 85 . . . 5541 1 697 . 1 1 86 86 ILE HG22 H 1 0.93 0.01 . 1 . . . . 85 . . . 5541 1 698 . 1 1 86 86 ILE HG23 H 1 0.93 0.01 . 1 . . . . 85 . . . 5541 1 699 . 1 1 86 86 ILE HD11 H 1 0.85 0.01 . 1 . . . . 85 . . . 5541 1 700 . 1 1 86 86 ILE HD12 H 1 0.85 0.01 . 1 . . . . 85 . . . 5541 1 701 . 1 1 86 86 ILE HD13 H 1 0.85 0.01 . 1 . . . . 85 . . . 5541 1 702 . 1 1 86 86 ILE N N 15 117.0 0.1 . 1 . . . . 85 . . . 5541 1 703 . 1 1 87 87 ILE H H 1 10.09 0.01 . 1 . . . . 86 . . . 5541 1 704 . 1 1 87 87 ILE HA H 1 5.45 0.01 . 1 . . . . 86 . . . 5541 1 705 . 1 1 87 87 ILE HB H 1 1.27 0.01 . 1 . . . . 86 . . . 5541 1 706 . 1 1 87 87 ILE HG12 H 1 1.12 0.01 . 2 . . . . 86 . . . 5541 1 707 . 1 1 87 87 ILE HG13 H 1 0.41 0.01 . 2 . . . . 86 . . . 5541 1 708 . 1 1 87 87 ILE HG21 H 1 0.57 0.01 . 1 . . . . 86 . . . 5541 1 709 . 1 1 87 87 ILE HG22 H 1 0.57 0.01 . 1 . . . . 86 . . . 5541 1 710 . 1 1 87 87 ILE HG23 H 1 0.57 0.01 . 1 . . . . 86 . . . 5541 1 711 . 1 1 87 87 ILE HD11 H 1 -0.50 0.01 . 1 . . . . 86 . . . 5541 1 712 . 1 1 87 87 ILE HD12 H 1 -0.50 0.01 . 1 . . . . 86 . . . 5541 1 713 . 1 1 87 87 ILE HD13 H 1 -0.50 0.01 . 1 . . . . 86 . . . 5541 1 714 . 1 1 87 87 ILE N N 15 129.9 0.1 . 1 . . . . 86 . . . 5541 1 715 . 1 1 88 88 THR H H 1 9.08 0.01 . 1 . . . . 87 . . . 5541 1 716 . 1 1 88 88 THR HA H 1 4.71 0.01 . 1 . . . . 87 . . . 5541 1 717 . 1 1 88 88 THR HB H 1 4.32 0.01 . 1 . . . . 87 . . . 5541 1 718 . 1 1 88 88 THR HG21 H 1 1.26 0.01 . 1 . . . . 87 . . . 5541 1 719 . 1 1 88 88 THR HG22 H 1 1.26 0.01 . 1 . . . . 87 . . . 5541 1 720 . 1 1 88 88 THR HG23 H 1 1.26 0.01 . 1 . . . . 87 . . . 5541 1 721 . 1 1 88 88 THR N N 15 117.6 0.1 . 1 . . . . 87 . . . 5541 1 722 . 1 1 89 89 GLN H H 1 8.97 0.01 . 1 . . . . 88 . . . 5541 1 723 . 1 1 89 89 GLN HA H 1 5.13 0.01 . 1 . . . . 88 . . . 5541 1 724 . 1 1 89 89 GLN HB2 H 1 2.15 0.01 . 2 . . . . 88 . . . 5541 1 725 . 1 1 89 89 GLN HB3 H 1 2.09 0.01 . 2 . . . . 88 . . . 5541 1 726 . 1 1 89 89 GLN HG2 H 1 2.65 0.01 . 2 . . . . 88 . . . 5541 1 727 . 1 1 89 89 GLN HG3 H 1 2.45 0.01 . 2 . . . . 88 . . . 5541 1 728 . 1 1 89 89 GLN HE21 H 1 7.44 0.01 . 2 . . . . 88 . . . 5541 1 729 . 1 1 89 89 GLN HE22 H 1 6.58 0.01 . 2 . . . . 88 . . . 5541 1 730 . 1 1 89 89 GLN N N 15 120.5 0.1 . 1 . . . . 88 . . . 5541 1 731 . 1 1 89 89 GLN NE2 N 15 110.1 0.1 . 1 . . . . 88 . . . 5541 1 732 . 1 1 90 90 ASP H H 1 8.14 0.01 . 1 . . . . 89 . . . 5541 1 733 . 1 1 90 90 ASP HA H 1 4.97 0.01 . 1 . . . . 89 . . . 5541 1 734 . 1 1 90 90 ASP HB2 H 1 2.44 0.01 . 1 . . . . 89 . . . 5541 1 735 . 1 1 90 90 ASP HB3 H 1 2.44 0.01 . 1 . . . . 89 . . . 5541 1 736 . 1 1 90 90 ASP N N 15 125.8 0.1 . 1 . . . . 89 . . . 5541 1 737 . 1 1 91 91 GLY H H 1 8.22 0.01 . 1 . . . . 90 . . . 5541 1 738 . 1 1 91 91 GLY HA2 H 1 4.41 0.01 . 2 . . . . 90 . . . 5541 1 739 . 1 1 91 91 GLY HA3 H 1 3.94 0.01 . 2 . . . . 90 . . . 5541 1 740 . 1 1 91 91 GLY N N 15 110.6 0.1 . 1 . . . . 90 . . . 5541 1 741 . 1 1 92 92 PRO HA H 1 4.43 0.01 . 1 . . . . 91 . . . 5541 1 742 . 1 1 92 92 PRO HB2 H 1 2.13 0.01 . 1 . . . . 91 . . . 5541 1 743 . 1 1 92 92 PRO HB3 H 1 2.13 0.01 . 1 . . . . 91 . . . 5541 1 744 . 1 1 92 92 PRO HG2 H 1 2.42 0.01 . 2 . . . . 91 . . . 5541 1 745 . 1 1 92 92 PRO HG3 H 1 1.97 0.01 . 2 . . . . 91 . . . 5541 1 746 . 1 1 92 92 PRO HD2 H 1 3.85 0.01 . 2 . . . . 91 . . . 5541 1 747 . 1 1 92 92 PRO HD3 H 1 3.67 0.01 . 