data_4136 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4136 _Entry.Title ; Chemical Shift Assignments, 3JHNHA Coupling Constants and Secondary Structure of E.coli Multidrug Resistance Protein (EmrE) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-04-23 _Entry.Accession_date 1998-04-23 _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 ; The data presented are for the integral membrane protein E. Coli multidrug resistance protein E (EmrE), a proton-coupled mulitdrug antiporter. A mixed solvent system (chloroform:methanol:water 6:6:1 by volume) has been used to overcome the problems of low aqueous solubility. ; _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 Manfred Schwaiger . . . 4136 2 Mario Lebendiker . . . 4136 3 Hagit Yerushalmi . . . 4136 4 Murray Coles . . . 4136 5 Adriane Groeger . . . 4136 6 Christian Schwarz . . . 4136 7 Shimon Schuldiner . . . 4136 8 Horst Kessler . . . 4136 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4136 coupling_constants 1 4136 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 4136 '15N chemical shifts' 113 4136 '1H chemical shifts' 739 4136 'coupling constants' 73 4136 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 . . 1998-07-02 . update author . 4136 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4136 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98351559 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Schwaiger, M., Lebendiker, M., Yerushalmi, H., Coles, M., Groeger, A., Schwarz, C., Schuldiner, S., Horst, K. , "NMR-Investigations of the Multidrug Transporter EmrE, an Integral Membrane Protein," Eur. J. Biochem. 254, 610-619 (1998). ; _Citation.Title ; NMR-Investigations of the Multidrug Transporter EmrE, an Integral Membrane Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue 254 _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 610 _Citation.Page_last 619 _Citation.Year 1998 _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 Manfred Schwaiger . . . 4136 1 2 Mario Lebendiker . . . 4136 1 3 Hagit Yerushalmi . . . 4136 1 4 Murray Coles . . . 4136 1 5 Adriane Groeger . . . 4136 1 6 Christian Schwarz . . . 4136 1 7 Shimon Schuldiner . . . 4136 1 8 Horst Kessler . . . 4136 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'coupling constants' 4136 1 EmrE 4136 1 'integral membrane protein' 4136 1 'mulitdrug antiporter' 4136 1 'multidrug resitance' 4136 1 NMR 4136 1 protein 4136 1 'resonance assignment' 4136 1 'secondary structure' 4136 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 4136 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Schwaiger, M., Riemer,C., Kessler,H. (1998) Random coil 1H and 13C chemical shifts in chloroform/methanol mixtures. Submitted for publication ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EmrE _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EmrE _Assembly.Entry_ID 4136 _Assembly.ID 1 _Assembly.Name 'E. coli multidrug resistance protein E' _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 . _Assembly.Molecular_mass 12000 _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 4136 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 EmrE 1 $EmrE . . . native . . . . . 4136 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'E. coli multidrug resistance protein E' system 4136 1 EmrE abbreviation 4136 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'multidrug antiporter' 4136 1 'multidrug resistance' 4136 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EmrE _Entity.Sf_category entity _Entity.Sf_framecode EmrE _Entity.Entry_ID 4136 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'E. coli Multidrug resistance protein E' _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 ; MNPYIYLGGAILAEVIGTTL MKFSEGFTRLWPSVGTIICY CASFWLLAQTLAYIPTGIAY AIWSGVGIVLISLLSWGFFG QRLDLPAIIGMMLICAGVLI INLLSRSTPH ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Disulphide bridging pattern (if any) is unknown' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-17 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2I68 . "Cryo-Em Based Theoretical Model Structure Of Transmembrane Domain Of The Multidrug-Resistance Antiporter From E. Coli Emre" . . . . . 100.00 137 100.00 100.00 5.10e-71 . . . . 4136 1 2 no PDB 3B5D . "Emre Multidrug Transporter In Complex With Tpp, C2 Crystal Form" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 3 no PDB 3B61 . "Emre Multidrug Transporter, Apo Crystal Form" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 4 no PDB 3B62 . "Emre Multidrug Transporter In Complex With P4p, P21 Crystal Form" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 5 no DBJ BAB35037 . "integral membrane drug resistance protein EmrE [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 110 98.18 100.00 7.27e-70 . . . . 4136 1 6 no DBJ BAE76318 . "multidrug resistance protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 7 no DBJ BAG76102 . "hypothetical phage protein [Escherichia coli SE11]" . . . . . 100.00 110 99.09 100.00 5.24e-70 . . . . 4136 1 8 no DBJ BAG77691 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 165 98.18 99.09 4.75e-69 . . . . 4136 1 9 no DBJ BAI36380 . "integral membrane drug resistance protein EmrE [Escherichia coli O111:H- str. 11128]" . . . . . 100.00 110 98.18 99.09 2.47e-69 . . . . 4136 1 10 no EMBL CAA77936 . "ethidium resistance [Escherichia coli]" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 11 no EMBL CAP75647 . "Multidrug transporter emrE [Escherichia coli LF82]" . . . . . 100.00 110 99.09 100.00 5.24e-70 . . . . 4136 1 12 no EMBL CAP76416 . "Multidrug transporter emrE [Escherichia coli LF82]" . . . . . 