2 . . . . 91 . . . 5541 1 748 . 1 1 93 93 ASN H H 1 8.27 0.01 . 1 . . . . 92 . . . 5541 1 749 . 1 1 93 93 ASN HA H 1 5.02 0.01 . 1 . . . . 92 . . . 5541 1 750 . 1 1 93 93 ASN HB2 H 1 3.29 0.01 . 2 . . . . 92 . . . 5541 1 751 . 1 1 93 93 ASN HB3 H 1 3.16 0.01 . 2 . . . . 92 . . . 5541 1 752 . 1 1 93 93 ASN HD21 H 1 6.98 0.01 . 2 . . . . 92 . . . 5541 1 753 . 1 1 93 93 ASN HD22 H 1 6.53 0.01 . 2 . . . . 92 . . . 5541 1 754 . 1 1 93 93 ASN N N 15 112.1 0.1 . 1 . . . . 92 . . . 5541 1 755 . 1 1 93 93 ASN ND2 N 15 109.2 0.1 . 1 . . . . 92 . . . 5541 1 756 . 1 1 94 94 LYS H H 1 7.08 0.01 . 1 . . . . 93 . . . 5541 1 757 . 1 1 94 94 LYS HA H 1 5.73 0.01 . 1 . . . . 93 . . . 5541 1 758 . 1 1 94 94 LYS HB2 H 1 2.03 0.01 . 2 . . . . 93 . . . 5541 1 759 . 1 1 94 94 LYS HB3 H 1 1.72 0.01 . 2 . . . . 93 . . . 5541 1 760 . 1 1 94 94 LYS HG2 H 1 1.38 0.01 . 2 . . . . 93 . . . 5541 1 761 . 1 1 94 94 LYS HG3 H 1 1.09 0.01 . 2 . . . . 93 . . . 5541 1 762 . 1 1 94 94 LYS HD2 H 1 1.68 0.01 . 1 . . . . 93 . . . 5541 1 763 . 1 1 94 94 LYS HD3 H 1 1.68 0.01 . 1 . . . . 93 . . . 5541 1 764 . 1 1 94 94 LYS HE2 H 1 2.92 0.01 . 2 . . . . 93 . . . 5541 1 765 . 1 1 94 94 LYS HE3 H 1 2.84 0.01 . 2 . . . . 93 . . . 5541 1 766 . 1 1 94 94 LYS N N 15 118.8 0.1 . 1 . . . . 93 . . . 5541 1 767 . 1 1 95 95 LEU H H 1 8.77 0.01 . 1 . . . . 94 . . . 5541 1 768 . 1 1 95 95 LEU HA H 1 5.30 0.01 . 1 . . . . 94 . . . 5541 1 769 . 1 1 95 95 LEU HB2 H 1 1.76 0.01 . 2 . . . . 94 . . . 5541 1 770 . 1 1 95 95 LEU HB3 H 1 1.73 0.01 . 2 . . . . 94 . . . 5541 1 771 . 1 1 95 95 LEU HG H 1 1.38 0.01 . 1 . . . . 94 . . . 5541 1 772 . 1 1 95 95 LEU HD11 H 1 0.86 0.01 . 2 . . . . 94 . . . 5541 1 773 . 1 1 95 95 LEU HD12 H 1 0.86 0.01 . 2 . . . . 94 . . . 5541 1 774 . 1 1 95 95 LEU HD13 H 1 0.86 0.01 . 2 . . . . 94 . . . 5541 1 775 . 1 1 95 95 LEU HD21 H 1 0.77 0.01 . 2 . . . . 94 . . . 5541 1 776 . 1 1 95 95 LEU HD22 H 1 0.77 0.01 . 2 . . . . 94 . . . 5541 1 777 . 1 1 95 95 LEU HD23 H 1 0.77 0.01 . 2 . . . . 94 . . . 5541 1 778 . 1 1 95 95 LEU N N 15 121.2 0.1 . 1 . . . . 94 . . . 5541 1 779 . 1 1 96 96 VAL H H 1 9.71 0.01 . 1 . . . . 95 . . . 5541 1 780 . 1 1 96 96 VAL HA H 1 4.22 0.01 . 1 . . . . 95 . . . 5541 1 781 . 1 1 96 96 VAL HB H 1 2.06 0.01 . 1 . . . . 95 . . . 5541 1 782 . 1 1 96 96 VAL HG11 H 1 0.89 0.01 . 2 . . . . 95 . . . 5541 1 783 . 1 1 96 96 VAL HG12 H 1 0.89 0.01 . 2 . . . . 95 . . . 5541 1 784 . 1 1 96 96 VAL HG13 H 1 0.89 0.01 . 2 . . . . 95 . . . 5541 1 785 . 1 1 96 96 VAL HG21 H 1 0.83 0.01 . 2 . . . . 95 . . . 5541 1 786 . 1 1 96 96 VAL HG22 H 1 0.83 0.01 . 2 . . . . 95 . . . 5541 1 787 . 1 1 96 96 VAL HG23 H 1 0.83 0.01 . 2 . . . . 95 . . . 5541 1 788 . 1 1 96 96 VAL N N 15 127.4 0.1 . 1 . . . . 95 . . . 5541 1 789 . 1 1 97 97 HIS H H 1 8.99 0.01 . 1 . . . . 96 . . . 5541 1 790 . 1 1 97 97 HIS HA H 1 5.52 0.01 . 1 . . . . 96 . . . 5541 1 791 . 1 1 97 97 HIS HB2 H 1 3.86 0.01 . 2 . . . . 96 . . . 5541 1 792 . 1 1 97 97 HIS HB3 H 1 2.80 0.01 . 2 . . . . 96 . . . 5541 1 793 . 1 1 97 97 HIS HD2 H 1 6.37 0.01 . 1 . . . . 96 . . . 5541 1 794 . 1 1 97 97 HIS HE1 H 1 7.59 0.01 . 1 . . . . 96 . . . 5541 1 795 . 1 1 97 97 HIS HE2 H 1 11.04 0.01 . 1 . . . . 96 . . . 5541 1 796 . 1 1 97 97 HIS N N 15 131.3 0.1 . 9 . . . . 96 . . . 5541 1 797 . 1 1 98 98 GLU H H 1 9.44 0.01 . 1 . . . . 97 . . . 5541 1 798 . 1 1 98 98 GLU HA H 1 4.99 0.01 . 1 . . . . 97 . . . 5541 1 799 . 1 1 98 98 GLU HB2 H 1 2.07 0.01 . 2 . . . . 97 . . . 5541 1 800 . 1 1 98 98 GLU HB3 H 1 1.89 0.01 . 2 . . . . 97 . . . 5541 1 801 . 1 1 98 98 GLU HG2 H 1 2.17 0.01 . 1 . . . . 97 . . . 5541 1 802 . 1 1 98 98 GLU HG3 H 1 2.17 0.01 . 1 . . . . 97 . . . 5541 1 803 . 1 1 98 98 GLU N N 15 127.3 0.1 . 1 . . . . 97 . . . 5541 1 804 . 1 1 99 99 GLN H H 1 8.88 0.01 . 1 . . . . 98 . . . 5541 1 805 . 1 1 99 99 GLN HA H 1 4.96 0.01 . 1 . . . . 98 . . . 5541 1 806 . 1 1 99 99 GLN HB2 H 1 2.00 0.01 . 1 . . . . 98 . . . 5541 1 807 . 1 1 99 99 GLN HB3 H 1 2.00 0.01 . 1 . . . . 98 . . . 5541 1 808 . 1 1 99 99 GLN HG2 H 1 2.36 0.01 . 1 . . . . 98 . . . 5541 1 809 . 1 1 99 99 GLN HG3 H 1 2.36 0.01 . 1 . . . . 98 . . . 5541 1 810 . 1 1 99 99 GLN N N 15 124.4 0.1 . 1 . . . . 98 . . . 5541 1 811 . 1 1 100 100 LYS H H 1 8.91 0.01 . 1 . . . . 99 . . . 5541 1 812 . 1 1 100 100 LYS HA H 1 4.41 0.01 . 1 . . . . 99 . . . 5541 1 813 . 1 1 100 100 LYS HB2 H 1 1.90 0.01 . 2 . . . . 99 . . . 5541 1 814 . 1 1 100 100 LYS HB3 H 1 1.83 0.01 . 2 . . . . 99 . . . 5541 1 815 . 1 1 100 100 LYS HG2 H 1 1.39 0.01 . 1 . . . . 99 . . . 5541 1 816 . 1 1 100 100 LYS HG3 H 1 1.39 0.01 . 1 . . . . 99 . . . 5541 1 817 . 1 1 100 100 LYS HD2 H 1 1.61 0.01 . 1 . . . . 99 . . . 5541 1 818 . 1 1 100 100 LYS HD3 H 1 1.61 0.01 . 1 . . . . 99 . . . 5541 1 819 . 1 1 100 100 LYS HE2 H 1 2.80 0.01 . 1 . . . . 99 . . . 5541 1 820 . 1 1 100 100 LYS HE3 H 1 2.80 0.01 . 1 . . . . 99 . . . 5541 1 821 . 1 1 100 100 LYS N N 15 123.1 0.1 . 1 . . . . 99 . . . 5541 1 822 . 1 1 101 101 GLY H H 1 8.31 0.01 . 1 . . . . 100 . . . 5541 1 823 . 1 1 101 101 GLY HA2 H 1 4.03 0.01 . 2 . . . . 100 . . . 5541 1 824 . 1 1 101 101 GLY HA3 H 1 3.94 0.01 . 2 . . . . 100 . . . 5541 1 825 . 1 1 101 101 GLY N N 15 123.0 0.1 . 9 . . . . 100 . . . 5541 1 826 . 1 1 102 102 ASP H H 1 8.34 0.01 . 1 . . . . 101 . . . 5541 1 827 . 1 1 102 102 ASP HA H 1 4.19 0.01 . 1 . . . . 101 . . . 5541 1 828 . 1 1 102 102 ASP HB2 H 1 2.37 0.01 . 2 . . . . 101 . . . 5541 1 829 . 1 1 102 102 ASP HB3 H 1 2.33 0.01 . 2 . . . . 101 . . . 5541 1 830 . 1 1 103 103 HIS H H 1 8.20 0.01 . 1 . . . . 102 . . . 5541 1 831 . 1 1 103 103 HIS HA H 1 4.93 0.01 . 1 . . . . 102 . . . 5541 1 832 . 1 1 103 103 HIS HB2 H 1 2.92 0.01 . 2 . . . . 102 . . . 5541 1 833 . 1 1 103 103 HIS HB3 H 1 2.84 0.01 . 2 . . . . 102 . . . 5541 1 834 . 1 1 103 103 HIS HD2 H 1 7.16 0.01 . 1 . . . . 102 . . . 5541 1 835 . 1 1 103 103 HIS HE1 H 1 8.44 0.01 . 1 . . . . 102 . . . 5541 1 836 . 1 1 103 103 HIS N N 15 115.4 0.1 . 9 . . . . 102 . . . 5541 1 837 . 1 1 104 104 PRO HA H 1 4.54 0.01 . 1 . . . . 103 . . . 5541 1 838 . 1 1 104 104 PRO HB2 H 1 2.35 0.01 . 1 . . . . 103 . . . 5541 1 839 . 1 1 104 104 PRO HB3 H 1 2.35 0.01 . 1 . . . . 103 . . . 5541 1 840 . 1 1 104 104 PRO HG2 H 1 2.14 0.01 . 1 . . . . 103 . . . 5541 1 841 . 1 1 104 104 PRO HG3 H 1 2.14 0.01 . 1 . . . . 103 . . . 5541 1 842 . 1 1 104 104 PRO HD2 H 1 3.63 0.01 . 2 . . . . 103 . . . 5541 1 843 . 1 1 104 104 PRO HD3 H 1 3.60 0.01 . 2 . . . . 103 . . . 5541 1 844 . 1 1 105 105 THR H H 1 8.02 0.01 . 1 . . . . 104 . . . 5541 1 845 . 1 1 105 105 THR HA H 1 5.00 0.01 . 1 . . . . 104 . . . 5541 1 846 . 1 1 105 105 THR HB H 1 4.00 0.01 . 1 . . . . 104 . . . 5541 1 847 . 1 1 105 105 THR HG21 H 1 1.03 0.01 . 