100.00 117 98.18 99.09 1.37e-69 . . . . 4136 1 13 no EMBL CAQ31015 . "EmrE SMR transporter [Escherichia coli BL21(DE3)]" . . . . . 100.00 110 97.27 98.18 3.00e-68 . . . . 4136 1 14 no EMBL CAR03289 . "putative multidrug resistance protein; DLP12 prophage [Escherichia coli S88]" . . . . . 100.00 170 98.18 99.09 6.93e-69 . . . . 4136 1 15 no GB AAA24190 . "MvrC [Escherichia coli]" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 16 no GB AAB40740 . "methyl viologen resistance protein C [Escherichia coli]" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 17 no GB AAC73644 . "DLP12 prophage; multidrug resistance protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 18 no GB AAG55967 . "methylviologen resistance protein encoded within prophage CP-933X [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 110 98.18 100.00 7.27e-70 . . . . 4136 1 19 no GB AAN43529 . "resistance protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 110 98.18 99.09 2.47e-69 . . . . 4136 1 20 no PRF 1803250A . "ethidium efflux gene" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 21 no REF NP_309641 . "multidrug efflux protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 110 98.18 100.00 7.27e-70 . . . . 4136 1 22 no REF NP_415075 . "DLP12 prophage; multidrug resistance protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 23 no REF NP_707822 . "multidrug efflux protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 110 98.18 99.09 2.47e-69 . . . . 4136 1 24 no REF WP_001070433 . "multidrug SMR transporter [Escherichia coli]" . . . . . 100.00 110 97.27 99.09 8.37e-69 . . . . 4136 1 25 no REF WP_001070437 . "hypothetical protein, partial [Escherichia coli]" . . . . . 65.45 72 100.00 100.00 2.62e-41 . . . . 4136 1 26 no SP P23895 . "RecName: Full=Multidrug transporter EmrE; AltName: Full=Efflux-multidrug resistance protein EmrE; AltName: Full=Ethidium resist" . . . . . 100.00 110 100.00 100.00 3.86e-70 . . . . 4136 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'E. coli Multidrug resistance protein E' common 4136 1 EmrE abbreviation 4136 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4136 1 2 . ASN . 4136 1 3 . PRO . 4136 1 4 . TYR . 4136 1 5 . ILE . 4136 1 6 . TYR . 4136 1 7 . LEU . 4136 1 8 . GLY . 4136 1 9 . GLY . 4136 1 10 . ALA . 4136 1 11 . ILE . 4136 1 12 . LEU . 4136 1 13 . ALA . 4136 1 14 . GLU . 4136 1 15 . VAL . 4136 1 16 . ILE . 4136 1 17 . GLY . 4136 1 18 . THR . 4136 1 19 . THR . 4136 1 20 . LEU . 4136 1 21 . MET . 4136 1 22 . LYS . 4136 1 23 . PHE . 4136 1 24 . SER . 4136 1 25 . GLU . 4136 1 26 . GLY . 4136 1 27 . PHE . 4136 1 28 . THR . 4136 1 29 . ARG . 4136 1 30 . LEU . 4136 1 31 . TRP . 4136 1 32 . PRO . 4136 1 33 . SER . 4136 1 34 . VAL . 4136 1 35 . GLY . 4136 1 36 . THR . 4136 1 37 . ILE . 4136 1 38 . ILE . 4136 1 39 . CYS . 4136 1 40 . TYR . 4136 1 41 . CYS . 4136 1 42 . ALA . 4136 1 43 . SER . 4136 1 44 . PHE . 4136 1 45 . TRP . 4136 1 46 . LEU . 4136 1 47 . LEU . 4136 1 48 . ALA . 4136 1 49 . GLN . 4136 1 50 . THR . 4136 1 51 . LEU . 4136 1 52 . ALA . 4136 1 53 . TYR . 4136 1 54 . ILE . 4136 1 55 . PRO . 4136 1 56 . THR . 4136 1 57 . GLY . 4136 1 58 . ILE . 4136 1 59 . ALA . 4136 1 60 . TYR . 4136 1 61 . ALA . 4136 1 62 . ILE . 4136 1 63 . TRP . 4136 1 64 . SER . 4136 1 65 . GLY . 4136 1 66 . VAL . 4136 1 67 . GLY . 4136 1 68 . ILE . 4136 1 69 . VAL . 4136 1 70 . LEU . 4136 1 71 . ILE . 4136 1 72 . SER . 4136 1 73 . LEU . 4136 1 74 . LEU . 4136 1 75 . SER . 4136 1 76 . TRP . 4136 1 77 . GLY . 4136 1 78 . PHE . 4136 1 79 . PHE . 4136 1 80 . GLY . 4136 1 81 . GLN . 4136 1 82 . ARG . 4136 1 83 . LEU . 4136 1 84 . ASP . 4136 1 85 . LEU . 4136 1 86 . PRO . 4136 1 87 . ALA . 4136 1 88 . ILE . 4136 1 89 . ILE . 4136 1 90 . GLY . 4136 1 91 . MET . 4136 1 92 . MET . 4136 1 93 . LEU . 4136 1 94 . ILE . 4136 1 95 . CYS . 4136 1 96 . ALA . 4136 1 97 . GLY . 4136 1 98 . VAL . 4136 1 99 . LEU . 4136 1 100 . ILE . 4136 1 101 . ILE . 4136 1 102 . ASN . 4136 1 103 . LEU . 4136 1 104 . LEU . 4136 1 105 . SER . 4136 1 106 . ARG . 4136 1 107 . SER . 4136 1 108 . THR . 4136 1 109 . PRO . 4136 1 110 . HIS . 4136 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 4136 1 . ASN 2 2 4136 1 . PRO 3 3 4136 1 . TYR 4 4 4136 1 . ILE 5 5 4136 1 . TYR 6 6 4136 1 . LEU 7 7 4136 1 . GLY 8 8 4136 1 . GLY 9 9 4136 1 . ALA 10 10 4136 1 . ILE 11 11 4136 1 . LEU 12 12 4136 1 . ALA 13 13 4136 1 . GLU 14 14 4136 1 . VAL 15 15 4136 1 . ILE 16 16 4136 1 . GLY 17 17 4136 1 . THR 18 18 4136 1 . THR 19 19 4136 1 . LEU 20 20 4136 1 . MET 21 21 4136 1 . LYS 22 22 4136 1 . PHE 23 23 4136 1 . SER 24 24 4136 1 . GLU 25 25 4136 1 . GLY 26 26 4136 1 . PHE 27 27 4136 1 . THR 28 28 4136 1 . ARG 29 29 4136 1 . LEU 30 30 4136 1 . TRP 31 31 4136 1 . PRO 32 32 4136 1 . SER 33 33 4136 1 . VAL 34 34 4136 1 . GLY 35 35 4136 1 . THR 36 36 4136 1 . ILE 37 37 4136 1 . ILE 38 38 4136 1 . CYS 39 39 4136 1 . TYR 40 40 4136 1 . CYS 41 41 4136 1 . ALA 42 42 4136 1 . SER 43 43 4136 1 . PHE 44 44 4136 1 . TRP 45 45 4136 1 . LEU 46 46 4136 1 . LEU 47 47 4136 1 . ALA 48 48 4136 1 . GLN 49 49 4136 1 . THR 50 50 4136 1 . LEU 51 51 4136 1 . ALA 52 52 4136 1 . TYR 53 53 4136 1 . ILE 54 54 4136 1 . PRO 55 55 4136 1 . THR 56 56 4136 1 . GLY 57 57 4136 1 . ILE 58 58 4136 1 . ALA 59 59 4136 1 . TYR 60 60 4136 1 . ALA 61 61 4136 1 . ILE 62 62 4136 1 . TRP 63 63 4136 1 . SER 64 64 4136 1 . GLY 65 65 4136 1 . VAL 66 66 4136 1 . GLY 67 67 4136 1 . ILE 68 68 4136 1 . VAL 69 69 4136 1 . LEU 70 70 4136 1 . ILE 71 71 4136 1 . SER 72 72 4136 1 . LEU 73 73 4136 1 . LEU 74 74 4136 1 . SER 75 75 4136 1 . TRP 76 76 4136 1 . GLY 77 77 4136 1 . PHE 78 78 4136 1 . PHE 79 79 4136 1 . GLY 80 80 4136 1 . GLN 81 81 4136 1 . ARG 82 82 4136 1 . LEU 83 83 4136 1 . ASP 84 84 4136 1 . LEU 85 85 4136 1 . PRO 86 86 4136 1 . ALA 87 87 4136 1 . ILE 88 88 4136 1 . ILE 89 89 4136 1 . GLY 90 90 4136 1 . MET 91 91 4136 1 . MET 92 92 4136 1 . LEU 93 93 4136 1 . ILE 94 94 4136 1 . CYS 95 95 4136 1 . ALA 96 96 4136 1 . GLY 97 97 4136 1 . VAL 98 98 4136 1 . LEU 99 99 4136 1 . ILE 100 100 4136 1 . ILE 101 101 4136 1 . ASN 102 102 4136 1 . LEU 103 103 4136 1 . LEU 104 104 4136 1 . SER 105 105 4136 1 . ARG 106 106 4136 1 . SER 107 107 4136 1 . THR 108 108 4136 1 . PRO 109 109 4136 1 . HIS 110 110 4136 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 4136 _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 $EmrE . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4136 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 4136 _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 $EmrE . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pKK56 . . . 'Expression controlled with the lac promoter' . . 4136 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4136 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Mixed solvent Chloroform:methanol:water 6:6:1 (v:v:v) 15N labelled several samples of this type used. ; _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 EmrE [U-15N] . . . . . . 2.0 . . mM . . . . 4136 1 2 'ammonium acetate' . . . . . . . 200 . . mM . . . . 4136 1 3 D-chloroform . . . . . . . 46.2 . . % . . . . 4136 1 4 D3-methanol . . . . . . . 46.2 . . % . . . . 4136 1 5 H2O . . . . . . . 7.6 . . % . . . . 4136 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4136 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Mixed solvent Chloroform:methanol:water 6:6:1 (v:v:v) 15N,13C' _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 EmrE '[U-15N; U-13C]' . . . . . . 1.5 . . mM . . . . 4136 2 2 'ammonium acetate' . . . . . . . 200 . . mM . . . . 4136 2 3 D-chloroform . . . . . . . 46.2 . . % . . . . 4136 2 4 D3-methanol . . . . . . . 46.2 . . % . . . . 4136 2 5 H2O . . . . . . . 7.6 . . % . . . . 4136 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4136 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Mixed solvent Chloroform:methanol:water 6:6:1 (v:v:v) 15N,13C,75%-2H' _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 EmrE '[U-15N; U-13C; U-75% 2H]' . . . . . . 1.0 . . mM . . . . 4136 3 2 'ammonium acetate' . . . . . . . 200 . . mM . . . . 4136 3 3 D-chloroform . . . . . . . 46.2 . . % . . . . 4136 3 4 D3-methanol . . . . . . . 46.2 . . % . . . . 4136 3 5 H2O . . . . . . . 7.6 . . % . . . . 4136 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4136 _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 6.2 . n/a 4136 1 temperature 300 . K 4136 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4136 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'four channel, three gradient, triple resonance' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX750 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4136 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'four channel, three gradient, triple resonance' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4136 _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_one Bruker DMX750 . 750 'four channel, three gradient, triple resonance' . . 4136 1 2 NMR_spectrometer_two Bruker DMX600 . 600 'four channel, three gradient, triple resonance' . . 4136 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 4136 _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 . . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4136 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4136 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Internal TMS referencing for proton, 15N and 13C by frequency ratio' 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 C 13 TMS . . . . . ppm 0.0 . indirect 0.25144953 . . . . . . . . . 4136 1 H 1 TMS methyl . . . . ppm 0.0 internal direct . . . . . . . . . . 4136 1 N 15 TMS . . . . . ppm 0.0 . indirect 0.10132912 . . . . . . . . . 4136 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_assigned_chemical_shift_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_one _Assigned_chem_shift_list.Entry_ID 4136 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 ; No stereospecific assignments of methylene or valine/luecine methyl groups. Hence ambiguity code 2 even where HB2,HB3 etc. are stated as having different shifts. ; _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_one . 4136 1 . . 2 $sample_two . 4136 1 . . 3 $sample_three . 4136 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 H H 1 8.46 . . 1 . . . . . . . . 4136 1 2 . 1 1 1 1 MET HA H 1 4.65 . . 1 . . . . . . . . 4136 1 3 . 1 1 1 1 MET HB2 H 1 2.03 . . 2 . . . . . . . . 4136 1 4 . 1 1 1 1 MET HB3 H 1 2.16 . . 2 . . . . . . . . 4136 1 5 . 1 1 1 1 MET HG2 H 1 2.58 . . 2 . . . . . . . . 4136 1 6 . 1 1 1 1 MET HG3 H 1 2.58 . . 2 . . . . . . . . 4136 1 7 . 1 1 1 1 MET C C 13 174.2 . . 1 . . . . . . . . 4136 1 8 . 1 1 1 1 MET CA C 13 53.60 . . 1 . . . . . . . . 4136 1 9 . 1 1 1 1 MET CB C 13 32.1 . . 1 . . . . . . . . 4136 1 10 . 1 1 1 1 MET CG C 13 32.1 . . 1 . . . . . . . . 4136 1 11 . 1 1 1 1 MET N N 15 126.7 . . 1 . . . . . . . . 4136 1 12 . 1 1 2 2 ASN H H 1 8.25 . . 1 . . . . . . . . 4136 1 13 . 1 1 2 2 ASN HA H 1 5.02 . . 1 . . . . . . . . 4136 1 14 . 1 1 2 2 ASN HB2 H 1 2.82 . . 2 . . . . . . . . 4136 1 15 . 1 1 2 2 ASN HB3 H 1 3.00 . . 2 . . . . . . . . 4136 1 16 . 1 1 2 2 ASN HD21 H 1 6.85 . . 2 . . . . . . . . 4136 1 17 . 1 1 2 2 ASN HD22 H 1 7.94 . . 2 . . . . . . . . 4136 1 18 . 1 1 2 2 ASN CA C 13 50.86 . . 1 . . . . . . . . 4136 1 19 . 