1 . . . . 104 . . . 5541 1 848 . 1 1 105 105 THR HG22 H 1 1.03 0.01 . 1 . . . . 104 . . . 5541 1 849 . 1 1 105 105 THR HG23 H 1 1.03 0.01 . 1 . . . . 104 . . . 5541 1 850 . 1 1 105 105 THR N N 15 120.8 0.1 . 1 . . . . 104 . . . 5541 1 851 . 1 1 106 106 ILE H H 1 8.67 0.01 . 1 . . . . 105 . . . 5541 1 852 . 1 1 106 106 ILE HA H 1 4.97 0.01 . 1 . . . . 105 . . . 5541 1 853 . 1 1 106 106 ILE HB H 1 1.79 0.01 . 1 . . . . 105 . . . 5541 1 854 . 1 1 106 106 ILE HG21 H 1 0.82 0.01 . 1 . . . . 105 . . . 5541 1 855 . 1 1 106 106 ILE HG22 H 1 0.82 0.01 . 1 . . . . 105 . . . 5541 1 856 . 1 1 106 106 ILE HG23 H 1 0.82 0.01 . 1 . . . . 105 . . . 5541 1 857 . 1 1 106 106 ILE N N 15 126.7 0.1 . 1 . . . . 105 . . . 5541 1 858 . 1 1 107 107 ILE H H 1 9.81 0.01 . 1 . . . . 106 . . . 5541 1 859 . 1 1 107 107 ILE HA H 1 4.98 0.01 . 1 . . . . 106 . . . 5541 1 860 . 1 1 107 107 ILE HB H 1 1.63 0.01 . 1 . . . . 106 . . . 5541 1 861 . 1 1 107 107 ILE HG12 H 1 1.25 0.01 . 1 . . . . 106 . . . 5541 1 862 . 1 1 107 107 ILE HG13 H 1 1.25 0.01 . 1 . . . . 106 . . . 5541 1 863 . 1 1 107 107 ILE HG21 H 1 0.61 0.01 . 1 . . . . 106 . . . 5541 1 864 . 1 1 107 107 ILE HG22 H 1 0.61 0.01 . 1 . . . . 106 . . . 5541 1 865 . 1 1 107 107 ILE HG23 H 1 0.61 0.01 . 1 . . . . 106 . . . 5541 1 866 . 1 1 107 107 ILE HD11 H 1 0.30 0.01 . 1 . . . . 106 . . . 5541 1 867 . 1 1 107 107 ILE HD12 H 1 0.30 0.01 . 1 . . . . 106 . . . 5541 1 868 . 1 1 107 107 ILE HD13 H 1 0.30 0.01 . 1 . . . . 106 . . . 5541 1 869 . 1 1 107 107 ILE N N 15 127.3 0.1 . 1 . . . . 106 . . . 5541 1 870 . 1 1 108 108 ILE H H 1 10.05 0.01 . 1 . . . . 107 . . . 5541 1 871 . 1 1 108 108 ILE HA H 1 4.78 0.01 . 1 . . . . 107 . . . 5541 1 872 . 1 1 108 108 ILE HB H 1 1.94 0.01 . 1 . . . . 107 . . . 5541 1 873 . 1 1 108 108 ILE HG12 H 1 1.53 0.01 . 2 . . . . 107 . . . 5541 1 874 . 1 1 108 108 ILE HG13 H 1 1.12 0.01 . 2 . . . . 107 . . . 5541 1 875 . 1 1 108 108 ILE HG21 H 1 0.92 0.01 . 1 . . . . 107 . . . 5541 1 876 . 1 1 108 108 ILE HG22 H 1 0.92 0.01 . 1 . . . . 107 . . . 5541 1 877 . 1 1 108 108 ILE HG23 H 1 0.92 0.01 . 1 . . . . 107 . . . 5541 1 878 . 1 1 108 108 ILE HD11 H 1 0.84 0.01 . 1 . . . . 107 . . . 5541 1 879 . 1 1 108 108 ILE HD12 H 1 0.84 0.01 . 1 . . . . 107 . . . 5541 1 880 . 1 1 108 108 ILE HD13 H 1 0.84 0.01 . 1 . . . . 107 . . . 5541 1 881 . 1 1 108 108 ILE N N 15 133.9 0.1 . 1 . . . . 107 . . . 5541 1 882 . 1 1 109 109 ARG H H 1 8.59 0.01 . 1 . . . . 108 . . . 5541 1 883 . 1 1 109 109 ARG HA H 1 4.68 0.01 . 9 . . . . 108 . . . 5541 1 884 . 1 1 109 109 ARG HB2 H 1 1.18 0.01 . 9 . . . . 108 . . . 5541 1 885 . 1 1 109 109 ARG HB3 H 1 1.18 0.01 . 9 . . . . 108 . . . 5541 1 886 . 1 1 109 109 ARG N N 15 125.0 0.1 . 1 . . . . 108 . . . 5541 1 887 . 1 1 110 110 GLU H H 1 8.59 0.01 . 1 . . . . 109 . . . 5541 1 888 . 1 1 110 110 GLU HA H 1 4.85 0.01 . 1 . . . . 109 . . . 5541 1 889 . 1 1 110 110 GLU HB2 H 1 1.93 0.01 . 2 . . . . 109 . . . 5541 1 890 . 1 1 110 110 GLU HB3 H 1 1.54 0.01 . 2 . . . . 109 . . . 5541 1 891 . 1 1 110 110 GLU HG2 H 1 2.04 0.01 . 1 . . . . 109 . . . 5541 1 892 . 1 1 110 110 GLU HG3 H 1 2.04 0.01 . 1 . . . . 109 . . . 5541 1 893 . 1 1 110 110 GLU N N 15 123.0 0.1 . 9 . . . . 109 . . . 5541 1 894 . 1 1 111 111 PHE H H 1 8.77 0.01 . 1 . . . . 110 . . . 5541 1 895 . 1 1 111 111 PHE HA H 1 4.21 0.01 . 1 . . . . 110 . . . 5541 1 896 . 