1 1 2 2 ASN N N 15 119.5 . . 1 . . . . . . . . 4136 1 20 . 1 1 2 2 ASN ND2 N 15 110.1 . . 1 . . . . . . . . 4136 1 21 . 1 1 3 3 PRO HA H 1 4.39 . . 1 . . . . . . . . 4136 1 22 . 1 1 3 3 PRO HB2 H 1 2.33 . . 2 . . . . . . . . 4136 1 23 . 1 1 3 3 PRO HB3 H 1 2.40 . . 2 . . . . . . . . 4136 1 24 . 1 1 3 3 PRO HG2 H 1 2.01 . . 2 . . . . . . . . 4136 1 25 . 1 1 3 3 PRO HG3 H 1 1.83 . . 2 . . . . . . . . 4136 1 26 . 1 1 3 3 PRO HD2 H 1 3.98 . . 2 . . . . . . . . 4136 1 27 . 1 1 3 3 PRO HD3 H 1 4.20 . . 2 . . . . . . . . 4136 1 28 . 1 1 3 3 PRO CA C 13 64.3 . . 1 . . . . . . . . 4136 1 29 . 1 1 3 3 PRO CB C 13 32.2 . . 1 . . . . . . . . 4136 1 30 . 1 1 3 3 PRO CG C 13 26.6 . . 1 . . . . . . . . 4136 1 31 . 1 1 3 3 PRO CD C 13 50.7 . . 1 . . . . . . . . 4136 1 32 . 1 1 3 3 PRO C C 13 177.1 . . 1 . . . . . . . . 4136 1 33 . 1 1 4 4 TYR H H 1 8.05 . . 1 . . . . . . . . 4136 1 34 . 1 1 4 4 TYR HA H 1 4.25 . . 1 . . . . . . . . 4136 1 35 . 1 1 4 4 TYR HB2 H 1 3.15 . . 2 . . . . . . . . 4136 1 36 . 1 1 4 4 TYR HB3 H 1 3.12 . . 2 . . . . . . . . 4136 1 37 . 1 1 4 4 TYR HD1 H 1 7.24 . . 3 . . . . . . . . 4136 1 38 . 1 1 4 4 TYR HD2 H 1 7.24 . . 3 . . . . . . . . 4136 1 39 . 1 1 4 4 TYR HE1 H 1 6.86 . . 3 . . . . . . . . 4136 1 40 . 1 1 4 4 TYR HE2 H 1 6.86 . . 3 . . . . . . . . 4136 1 41 . 1 1 4 4 TYR C C 13 178.2 . . 1 . . . . . . . . 4136 1 42 . 1 1 4 4 TYR CA C 13 61.50 . . 1 . . . . . . . . 4136 1 43 . 1 1 4 4 TYR CB C 13 37.3 . . 1 . . . . . . . . 4136 1 44 . 1 1 4 4 TYR N N 15 116.2 . . 1 . . . . . . . . 4136 1 45 . 1 1 5 5 ILE H H 1 7.49 . . 1 . . . . . . . . 4136 1 46 . 1 1 5 5 ILE HA H 1 3.90 . . 1 . . . . . . . . 4136 1 47 . 1 1 5 5 ILE HB H 1 1.94 . . 1 . . . . . . . . 4136 1 48 . 1 1 5 5 ILE HG12 H 1 1.61 . . 2 . . . . . . . . 4136 1 49 . 1 1 5 5 ILE HG13 H 1 1.31 . . 2 . . . . . . . . 4136 1 50 . 1 1 5 5 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 4136 1 51 . 1 1 5 5 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 4136 1 52 . 1 1 5 5 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 4136 1 53 . 1 1 5 5 ILE HD11 H 1 0.95 . . 1 . . . . . . . . 4136 1 54 . 1 1 5 5 ILE HD12 H 1 0.95 . . 1 . . . . . . . . 4136 1 55 . 1 1 5 5 ILE HD13 H 1 0.95 . . 1 . . . . . . . . 4136 1 56 . 1 1 5 5 ILE C C 13 177.4 . . 1 . . . . . . . . 4136 1 57 . 1 1 5 5 ILE CA C 13 63.60 . . 1 . . . . . . . . 4136 1 58 . 1 1 5 5 ILE CB C 13 26.8 . . 1 . . . . . . . . 4136 1 59 . 1 1 5 5 ILE CG1 C 13 28.3 . . 1 . . . . . . . . 4136 1 60 . 1 1 5 5 ILE CG2 C 13 17.1 . . 1 . . . . . . . . 4136 1 61 . 1 1 5 5 ILE CD1 C 13 12.2 . . 1 . . . . . . . . 4136 1 62 . 1 1 5 5 ILE N N 15 118.7 . . 1 . . . . . . . . 4136 1 63 . 1 1 6 6 TYR H H 1 7.40 . . 1 . . . . . . . . 4136 1 64 . 1 1 6 6 TYR HA H 1 4.27 . . 1 . . . . . . . . 4136 1 65 . 1 1 6 6 TYR HB2 H 1 3.03 . . 2 . . . . . . . . 4136 1 66 . 1 1 6 6 TYR HB3 H 1 3.15 . . 2 . . . . . . . . 4136 1 67 . 1 1 6 6 TYR HD1 H 1 7.11 . . 3 . . . . . . . . 4136 1 68 . 1 1 6 6 TYR HD2 H 1 7.11 . . 3 . . . . . . . . 4136 1 69 . 1 1 6 6 TYR HE1 H 1 6.78 . . 3 . . . . . . . . 4136 1 70 . 1 1 6 6 TYR HE2 H 1 6.78 . . 3 . . . . . . . . 4136 1 71 . 1 1 6 6 TYR C C 13 177.4 . . 1 . . . . . . . . 4136 1 72 . 1 1 6 6 TYR CA C 13 61.16 . . 1 . . . . . . . . 4136 1 73 . 1 1 6 6 TYR CB C 13 38.3 . . 1 . . . . . . . . 4136 1 74 . 1 1 6 6 TYR N N 15 119.0 . . 1 . . . . . . . . 4136 1 75 . 1 1 7 7 LEU H H 1 8.12 . . 1 . . . . . . . . 4136 1 76 . 1 1 7 7 LEU HA H 1 4.15 . . 1 . . . . . . . . 4136 1 77 . 1 1 7 7 LEU HB2 H 1 1.93 . . 2 . . . . . . . . 4136 1 78 . 1 1 7 7 LEU HB3 H 1 1.84 . . 2 . . . . . . . . 4136 1 79 . 1 1 7 7 LEU HG H 1 1.58 . . 1 . . . . . . . . 4136 1 80 . 1 1 7 7 LEU HD11 H 1 1.04 . . 2 . . . . . . . . 4136 1 81 . 1 1 7 7 LEU HD12 H 1 1.04 . . 2 . . . . . . . . 4136 1 82 . 1 1 7 7 LEU HD13 H 1 1.04 . . 2 . . . . . . . . 4136 1 83 . 1 1 7 7 LEU HD21 H 1 1.02 . . 2 . . . . . . . . 4136 1 84 . 1 1 7 7 LEU HD22 H 1 1.02 . . 2 . . . . . . . . 4136 1 85 . 1 1 7 7 LEU HD23 H 1 1.02 . . 2 . . . . . . . . 4136 1 86 . 1 1 7 7 LEU C C 13 178.3 . . 1 . . . . . . . . 4136 1 87 . 1 1 7 7 LEU CA C 13 57.30 . . 1 . . . . . . . . 4136 1 88 . 1 1 7 7 LEU CB C 13 41.6 . . 1 . . . . . . . . 4136 1 89 . 1 1 7 7 LEU CG C 13 24.2 . . 1 . . . . . . . . 4136 1 90 . 1 1 7 7 LEU N N 15 118.9 . . 1 . . . . . . . . 4136 1 91 . 1 1 8 8 GLY H H 1 8.27 . . 1 . . . . . . . . 4136 1 92 . 1 1 8 8 GLY HA2 H 1 3.89 . . 2 . . . . . . . . 4136 1 93 . 1 1 8 8 GLY HA3 H 1 3.89 . . 2 . . . . . . . . 4136 1 94 . 1 1 8 8 GLY C C 13 175.6 . . 1 . . . . . . . . 4136 1 95 . 1 1 8 8 GLY CA C 13 47.90 . . 1 . . . . . . . . 4136 1 96 . 1 1 8 8 GLY N N 15 104.9 . . 1 . . . . . . . . 4136 1 97 . 1 1 9 9 GLY H H 1 8.26 . . 1 . . . . . . . . 4136 1 98 . 1 1 9 9 GLY HA2 H 1 3.91 . . 2 . . . . . . . . 4136 1 99 . 1 1 9 9 GLY HA3 H 1 3.91 . . 2 . . . . . . . . 4136 1 100 . 1 1 9 9 GLY C C 13 174.8 . . 1 . . . . . . . . 4136 1 101 . 1 1 9 9 GLY CA C 13 47.30 . . 1 . . . . . . . . 4136 1 102 . 1 1 9 9 GLY N N 15 107.9 . . 1 . . . . . . . . 4136 1 103 . 1 1 10 10 ALA H H 1 8.08 . . 1 . . . . . . . . 4136 1 104 . 1 1 10 10 ALA HA H 1 4.15 . . 1 . . . . . . . . 4136 1 105 . 1 1 10 10 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 4136 1 106 . 1 1 10 10 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 4136 1 107 . 1 1 10 10 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 4136 1 108 . 1 1 10 10 ALA C C 13 179.5 . . 1 . . . . . . . . 4136 1 109 . 1 1 10 10 ALA CA C 13 55.30 . . 1 . . . . . . . . 4136 1 110 . 1 1 10 10 ALA CB C 13 18.00 . . 1 . . . . . . . . 4136 1 111 . 1 1 10 10 ALA N N 15 124.6 . . 1 . . . . . . . . 4136 1 112 . 1 1 11 11 ILE H H 1 8.18 . . 1 . . . . . . . . 4136 1 113 . 1 1 11 11 ILE HA H 1 3.77 . . 1 . . . . . . . . 4136 1 114 . 1 1 11 11 ILE HB H 1 2.08 . . 1 . . . . . . . . 4136 1 115 . 1 1 11 11 ILE HG12 H 1 1.01 . . 2 . . . . . . . . 4136 1 116 . 1 1 11 11 ILE HG13 H 1 2.01 . . 2 . . . . . . . . 4136 1 117 . 1 1 11 11 ILE HD11 H 1 0.90 . . 1 . . . . . . . . 4136 1 118 . 1 1 11 11 ILE HD12 H 1 0.90 . . 1 . . . . . . . . 4136 1 119 . 1 1 11 11 ILE HD13 H 1 0.90 . . 1 . . . . . . . . 4136 1 120 . 1 1 11 11 ILE C C 13 177.9 . . 1 . . . . . . . . 4136 1 121 . 1 1 11 11 ILE CA C 13 65.25 . . 1 . . . . . . . . 4136 1 122 . 1 1 11 11 ILE N N 15 118.2 . . 1 . . . . . . . . 4136 1 123 . 1 1 12 12 LEU H H 1 8.16 . . 1 . . . . . . . . 4136 1 124 . 1 1 12 12 LEU HA H 1 4.07 . . 1 . . . . . . . . 4136 1 125 . 1 1 12 12 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 4136 1 126 . 1 1 12 12 LEU HB3 H 1 1.84 . . 2 . . . . . . . . 4136 1 127 . 1 1 12 12 LEU HG H 1 1.71 . . 1 . . . . . . . . 4136 1 128 . 1 1 12 12 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4136 1 129 . 1 1 12 12 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4136 1 130 . 1 1 12 12 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4136 1 131 . 1 1 12 12 LEU HD21 H 1 0.94 . . 2 . . . . . . . . 4136 1 132 . 1 1 12 12 LEU HD22 H 1 0.94 . . 2 . . . . . . . . 4136 1 133 . 1 1 12 12 LEU HD23 H 1 0.94 . . 2 . . . . . . . . 4136 1 134 . 1 1 12 12 LEU C C 13 180.0 . . 1 . . . . . . . . 4136 1 135 . 1 1 12 12 LEU CA C 13 58.31 . . 1 . . . . . . . . 4136 1 136 . 1 1 12 12 LEU N N 15 119.5 . . 1 . . . . . . . . 4136 1 137 . 1 1 13 13 ALA H H 1 8.39 . . 1 . . . . . . . . 4136 1 138 . 1 1 13 13 ALA HA H 1 4.23 . . 1 . . . . . . . . 4136 1 139 . 1 1 13 13 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 4136 1 140 . 1 1 13 13 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 4136 1 141 . 1 1 13 13 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 4136 1 142 . 1 1 13 13 ALA C C 13 180.0 . . 1 . . . . . . . . 4136 1 143 . 1 1 13 13 ALA CA C 13 55.60 . . 1 . . . . . . . . 4136 1 144 . 1 1 13 13 ALA CB C 13 18.2 . . 1 . . . . . . . . 4136 1 145 . 1 1 13 13 ALA N N 15 119.8 . . 1 . . . . . . . . 4136 1 146 . 1 1 14 14 GLU H H 1 8.12 . . 1 . . . . . . . . 4136 1 147 . 1 1 14 14 GLU HA H 1 4.20 . . 1 . . . . . . . . 4136 1 148 . 1 1 14 14 GLU HB2 H 1 2.81 . . 2 . . . . . . . . 4136 1 149 . 1 1 14 14 GLU HB3 H 1 2.35 . . 2 . . . . . . . . 4136 1 150 . 1 1 14 14 GLU HG2 H 1 2.53 . . 2 . . . . . . . . 4136 1 151 . 1 1 14 14 GLU HG3 H 1 2.64 . . 2 . . . . . . . . 4136 1 152 . 1 1 14 14 GLU C C 13 179.8 . . 1 . . . . . . . . 4136 1 153 . 1 1 14 14 GLU CA C 13 59.50 . . 1 . . . . . . . . 4136 1 154 . 1 1 14 14 GLU CB C 13 34.9 . . 1 . . . . . . . . 4136 1 155 . 1 1 14 14 GLU CG C 13 42.2 . . 1 . . . . . . . . 4136 1 156 . 1 1 14 14 GLU N N 15 118.6 . . 1 . . . . . . . . 4136 1 157 . 1 1 15 15 VAL H H 1 8.77 . . 1 . . . . . . . . 4136 1 158 . 1 1 15 15 VAL HA H 1 3.70 . . 1 . . . . . . . . 4136 1 159 . 1 1 15 15 VAL HB H 1 2.38 . . 1 . . . . . . . . 4136 1 160 . 1 1 15 15 VAL HG11 H 1 1.03 . . 2 . . . . . . . . 4136 1 161 . 1 1 15 15 VAL HG12 H 1 1.03 . . 2 . . . . . . . . 4136 1 162 . 1 1 15 15 VAL HG13 H 1 1.03 . . 2 . . . . . . . . 4136 1 163 . 1 1 15 15 VAL HG21 H 1 1.03 . . 2 . . . . . . . . 4136 1 164 . 1 1 15 15 VAL HG22 H 1 1.03 . . 2 . . . . . . . . 4136 1 165 . 1 1 15 15 VAL HG23 H 1 1.03 . . 2 . . . . . . . . 4136 1 166 . 1 1 15 15 VAL C C 13 179.3 . . 1 . . . . . . . . 4136 1 167 . 1 1 15 15 VAL CA C 13 67.27 . . 1 . . . . . . . . 4136 1 168 . 1 1 15 15 VAL CB C 13 37.8 . . 1 . . . . . . . . 4136 1 169 . 1 1 15 15 VAL CG2 C 13 21.40 . . 2 . . . . . . . . 4136 1 170 . 1 1 15 15 VAL N N 15 122.9 . . 1 . . . . . . . . 4136 1 171 . 1 1 16 16 ILE H H 1 8.98 . . 1 . . . . . . . . 4136 1 172 . 1 1 16 16 ILE HA H 1 3.70 . . 1 . . . . . . . . 4136 1 173 . 1 1 16 16 ILE HB H 1 1.99 . . 1 . . . . . . . . 4136 1 174 . 1 1 16 16 ILE HG12 H 1 2.08 . . 2 . . . . . . . . 4136 1 175 . 1 1 16 16 ILE HG21 H 1 0.98 . . 1 . . . . . . . . 4136 1 176 . 1 1 16 16 ILE HG22 H 1 0.98 . . 1 . . . . . . . . 4136 1 177 . 1 1 16 16 ILE HG23 H 1 0.98 . . 1 . . . . . . . . 4136 1 178 . 1 1 16 16 ILE HD11 H 1 0.92 . . 1 . . . . . . . . 4136 1 179 . 1 1 16 16 ILE HD12 H 1 0.92 . . 1 . . . . . . . . 4136 1 180 . 1 1 16 16 ILE HD13 H 1 0.92 . . 1 . . . . . . . . 4136 1 181 . 1 1 16 16 ILE C C 13 178.0 . . 1 . . . . . . . . 4136 1 182 . 1 1 16 16 ILE CA C 13 65.89 . . 1 . . . . . . . . 4136 1 183 . 1 1 16 16 ILE N N 15 123.2 . . 1 . . . . . . . . 4136 1 184 . 1 1 17 17 GLY H H 1 8.88 . . 1 . . . . . . . . 4136 1 185 . 1 1 17 17 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 4136 1 186 . 1 1 17 17 GLY HA3 H 1 3.81 . . 2 . . . . . . . . 4136 1 187 . 1 1 17 17 GLY C C 13 175.6 . . 1 . . . . . . . . 4136 1 188 . 1 1 17 17 GLY CA C 13 47.90 . . 1 . . . . . . . . 4136 1 189 . 1 1 17 17 GLY N N 15 106.9 . . 1 . . . . . . . . 4136 1 190 . 1 1 18 18 THR H H 1 8.47 . . 1 . . . . . . . . 4136 1 191 . 1 1 18 18 THR HA H 1 3.99 . . 1 . . . . . . . . 4136 1 192 . 1 1 18 18 THR HB H 1 4.29 . . 1 . . . . . . . . 4136 1 193 . 1 1 18 18 THR C C 13 176.2 . . 1 . . . . . . . . 4136 1 194 . 1 1 18 18 THR CA C 13 67.44 . . 1 . . . . . . . . 4136 1 195 . 1 1 18 18 THR N N 15 116.6 . . 1 . . . . . . . . 4136 1 196 . 1 1 19 19 THR H H 1 8.03 . . 1 . . . . . . . . 4136 1 197 . 1 1 19 19 THR HA H 1 3.86 . . 1 . . . . . . . . 4136 1 198 . 1 1 19 19 THR HB H 1 4.44 . . 1 . . . . . . . . 4136 1 199 . 1 1 19 19 THR C C 13 176.5 . . 1 . . . . . . . . 4136 1 200 . 1 1 19 19 THR CA C 13 68.17 . . 1 . . . . . . . . 4136 1 201 . 1 1 19 19 THR N N 15 119.3 . . 1 . . . . . . . . 