1 1 111 111 PHE HB2 H 1 2.37 0.01 . 2 . . . . 110 . . . 5541 1 897 . 1 1 111 111 PHE HB3 H 1 2.19 0.01 . 2 . . . . 110 . . . 5541 1 898 . 1 1 111 111 PHE HD1 H 1 7.25 0.01 . 1 . . . . 110 . . . 5541 1 899 . 1 1 111 111 PHE HD2 H 1 7.25 0.01 . 1 . . . . 110 . . . 5541 1 900 . 1 1 111 111 PHE HE1 H 1 6.96 0.01 . 1 . . . . 110 . . . 5541 1 901 . 1 1 111 111 PHE HE2 H 1 6.96 0.01 . 1 . . . . 110 . . . 5541 1 902 . 1 1 111 111 PHE HZ H 1 6.77 0.01 . 1 . . . . 110 . . . 5541 1 903 . 1 1 111 111 PHE N N 15 126.3 0.1 . 1 . . . . 110 . . . 5541 1 904 . 1 1 112 112 SER H H 1 8.31 0.01 . 1 . . . . 111 . . . 5541 1 905 . 1 1 112 112 SER HA H 1 4.27 0.01 . 1 . . . . 111 . . . 5541 1 906 . 1 1 112 112 SER HB2 H 1 4.01 0.01 . 1 . . . . 111 . . . 5541 1 907 . 1 1 112 112 SER HB3 H 1 4.01 0.01 . 1 . . . . 111 . . . 5541 1 908 . 1 1 113 113 LYS H H 1 9.14 0.01 . 1 . . . . 112 . . . 5541 1 909 . 1 1 113 113 LYS HA H 1 4.22 0.01 . 1 . . . . 112 . . . 5541 1 910 . 1 1 113 113 LYS HB2 H 1 2.06 0.01 . 2 . . . . 112 . . . 5541 1 911 . 1 1 113 113 LYS HB3 H 1 1.97 0.01 . 2 . . . . 112 . . . 5541 1 912 . 1 1 113 113 LYS HG2 H 1 1.73 0.01 . 2 . . . . 112 . . . 5541 1 913 . 1 1 113 113 LYS HG3 H 1 1.62 0.01 . 2 . . . . 112 . . . 5541 1 914 . 1 1 113 113 LYS HD2 H 1 1.83 0.01 . 1 . . . . 112 . . . 5541 1 915 . 1 1 113 113 LYS HD3 H 1 1.83 0.01 . 1 . . . . 112 . . . 5541 1 916 . 1 1 113 113 LYS HE2 H 1 3.06 0.01 . 1 . . . . 112 . . . 5541 1 917 . 1 1 113 113 LYS HE3 H 1 3.06 0.01 . 1 . . . . 112 . . . 5541 1 918 . 1 1 113 113 LYS N N 15 121.0 0.1 . 9 . . . . 112 . . . 5541 1 919 . 1 1 114 114 GLU H H 1 8.11 0.01 . 1 . . . . 113 . . . 5541 1 920 . 1 1 114 114 GLU HA H 1 4.49 0.01 . 1 . . . . 113 . . . 5541 1 921 . 1 1 114 114 GLU HB2 H 1 2.17 0.01 . 2 . . . . 113 . . . 5541 1 922 . 1 1 114 114 GLU HB3 H 1 2.03 0.01 . 2 . . . . 113 . . . 5541 1 923 . 1 1 114 114 GLU HG2 H 1 2.43 0.01 . 2 . . . . 113 . . . 5541 1 924 . 1 1 114 114 GLU HG3 H 1 2.27 0.01 . 2 . . . . 113 . . . 5541 1 925 . 1 1 114 114 GLU N N 15 110.8 0.1 . 1 . . . . 113 . . . 5541 1 926 . 1 1 115 115 GLN H H 1 7.95 0.01 . 1 . . . . 114 . . . 5541 1 927 . 1 1 115 115 GLN HA H 1 5.37 0.01 . 1 . . . . 114 . . . 5541 1 928 . 1 1 115 115 GLN HB2 H 1 1.91 0.01 . 1 . . . . 114 . . . 5541 1 929 . 1 1 115 115 GLN HB3 H 1 1.91 0.01 . 1 . . . . 114 . . . 5541 1 930 . 1 1 115 115 GLN HG2 H 1 2.16 0.01 . 1 . . . . 114 . . . 5541 1 931 . 1 1 115 115 GLN HG3 H 1 2.16 0.01 . 1 . . . . 114 . . . 5541 1 932 . 1 1 115 115 GLN N N 15 115.1 0.1 . 9 . . . . 114 . . . 5541 1 933 . 1 1 116 116 CYS H H 1 8.73 0.01 . 1 . . . . 115 . . . 5541 1 934 . 1 1 116 116 CYS HA H 1 4.64 0.01 . 1 . . . . 115 . . . 5541 1 935 . 1 1 116 116 CYS HB2 H 1 -0.47 0.01 . 1 . . . . 115 . . . 5541 1 936 . 1 1 116 116 CYS HB3 H 1 0.85 0.01 . 1 . . . . 115 . . . 5541 1 937 . 1 1 116 116 CYS HG H 1 1.51 0.01 . 1 . . . . 115 . . . 5541 1 938 . 1 1 116 116 CYS N N 15 121.5 0.1 . 1 . . . . 115 . . . 5541 1 939 . 1 1 117 117 VAL H H 1 8.39 0.01 . 1 . . . . 116 . . . 5541 1 940 . 1 1 117 117 VAL HA H 1 4.31 0.01 . 1 . . . . 116 . . . 5541 1 941 . 1 1 117 117 VAL HB H 1 1.92 0.01 . 1 . . . . 116 . . . 5541 1 942 . 1 1 117 117 VAL HG11 H 1 0.87 0.01 . 2 . . . . 116 . . . 5541 1 943 . 1 1 117 117 VAL HG12 H 1 0.87 0.01 . 2 . . . . 116 . . . 5541 1 944 . 1 1 117 117 VAL HG13 H 1 0.87 0.01 . 2 . . . . 