4136 1 202 . 1 1 20 20 LEU H H 1 8.49 . . 1 . . . . . . . . 4136 1 203 . 1 1 20 20 LEU HA H 1 4.11 . . 1 . . . . . . . . 4136 1 204 . 1 1 20 20 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 4136 1 205 . 1 1 20 20 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 4136 1 206 . 1 1 20 20 LEU HG H 1 1.71 . . 1 . . . . . . . . 4136 1 207 . 1 1 20 20 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4136 1 208 . 1 1 20 20 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4136 1 209 . 1 1 20 20 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4136 1 210 . 1 1 20 20 LEU HD21 H 1 0.94 . . 2 . . . . . . . . 4136 1 211 . 1 1 20 20 LEU HD22 H 1 0.94 . . 2 . . . . . . . . 4136 1 212 . 1 1 20 20 LEU HD23 H 1 0.94 . . 2 . . . . . . . . 4136 1 213 . 1 1 20 20 LEU C C 13 180.0 . . 1 . . . . . . . . 4136 1 214 . 1 1 20 20 LEU CA C 13 65.10 . . 1 . . . . . . . . 4136 1 215 . 1 1 20 20 LEU CB C 13 47.60 . . 1 . . . . . . . . 4136 1 216 . 1 1 20 20 LEU CD1 C 13 17.30 . . 2 . . . . . . . . 4136 1 217 . 1 1 20 20 LEU CD2 C 13 17.30 . . 2 . . . . . . . . 4136 1 218 . 1 1 20 20 LEU N N 15 121.3 . . 1 . . . . . . . . 4136 1 219 . 1 1 21 21 MET H H 1 8.35 . . 1 . . . . . . . . 4136 1 220 . 1 1 21 21 MET HA H 1 4.28 . . 1 . . . . . . . . 4136 1 221 . 1 1 21 21 MET HB2 H 1 2.36 . . 2 . . . . . . . . 4136 1 222 . 1 1 21 21 MET HB3 H 1 2.25 . . 2 . . . . . . . . 4136 1 223 . 1 1 21 21 MET HG2 H 1 2.81 . . 2 . . . . . . . . 4136 1 224 . 1 1 21 21 MET HG3 H 1 2.66 . . 2 . . . . . . . . 4136 1 225 . 1 1 21 21 MET C C 13 177.8 . . 1 . . . . . . . . 4136 1 226 . 1 1 21 21 MET CA C 13 58.60 . . 1 . . . . . . . . 4136 1 227 . 1 1 21 21 MET CB C 13 32.60 . . 1 . . . . . . . . 4136 1 228 . 1 1 21 21 MET N N 15 119.9 . . 1 . . . . . . . . 4136 1 229 . 1 1 22 22 LYS H H 1 8.45 . . 1 . . . . . . . . 4136 1 230 . 1 1 22 22 LYS HA H 1 4.26 . . 1 . . . . . . . . 4136 1 231 . 1 1 22 22 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4136 1 232 . 1 1 22 22 LYS HB3 H 1 1.97 . . 2 . . . . . . . . 4136 1 233 . 1 1 22 22 LYS HG2 H 1 1.76 . . 2 . . . . . . . . 4136 1 234 . 1 1 22 22 LYS HG3 H 1 1.65 . . 2 . . . . . . . . 4136 1 235 . 1 1 22 22 LYS HD2 H 1 0.98 . . 2 . . . . . . . . 4136 1 236 . 1 1 22 22 LYS HD3 H 1 1.05 . . 2 . . . . . . . . 4136 1 237 . 1 1 22 22 LYS HE2 H 1 2.91 . . 2 . . . . . . . . 4136 1 238 . 1 1 22 22 LYS HE3 H 1 2.88 . . 2 . . . . . . . . 4136 1 239 . 1 1 22 22 LYS C C 13 179.3 . . 1 . . . . . . . . 4136 1 240 . 1 1 22 22 LYS CA C 13 58.20 . . 1 . . . . . . . . 4136 1 241 . 1 1 22 22 LYS CB C 13 24.50 . . 1 . . . . . . . . 4136 1 242 . 1 1 22 22 LYS CG C 13 23.50 . . 1 . . . . . . . . 4136 1 243 . 1 1 22 22 LYS CD C 13 26.50 . . 1 . . . . . . . . 4136 1 244 . 1 1 22 22 LYS CE C 13 41.30 . . 1 . . . . . . . . 4136 1 245 . 1 1 22 22 LYS N N 15 119.8 . . 1 . . . . . . . . 4136 1 246 . 1 1 23 23 PHE H H 1 8.74 . . 1 . . . . . . . . 4136 1 247 . 1 1 23 23 PHE HA H 1 4.39 . . 1 . . . . . . . . 4136 1 248 . 1 1 23 23 PHE HB2 H 1 3.29 . . 2 . . . . . . . . 4136 1 249 . 1 1 23 23 PHE HB3 H 1 3.36 . . 2 . . . . . . . . 4136 1 250 . 1 1 23 23 PHE HD1 H 1 7.32 . . 3 . . . . . . . . 4136 1 251 . 1 1 23 23 PHE HD2 H 1 7.32 . . 3 . . . . . . . . 4136 1 252 . 1 1 23 23 PHE HE1 H 1 7.30 . . 3 . . . . . . . . 4136 1 253 . 1 1 23 23 PHE HE2 H 1 7.30 . . 3 . . . . . . . . 4136 1 254 . 1 1 23 23 PHE C C 13 177.8 . . 1 . . . . . . . . 4136 1 255 . 1 1 23 23 PHE CA C 13 60.90 . . 1 . . . . . . . . 4136 1 256 . 1 1 23 23 PHE CB C 13 38.70 . . 1 . . . . . . . . 4136 1 257 . 1 1 23 23 PHE N N 15 119.8 . . 1 . . . . . . . . 4136 1 258 . 1 1 24 24 SER H H 1 8.39 . . 1 . . . . . . . . 4136 1 259 . 1 1 24 24 SER HA H 1 4.29 . . 1 . . . . . . . . 4136 1 260 . 1 1 24 24 SER HB2 H 1 4.14 . . 2 . . . . . . . . 4136 1 261 . 1 1 24 24 SER HB3 H 1 4.14 . . 2 . . . . . . . . 4136 1 262 . 1 1 24 24 SER C C 13 176.5 . . 1 . . . . . . . . 4136 1 263 . 1 1 24 24 SER CA C 13 62.60 . . 1 . . . . . . . . 4136 1 264 . 1 1 24 24 SER N N 15 115.0 . . 1 . . . . . . . . 4136 1 265 . 1 1 25 25 GLU H H 1 8.47 . . 1 . . . . . . . . 4136 1 266 . 1 1 25 25 GLU HA H 1 4.10 . . 1 . . . . . . . . 4136 1 267 . 1 1 25 25 GLU HB2 H 1 2.57 . . 2 . . . . . . . . 4136 1 268 . 1 1 25 25 GLU HB3 H 1 2.92 . . 2 . . . . . . . . 4136 1 269 . 1 1 25 25 GLU HG2 H 1 2.25 . . 2 . . . . . . . . 4136 1 270 . 1 1 25 25 GLU HG3 H 1 2.47 . . 2 . . . . . . . . 4136 1 271 . 1 1 25 25 GLU C C 13 178.7 . . 1 . . . . . . . . 4136 1 272 . 1 1 25 25 GLU CA C 13 59.30 . . 1 . . . . . . . . 4136 1 273 . 1 1 25 25 GLU CB C 13 36.00 . . 1 . . . . . . . . 4136 1 274 . 1 1 25 25 GLU CG C 13 36.00 . . 1 . . . . . . . . 4136 1 275 . 1 1 25 25 GLU N N 15 123.7 . . 1 . . . . . . . . 4136 1 276 . 1 1 26 26 GLY H H 1 8.31 . . 1 . . . . . . . . 4136 1 277 . 1 1 26 26 GLY HA2 H 1 3.83 . . 2 . . . . . . . . 4136 1 278 . 1 1 26 26 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 4136 1 279 . 1 1 26 26 GLY C C 13 175.0 . . 1 . . . . . . . . 4136 1 280 . 1 1 26 26 GLY CA C 13 47.30 . . 1 . . . . . . . . 4136 1 281 . 1 1 26 26 GLY N N 15 106.2 . . 1 . . . . . . . . 4136 1 282 . 1 1 27 27 PHE H H 1 8.44 . . 1 . . . . . . . . 4136 1 283 . 1 1 27 27 PHE HA H 1 4.29 . . 1 . . . . . . . . 4136 1 284 . 1 1 27 27 PHE HB2 H 1 3.21 . . 2 . . . . . . . . 4136 1 285 . 1 1 27 27 PHE HB3 H 1 3.08 . . 2 . . . . . . . . 4136 1 286 . 1 1 27 27 PHE HD1 H 1 7.25 . . 3 . . . . . . . . 4136 1 287 . 1 1 27 27 PHE HD2 H 1 7.25 . . 3 . . . . . . . . 4136 1 288 . 1 1 27 27 PHE HE1 H 1 7.16 . . 3 . . . . . . . . 4136 1 289 . 1 1 27 27 PHE HE2 H 1 7.16 . . 3 . . . . . . . . 4136 1 290 . 1 1 27 27 PHE C C 13 177.3 . . 1 . . . . . . . . 4136 1 291 . 1 1 27 27 PHE CA C 13 61.60 . . 1 . . . . . . . . 4136 1 292 . 1 1 27 27 PHE CB C 13 39.20 . . 1 . . . . . . . . 4136 1 293 . 1 1 27 27 PHE N N 15 120.4 . . 1 . . . . . . . . 4136 1 294 . 1 1 28 28 THR H H 1 8.09 . . 1 . . . . . . . . 4136 1 295 . 1 1 28 28 THR HA H 1 4.00 . . 1 . . . . . . . . 4136 1 296 . 1 1 28 28 THR HB H 1 4.36 . . 1 . . . . . . . . 4136 1 297 . 1 1 28 28 THR HG21 H 1 1.40 . . 1 . . . . . . . . 4136 1 298 . 1 1 28 28 THR HG22 H 1 1.40 . . 1 . . . . . . . . 4136 1 299 . 1 1 28 28 THR HG23 H 1 1.40 . . 1 . . . . . . . . 4136 1 300 . 1 1 28 28 THR C C 13 175.5 . . 1 . . . . . . . . 4136 1 301 . 1 1 28 28 THR CA C 13 66.02 . . 1 . . . . . . . . 4136 1 302 . 1 1 28 28 THR N N 15 111.1 . . 1 . . . . . . . . 4136 1 303 . 1 1 29 29 ARG H H 1 7.71 . . 1 . . . . . . . . 4136 1 304 . 1 1 29 29 ARG HA H 1 4.27 . . 1 . . . . . . . . 4136 1 305 . 1 1 29 29 ARG HB2 H 1 1.96 . . 2 . . . . . . . . 4136 1 306 . 1 1 29 29 ARG HB3 H 1 1.96 . . 2 . . . . . . . . 4136 1 307 . 1 1 29 29 ARG C C 13 177.2 . . 1 . . . . . . . . 4136 1 308 . 1 1 29 29 ARG CA C 13 57.88 . . 1 . . . . . . . . 4136 1 309 . 1 1 29 29 ARG CD C 13 43.00 . . 1 . . . . . . . . 4136 1 310 . 1 1 29 29 ARG N N 15 117.1 . . 1 . . . . . . . . 4136 1 311 . 1 1 30 30 LEU H H 1 7.84 . . 1 . . . . . . . . 4136 1 312 . 1 1 30 30 LEU HA H 1 4.31 . . 1 . . . . . . . . 4136 1 313 . 1 1 30 30 LEU HB2 H 1 1.79 . . 2 . . . . . . . . 4136 1 314 . 1 1 30 30 LEU HB3 H 1 1.57 . . 2 . . . . . . . . 4136 1 315 . 1 1 30 30 LEU HG H 1 1.70 . . 1 . . . . . . . . 4136 1 316 . 1 1 30 30 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 4136 1 317 . 1 1 30 30 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 4136 1 318 . 1 1 30 30 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 4136 1 319 . 1 1 30 30 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4136 1 320 . 1 1 30 30 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4136 1 321 . 1 1 30 30 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4136 1 322 . 1 1 30 30 LEU C C 13 177.7 . . 1 . . . . . . . . 4136 1 323 . 1 1 30 30 LEU CA C 13 56.33 . . 1 . . . . . . . . 4136 1 324 . 1 1 30 30 LEU CB C 13 47.90 . . 1 . . . . . . . . 4136 1 325 . 1 1 30 30 LEU N N 15 118.2 . . 1 . . . . . . . . 4136 1 326 . 1 1 31 31 TRP H H 1 8.07 . . 1 . . . . . . . . 4136 1 327 . 1 1 31 31 TRP HA H 1 4.62 . . 1 . . . . . . . . 4136 1 328 . 1 1 31 31 TRP HB2 H 1 3.27 . . 2 . . . . . . . . 4136 1 329 . 1 1 31 31 TRP HB3 H 1 3.30 . . 2 . . . . . . . . 4136 1 330 . 1 1 31 31 TRP HD1 H 1 7.18 . . 1 . . . . . . . . 4136 1 331 . 1 1 31 31 TRP HE1 H 1 9.83 . . 1 . . . . . . . . 4136 1 332 . 1 1 31 31 TRP HE3 H 1 7.52 . . 1 . . . . . . . . 4136 1 333 . 1 1 31 31 TRP HZ2 H 1 7.42 . . 1 . . . . . . . . 4136 1 334 . 1 1 31 31 TRP HZ3 H 1 7.08 . . 1 . . . . . . . . 4136 1 335 . 1 1 31 31 TRP HH2 H 1 7.17 . . 1 . . . . . . . . 4136 1 336 . 1 1 31 31 TRP CA C 13 60.60 . . 1 . . . . . . . . 4136 1 337 . 1 1 31 31 TRP N N 15 119.8 . . 1 . . . . . . . . 4136 1 338 . 1 1 31 31 TRP NE1 N 15 127.1 . . 1 . . . . . . . . 4136 1 339 . 1 1 32 32 PRO HA H 1 4.33 . . 1 . . . . . . . . 4136 1 340 . 1 1 32 32 PRO HB2 H 1 2.71 . . 2 . . . . . . . . 4136 1 341 . 1 1 32 32 PRO HB3 H 1 2.71 . . 2 . . . . . . . . 4136 1 342 . 1 1 32 32 PRO HG2 H 1 1.84 . . 2 . . . . . . . . 4136 1 343 . 1 1 32 32 PRO HG3 H 1 1.84 . . 2 . . . . . . . . 4136 1 344 . 1 1 32 32 PRO HD2 H 1 3.57 . . 2 . . . . . . . . 4136 1 345 . 1 1 32 32 PRO HD3 H 1 3.57 . . 2 . . . . . . . . 4136 1 346 . 1 1 32 32 PRO C C 13 175.9 . . 1 . . . . . . . . 4136 1 347 . 1 1 33 33 SER H H 1 7.69 . . 1 . . . . . . . . 4136 1 348 . 1 1 33 33 SER HA H 1 4.32 . . 1 . . . . . . . . 4136 1 349 . 1 1 33 33 SER HB2 H 1 4.13 . . 2 . . . . . . . . 4136 1 350 . 1 1 33 33 SER HB3 H 1 3.94 . . 2 . . . . . . . . 4136 1 351 . 1 1 33 33 SER C C 13 178.5 . . 1 . . . . . . . . 4136 1 352 . 1 1 33 33 SER CA C 13 61.59 . . 1 . . . . . . . . 4136 1 353 . 1 1 33 33 SER N N 15 113.8 . . 1 . . . . . . . . 4136 1 354 . 1 1 34 34 VAL H H 1 8.10 . . 1 . . . . . . . . 4136 1 355 . 1 1 34 34 VAL HA H 1 3.68 . . 1 . . . . . . . . 4136 1 356 . 1 1 34 34 VAL HB H 1 2.13 . . 1 . . . . . . . . 4136 1 357 . 1 1 34 34 VAL HG11 H 1 1.03 . . 2 . . . . . . . . 4136 1 358 . 1 1 34 34 VAL HG12 H 1 1.03 . . 2 . . . . . . . . 4136 1 359 . 1 1 34 34 VAL HG13 H 1 1.03 . . 2 . . . . . . . . 4136 1 360 . 1 1 34 34 VAL HG21 H 1 1.10 . . 2 . . . . . . . . 4136 1 361 . 1 1 34 34 VAL HG22 H 1 1.10 . . 2 . . . . . . . . 4136 1 362 . 1 1 34 34 VAL HG23 H 1 1.10 . . 2 . . . . . . . . 4136 1 363 . 1 1 34 34 VAL C C 13 178.3 . . 1 . . . . . . . . 4136 1 364 . 1 1 34 34 VAL CA C 13 58.30 . . 1 . . . . . . . . 4136 1 365 . 1 1 34 34 VAL CB C 13 40.40 . . 1 . . . . . . . . 4136 1 366 . 1 1 34 34 VAL CG1 C 13 17.70 . . 2 . . . . . . . . 4136 1 367 . 1 1 34 34 VAL CG2 C 13 17.70 . . 2 . . . . . . . . 4136 1 368 . 1 1 34 34 VAL N N 15 122.3 . . 1 . . . . . . . . 4136 1 369 . 1 1 35 35 GLY H H 1 8.65 . . 1 . . . . . . . . 4136 1 370 . 1 1 35 35 GLY HA2 H 1 3.67 . . 2 . . . . . . . . 4136 1 371 . 1 1 35 35 GLY HA3 H 1 3.67 . . 2 . . . . . . . . 4136 1 372 . 1 1 35 35 GLY C C 13 173.4 . . 1 . . . . . . . . 4136 1 373 . 1 1 35 35 GLY CA C 13 47.42 . . 1 . . . . . . . . 4136 1 374 . 1 1 35 35 GLY N N 15 105.7 . . 1 . . . . . . . . 4136 1 375 . 1 1 36 36 THR H H 1 7.75 . . 1 . . . . . . . . 4136 1 376 . 1 1 36 36 THR HA H 1 4.22 . . 1 . . . . . . . . 4136 1 377 . 1 1 36 36 THR HB H 1 4.37 . . 1 . . . . . . . . 4136 1 378 . 1 1 36 36 THR HG21 H 1 1.28 . . 1 . . . . . . . . 4136 1 379 . 1 1 36 36 THR HG22 H 1 1.28 . . 1 . . . . . . . . 4136 1 380 . 1 1 36 36 THR HG23 H 1 1.28 . . 1 . . . . . . . . 