116 . . . 5541 1 945 . 1 1 117 117 VAL HG21 H 1 0.79 0.01 . 2 . . . . 116 . . . 5541 1 946 . 1 1 117 117 VAL HG22 H 1 0.79 0.01 . 2 . . . . 116 . . . 5541 1 947 . 1 1 117 117 VAL HG23 H 1 0.79 0.01 . 2 . . . . 116 . . . 5541 1 948 . 1 1 117 117 VAL N N 15 129.0 0.1 . 9 . . . . 116 . . . 5541 1 949 . 1 1 118 118 ILE H H 1 9.49 0.01 . 1 . . . . 117 . . . 5541 1 950 . 1 1 118 118 ILE HA H 1 5.32 0.01 . 1 . . . . 117 . . . 5541 1 951 . 1 1 118 118 ILE HB H 1 2.10 0.01 . 1 . . . . 117 . . . 5541 1 952 . 1 1 118 118 ILE HG12 H 1 1.53 0.01 . 2 . . . . 117 . . . 5541 1 953 . 1 1 118 118 ILE HG13 H 1 0.87 0.01 . 2 . . . . 117 . . . 5541 1 954 . 1 1 118 118 ILE HG21 H 1 0.71 0.01 . 1 . . . . 117 . . . 5541 1 955 . 1 1 118 118 ILE HG22 H 1 0.71 0.01 . 1 . . . . 117 . . . 5541 1 956 . 1 1 118 118 ILE HG23 H 1 0.71 0.01 . 1 . . . . 117 . . . 5541 1 957 . 1 1 118 118 ILE HD11 H 1 0.51 0.01 . 1 . . . . 117 . . . 5541 1 958 . 1 1 118 118 ILE HD12 H 1 0.51 0.01 . 1 . . . . 117 . . . 5541 1 959 . 1 1 118 118 ILE HD13 H 1 0.51 0.01 . 1 . . . . 117 . . . 5541 1 960 . 1 1 118 118 ILE N N 15 132.0 0.1 . 1 . . . . 117 . . . 5541 1 961 . 1 1 119 119 THR H H 1 9.13 0.01 . 1 . . . . 118 . . . 5541 1 962 . 1 1 119 119 THR HA H 1 4.91 0.01 . 1 . . . . 118 . . . 5541 1 963 . 1 1 119 119 THR HB H 1 3.89 0.01 . 1 . . . . 118 . . . 5541 1 964 . 1 1 119 119 THR HG21 H 1 1.08 0.01 . 1 . . . . 118 . . . 5541 1 965 . 1 1 119 119 THR HG22 H 1 1.08 0.01 . 1 . . . . 118 . . . 5541 1 966 . 1 1 119 119 THR HG23 H 1 1.08 0.01 . 1 . . . . 118 . . . 5541 1 967 . 1 1 119 119 THR N N 15 124.7 0.1 . 1 . . . . 118 . . . 5541 1 968 . 1 1 120 120 ILE H H 1 9.54 0.01 . 1 . . . . 119 . . . 5541 1 969 . 1 1 120 120 ILE HA H 1 4.50 0.01 . 1 . . . . 119 . . . 5541 1 970 . 1 1 120 120 ILE HB H 1 2.09 0.01 . 1 . . . . 119 . . . 5541 1 971 . 1 1 120 120 ILE HG21 H 1 0.71 0.01 . 1 . . . . 119 . . . 5541 1 972 . 1 1 120 120 ILE HG22 H 1 0.71 0.01 . 1 . . . . 119 . . . 5541 1 973 . 1 1 120 120 ILE HG23 H 1 0.71 0.01 . 1 . . . . 119 . . . 5541 1 974 . 1 1 120 120 ILE N N 15 128.6 0.1 . 1 . . . . 119 . . . 5541 1 975 . 1 1 121 121 LYS H H 1 9.39 0.01 . 1 . . . . 120 . . . 5541 1 976 . 1 1 121 121 LYS HA H 1 5.28 0.01 . 1 . . . . 120 . . . 5541 1 977 . 1 1 121 121 LYS HB2 H 1 1.90 0.01 . 2 . . . . 120 . . . 5541 1 978 . 1 1 121 121 LYS HB3 H 1 1.68 0.01 . 2 . . . . 120 . . . 5541 1 979 . 1 1 121 121 LYS HG2 H 1 1.31 0.01 . 1 . . . . 120 . . . 5541 1 980 . 1 1 121 121 LYS HG3 H 1 1.31 0.01 . 1 . . . . 120 . . . 5541 1 981 . 1 1 121 121 LYS HD2 H 1 1.65 0.01 . 1 . . . . 120 . . . 5541 1 982 . 1 1 121 121 LYS HD3 H 1 1.65 0.01 . 1 . . . . 120 . . . 5541 1 983 . 1 1 121 121 LYS HE2 H 1 2.87 0.01 . 1 . . . . 120 . . . 5541 1 984 . 1 1 121 121 LYS HE3 H 1 2.87 0.01 . 1 . . . . 120 . . . 5541 1 985 . 1 1 121 121 LYS N N 15 125.4 0.1 . 1 . . . . 120 . . . 5541 1 986 . 1 1 122 122 LEU H H 1 9.53 0.01 . 1 . . . . 121 . . . 5541 1 987 . 1 1 122 122 LEU HA H 1 4.51 0.01 . 1 . . . . 121 . . . 5541 1 988 . 1 1 122 122 LEU HB2 H 1 1.37 0.01 . 1 . . . . 121 . . . 5541 1 989 . 1 1 122 122 LEU HB3 H 1 1.37 0.01 . 1 . . . . 121 . . . 5541 1 990 . 1 1 122 122 LEU HG H 1 1.37 0.01 . 1 . . . . 121 . . . 5541 1 991 . 1 1 122 122 LEU HD11 H 1 0.57 0.01 . 1 . . . . 121 . . . 5541 1 992 . 1 1 122 122 LEU HD12 H 1 0.57 0.01 . 1 . . . . 121 . . . 5541 1 993 . 1 1 122 122 LEU HD13 H 1 0.57 0.01 . 1 . . . . 121 . . . 5541 1 994 . 1 1 122 122 LEU HD21 H 1 -0.03 0.01 . 1 . . . . 121 . . . 5541 1 995 . 1 1 122 122 LEU HD22 H 1 -0.03 0.01 . 1 . . . . 121 . . . 5541 1 996 . 1 1 122 122 LEU HD23 H 1 -0.03 0.01 . 1 . . . . 121 . . . 5541 1 997 . 1 1 122 122 LEU N N 15 125.6 0.1 . 1 . . . . 121 . . . 5541 1 998 . 1 1 123 123 GLY H H 1 9.08 0.01 . 1 . . . . 122 . . . 5541 1 999 . 1 1 123 123 GLY HA2 H 1 3.99 0.01 . 2 . . . . 122 . . . 5541 1 1000 . 1 1 123 123 GLY HA3 H 1 3.69 0.01 . 2 . . . . 122 . . . 5541 1 1001 . 1 1 123 123 GLY N N 15 118.2 0.1 . 9 . . . . 122 . . . 5541 1 1002 . 1 1 124 124 ASP H H 1 8.70 0.01 . 1 . . . . 123 . . . 5541 1 1003 . 1 1 124 124 ASP HA H 1 4.62 0.01 . 1 . . . . 123 . . . 5541 1 1004 . 1 1 124 124 ASP HB2 H 1 2.78 0.01 . 2 . . . . 123 . . . 5541 1 1005 . 1 1 124 124 ASP HB3 H 1 2.62 0.01 . 2 . . . . 123 . . . 5541 1 1006 . 1 1 125 125 LEU H H 1 8.17 0.01 . 1 . . . . 124 . . . 5541 1 1007 . 1 1 125 125 LEU HA H 1 4.37 0.01 . 1 . . . . 124 . . . 5541 1 1008 . 1 1 125 125 LEU HB2 H 1 2.16 0.01 . 2 . . . . 124 . . . 5541 1 1009 . 1 1 125 125 LEU HB3 H 1 1.66 0.01 . 2 . . . . 124 . . . 5541 1 1010 . 1 1 125 125 LEU HG H 1 1.62 0.01 . 1 . . . . 124 . . . 5541 1 1011 . 1 1 125 125 LEU HD11 H 1 0.90 0.01 . 1 . . . . 124 . . . 5541 1 1012 . 1 1 125 125 LEU HD12 H 1 0.90 0.01 . 1 . . . . 124 . . . 5541 1 1013 . 1 1 125 125 LEU HD13 H 1 0.90 0.01 . 1 . . . . 124 . . . 5541 1 1014 . 1 1 125 125 LEU HD21 H 1 0.90 0.01 . 1 . . . . 124 . . . 5541 1 1015 . 1 1 125 125 LEU HD22 H 1 0.90 0.01 . 1 . . . . 124 . . . 5541 1 1016 . 1 1 125 125 LEU HD23 H 1 0.90 0.01 . 1 . . . . 124 . . . 5541 1 1017 . 1 1 125 125 LEU N N 15 124.7 0.1 . 1 . . . . 124 . . . 5541 1 1018 . 1 1 126 126 VAL H H 1 8.31 0.01 . 1 . . . . 125 . . . 5541 1 1019 . 1 1 126 126 VAL HA H 1 5.09 0.01 . 1 . . . . 125 . . . 5541 1 1020 . 1 1 126 126 VAL HB H 1 1.87 0.01 . 1 . . . . 125 . . . 5541 1 1021 . 1 1 126 126 VAL HG11 H 1 0.85 0.01 . 2 . . . . 125 . . . 5541 1 1022 . 1 1 126 126 VAL HG12 H 1 0.85 0.01 . 2 . . . . 125 . . . 5541 1 1023 . 1 1 126 126 VAL HG13 H 1 0.85 0.01 . 2 . . . . 125 . . . 5541 1 1024 . 1 1 126 126 VAL HG21 H 1 0.78 0.01 . 2 . . . . 125 . . . 5541 1 1025 . 1 1 126 126 VAL HG22 H 1 0.78 0.01 . 2 . . . . 125 . . . 5541 1 1026 . 1 1 126 126 VAL HG23 H 1 0.78 0.01 . 2 . . . . 125 . . . 5541 1 1027 . 1 1 126 126 VAL N N 15 126.4 0.1 . 1 . . . . 125 . . . 5541 1 1028 . 1 1 127 127 ALA H H 1 9.52 0.01 . 1 . . . . 126 . . . 5541 1 1029 . 1 1 127 127 ALA HA H 1 5.09 0.01 . 1 . . . . 126 . . . 5541 1 1030 . 1 1 127 127 ALA HB1 H 1 1.32 0.01 . 1 . . . . 126 . . . 5541 1 1031 . 1 1 127 127 ALA HB2 H 1 1.32 0.01 . 1 . . . . 126 . . . 5541 1 1032 . 1 1 127 127 ALA HB3 H 1 1.32 0.01 . 1 . . . . 126 . . . 5541 1 1033 . 1 1 127 127 ALA N N 15 131.7 0.1 . 1 . . . . 126 . . . 5541 1 1034 . 1 1 128 128 THR H H 1 8.47 0.01 . 1 . . . . 127 . . . 5541 1 1035 . 1 1 128 128 THR HA H 1 5.50 0.01 . 1 . . . . 127 . . . 5541 1 1036 . 1 1 128 128 THR HB H 1 3.85 0.01 . 1 . . . . 127 . . . 5541 1 1037 . 1 1 128 128 THR HG21 H 1 1.10 0.01 . 1 . . . . 127 . . . 5541 1 1038 . 1 1 128 128 THR HG22 H 1 1.10 0.01 . 1 . . . . 127 . . . 5541 1 1039 . 1 1 128 128 THR HG23 H 1 1.10 0.01 . 1 . . . . 127 . . . 5541 1 1040 . 1 1 128 128 THR N N 15 115.1 0.1 . 1 . . . . 127 . . . 5541 1 1041 . 1 1 129 129 ARG H H 1 9.61 0.01 . 1 . . . . 128 . . . 5541 1 1042 . 1 1 129 129 ARG HA H 1 4.84 0.01 . 1 . . . . 128 . . . 5541 1 1043 . 1 1 129 129 ARG HB2 H 1 1.73 0.01 . 1 . . . . 128 . . . 5541 1 1044 . 1 1 129 129 ARG HB3 H 1 1.73 0.01 . 1 . . . . 128 . . . 5541 1 1045 . 1 1 129 129 ARG HG2 H 1 1.54 0.01 . 2 . . . . 128 . . . 5541 1 1046 . 1 1 129 129 ARG N N 15 122.5 0.1 . 1 . . . . 128 . . . 5541 1 1047 . 1 1 130 130 ILE H H 1 9.06 0.01 . 1 . . . . 129 . . . 5541 1 1048 . 1 1 130 130 ILE HA H 1 4.48 0.01 . 1 . . . . 129 . . . 5541 1 1049 . 1 1 130 130 ILE HB H 1 1.95 0.01 . 1 . . . . 129 . . . 5541 1 1050 . 1 1 130 130 ILE HG21 H 1 0.76 0.01 . 1 . . . . 129 . . . 5541 1 1051 . 1 1 130 130 ILE HG22 H 1 0.76 0.01 . 1 . . . . 129 . . . 5541 1 1052 . 1 1 130 130 ILE HG23 H 1 0.76 0.01 . 1 . . . . 129 . . . 5541 1 1053 . 1 1 131 131 TYR H H 1 8.87 0.01 . 1 . . . . 130 . . . 5541 1 1054 . 1 1 131 131 TYR HA H 1 4.94 0.01 . 1 . . . . 130 . . . 5541 1 1055 . 1 1 131 131 TYR HB2 H 1 2.96 0.01 . 2 . . . . 130 . . . 5541 1 1056 . 1 1 131 131 TYR HB3 H 1 2.53 0.01 . 2 . . . . 130 . . . 5541 1 1057 . 1 1 131 131 TYR HD1 H 1 6.98 0.01 . 1 . . . . 130 . . . 5541 1 1058 . 1 1 131 131 TYR HD2 H 1 6.98 0.01 . 1 . . . . 130 . . . 5541 1 1059 . 1 1 131 131 TYR HE1 H 1 6.45 0.01 . 1 . . . . 130 . . . 5541 1 1060 . 1 1 131 131 TYR HE2 H 1 6.45 0.01 . 1 . . . . 130 . . . 5541 1 1061 . 1 1 131 131 TYR N N 15 127.4 0.1 . 1 . . . . 130 . . . 5541 1 1062 . 1 1 132 132 LYS H H 1 9.06 0.01 . 1 . . . . 131 . . . 5541 1 1063 . 1 1 132 132 LYS HA H 1 5.10 0.01 . 1 . . . . 131 . . . 5541 1 1064 . 1 1 132 132 LYS HB2 H 1 2.05 0.01 . 2 . . . . 131 . . . 5541 1 1065 . 1 1 132 132 LYS HB3 H 1 1.90 0.01 . 2 . . . . 131 . . . 5541 1 1066 . 1 1 132 132 LYS HG2 H 1 1.51 0.01 . 1 . . . . 131 . . . 5541 1 1067 . 1 1 132 132 LYS HG3 H 1 1.51 0.01 . 1 . . . . 131 . . . 5541 1 1068 . 1 1 132 132 LYS HD2 H 1 1.74 0.01 . 1 . . . . 131 . . . 5541 1 1069 . 1 1 132 132 LYS HD3 H 1 1.74 0.01 . 1 . . . . 131 . . . 5541 1 1070 . 1 1 132 132 LYS HE2 H 1 3.01 0.01 . 2 . . . . 131 . . . 5541 1 1071 . 1 1 132 132 LYS HE3 H 1 2.96 0.01 . 2 . . . . 131 . . . 5541 1 1072 . 1 1 132 132 LYS N N 15 122.3 0.1 . 1 . . . . 131 . . . 5541 1 1073 . 1 1 133 133 ALA H H 1 8.43 0.01 . 1 . . . . 132 . . . 5541 1 1074 . 1 1 133 133 ALA HA H 1 4.45 0.01 . 1 . . . . 132 . . . 5541 1 1075 . 1 1 133 133 ALA HB1 H 1 1.33 0.01 . 1 . . . . 132 . . . 5541 1 1076 . 1 1 133 133 ALA HB2 H 1 1.33 0.01 . 1 . . . . 132 . . . 5541 1 1077 . 1 1 133 133 ALA HB3 H 1 1.33 0.01 . 1 . . . . 132 . . . 5541 1 1078 . 1 1 133 133 ALA N N 15 129.1 0.1 . 1 . . . . 132 . . . 5541 1 1079 . 1 1 134 134 GLN H H 1 8.37 0.01 . 1 . . . . 133 . . . 5541 1 1080 . 1 1 134 134 GLN HA H 1 4.25 0.01 . 1 . . . . 133 . . . 5541 1 1081 . 1 1 134 134 GLN HB2 H 1 2.16 0.01 . 2 . . . . 133 . . . 5541 1 1082 . 1 1 134 134 GLN HB3 H 1 1.93 0.01 . 2 . . . . 133 . . . 5541 1 1083 . 1 1 134 134 GLN HG2 H 1 2.34 0.01 . 2 . . . . 133 . . . 5541 1 1084 . 1 1 134 134 GLN HG3 H 1 2.25 0.01 . 2 . . . . 133 . . . 5541 1 1085 . 1 1 134 134 GLN HE21 H 1 7.15 0.01 . 2 . . . . 133 . . . 5541 1 1086 . 1 1 134 134 GLN HE22 H 1 6.88 0.01 . 2 . . . . 133 . . . 5541 1 1087 . 1 1 134 134 GLN N N 15 126.7 0.1 . 1 . . . . 133 . . . 5541 1 1088 . 1 1 134 134 GLN NE2 N 15 112.2 0.1 . 1 . . . . 133 . . . 5541 1 stop_ save_