4136 1 381 . 1 1 36 36 THR N N 15 117.7 . . 1 . . . . . . . . 4136 1 382 . 1 1 37 37 ILE H H 1 7.79 . . 1 . . . . . . . . 4136 1 383 . 1 1 37 37 ILE HA H 1 4.36 . . 1 . . . . . . . . 4136 1 384 . 1 1 37 37 ILE HB H 1 2.15 . . 1 . . . . . . . . 4136 1 385 . 1 1 37 37 ILE HG12 H 1 1.25 . . 2 . . . . . . . . 4136 1 386 . 1 1 37 37 ILE HG13 H 1 1.83 . . 2 . . . . . . . . 4136 1 387 . 1 1 37 37 ILE HG21 H 1 1.06 . . 1 . . . . . . . . 4136 1 388 . 1 1 37 37 ILE HG22 H 1 1.06 . . 1 . . . . . . . . 4136 1 389 . 1 1 37 37 ILE HG23 H 1 1.06 . . 1 . . . . . . . . 4136 1 390 . 1 1 37 37 ILE HD11 H 1 0.91 . . 1 . . . . . . . . 4136 1 391 . 1 1 37 37 ILE HD12 H 1 0.91 . . 1 . . . . . . . . 4136 1 392 . 1 1 37 37 ILE HD13 H 1 0.91 . . 1 . . . . . . . . 4136 1 393 . 1 1 37 37 ILE N N 15 121.7 . . 1 . . . . . . . . 4136 1 394 . 1 1 38 38 ILE H H 1 8.42 . . 1 . . . . . . . . 4136 1 395 . 1 1 38 38 ILE HA H 1 4.29 . . 1 . . . . . . . . 4136 1 396 . 1 1 38 38 ILE HB H 1 2.11 . . 1 . . . . . . . . 4136 1 397 . 1 1 38 38 ILE HG12 H 1 1.90 . . 2 . . . . . . . . 4136 1 398 . 1 1 38 38 ILE HG13 H 1 1.66 . . 2 . . . . . . . . 4136 1 399 . 1 1 38 38 ILE HG21 H 1 1.03 . . 1 . . . . . . . . 4136 1 400 . 1 1 38 38 ILE HG22 H 1 1.03 . . 1 . . . . . . . . 4136 1 401 . 1 1 38 38 ILE HG23 H 1 1.03 . . 1 . . . . . . . . 4136 1 402 . 1 1 38 38 ILE HD11 H 1 1.26 . . 1 . . . . . . . . 4136 1 403 . 1 1 38 38 ILE HD12 H 1 1.26 . . 1 . . . . . . . . 4136 1 404 . 1 1 38 38 ILE HD13 H 1 1.26 . . 1 . . . . . . . . 4136 1 405 . 1 1 38 38 ILE CA C 13 61.46 . . 1 . . . . . . . . 4136 1 406 . 1 1 38 38 ILE CB C 13 39.40 . . 1 . . . . . . . . 4136 1 407 . 1 1 38 38 ILE N N 15 120.6 . . 1 . . . . . . . . 4136 1 408 . 1 1 39 39 CYS H H 1 8.26 . . 1 . . . . . . . . 4136 1 409 . 1 1 39 39 CYS HA H 1 4.17 . . 1 . . . . . . . . 4136 1 410 . 1 1 39 39 CYS HB2 H 1 2.93 . . 2 . . . . . . . . 4136 1 411 . 1 1 39 39 CYS HB3 H 1 3.24 . . 2 . . . . . . . . 4136 1 412 . 1 1 39 39 CYS N N 15 117.4 . . 1 . . . . . . . . 4136 1 413 . 1 1 40 40 TYR H H 1 8.73 . . 1 . . . . . . . . 4136 1 414 . 1 1 40 40 TYR HA H 1 4.27 . . 1 . . . . . . . . 4136 1 415 . 1 1 40 40 TYR HB2 H 1 3.30 . . 2 . . . . . . . . 4136 1 416 . 1 1 40 40 TYR HB3 H 1 3.30 . . 2 . . . . . . . . 4136 1 417 . 1 1 40 40 TYR HD1 H 1 7.19 . . 3 . . . . . . . . 4136 1 418 . 1 1 40 40 TYR HD2 H 1 7.19 . . 3 . . . . . . . . 4136 1 419 . 1 1 40 40 TYR HE1 H 1 6.79 . . 3 . . . . . . . . 4136 1 420 . 1 1 40 40 TYR HE2 H 1 6.79 . . 3 . . . . . . . . 4136 1 421 . 1 1 40 40 TYR N N 15 122.3 . . 1 . . . . . . . . 4136 1 422 . 1 1 41 41 CYS H H 1 8.74 . . 1 . . . . . . . . 4136 1 423 . 1 1 41 41 CYS HA H 1 4.20 . . 1 . . . . . . . . 4136 1 424 . 1 1 41 41 CYS HB2 H 1 2.94 . . 2 . . . . . . . . 4136 1 425 . 1 1 41 41 CYS HB3 H 1 3.29 . . 2 . . . . . . . . 4136 1 426 . 1 1 41 41 CYS CA C 13 52.10 . . 1 . . . . . . . . 4136 1 427 . 1 1 41 41 CYS CB C 13 30.50 . . 1 . . . . . . . . 4136 1 428 . 1 1 41 41 CYS N N 15 117.9 . . 1 . . . . . . . . 4136 1 429 . 1 1 42 42 ALA H H 1 8.95 . . 1 . . . . . . . . 4136 1 430 . 1 1 42 42 ALA HA H 1 4.29 . . 1 . . . . . . . . 4136 1 431 . 1 1 42 42 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 4136 1 432 . 1 1 42 42 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 4136 1 433 . 1 1 42 42 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 4136 1 434 . 1 1 42 42 ALA CA C 13 55.52 . . 1 . . . . . . . . 4136 1 435 . 1 1 42 42 ALA CB C 13 18.60 . . 1 . . . . . . . . 4136 1 436 . 1 1 42 42 ALA N N 15 121.3 . . 1 . . . . . . . . 4136 1 437 . 1 1 43 43 SER H H 1 8.19 . . 1 . . . . . . . . 4136 1 438 . 1 1 43 43 SER HA H 1 4.33 . . 1 . . . . . . . . 4136 1 439 . 1 1 43 43 SER HB2 H 1 3.98 . . 2 . . . . . . . . 4136 1 440 . 1 1 43 43 SER HB3 H 1 3.98 . . 2 . . . . . . . . 4136 1 441 . 1 1 43 43 SER CA C 13 55.70 . . 1 . . . . . . . . 4136 1 442 . 1 1 43 43 SER CB C 13 63.30 . . 1 . . . . . . . . 4136 1 443 . 1 1 43 43 SER N N 15 113.7 . . 1 . . . . . . . . 4136 1 444 . 1 1 44 44 PHE H H 1 8.19 . . 1 . . . . . . . . 4136 1 445 . 1 1 44 44 PHE HA H 1 4.17 . . 1 . . . . . . . . 4136 1 446 . 1 1 44 44 PHE HB2 H 1 3.11 . . 2 . . . . . . . . 4136 1 447 . 1 1 44 44 PHE HB3 H 1 3.22 . . 2 . . . . . . . . 4136 1 448 . 1 1 44 44 PHE HD1 H 1 7.12 . . 3 . . . . . . . . 4136 1 449 . 1 1 44 44 PHE HD2 H 1 7.12 . . 3 . . . . . . . . 4136 1 450 . 1 1 44 44 PHE HE1 H 1 7.03 . . 3 . . . . . . . . 4136 1 451 . 1 1 44 44 PHE HE2 H 1 7.03 . . 3 . . . . . . . . 4136 1 452 . 1 1 44 44 PHE N N 15 122.3 . . 1 . . . . . . . . 4136 1 453 . 1 1 45 45 TRP H H 1 8.35 . . 1 . . . . . . . . 4136 1 454 . 1 1 45 45 TRP HA H 1 4.27 . . 1 . . . . . . . . 4136 1 455 . 1 1 45 45 TRP HB2 H 1 3.26 . . 2 . . . . . . . . 4136 1 456 . 1 1 45 45 TRP HB3 H 1 3.43 . . 2 . . . . . . . . 4136 1 457 . 1 1 45 45 TRP HD1 H 1 7.28 . . 1 . . . . . . . . 4136 1 458 . 1 1 45 45 TRP HE1 H 1 10.17 . . 1 . . . . . . . . 4136 1 459 . 1 1 45 45 TRP HE3 H 1 7.65 . . 1 . . . . . . . . 4136 1 460 . 1 1 45 45 TRP HZ2 H 1 7.44 . . 1 . . . . . . . . 4136 1 461 . 1 1 45 45 TRP HZ3 H 1 7.12 . . 1 . . . . . . . . 4136 1 462 . 1 1 45 45 TRP HH2 H 1 7.20 . . 1 . . . . . . . . 4136 1 463 . 1 1 45 45 TRP CA C 13 59.22 . . 1 . . . . . . . . 4136 1 464 . 1 1 45 45 TRP N N 15 119.8 . . 1 . . . . . . . . 4136 1 465 . 1 1 45 45 TRP NE1 N 15 127.8 . . 1 . . . . . . . . 4136 1 466 . 1 1 46 46 LEU H H 1 8.42 . . 1 . . . . . . . . 4136 1 467 . 1 1 46 46 LEU HA H 1 3.76 . . 1 . . . . . . . . 4136 1 468 . 1 1 46 46 LEU HB2 H 1 1.71 . . 2 . . . . . . . . 4136 1 469 . 1 1 46 46 LEU HB3 H 1 1.71 . . 2 . . . . . . . . 4136 1 470 . 1 1 46 46 LEU HG H 1 1.34 . . 1 . . . . . . . . 4136 1 471 . 1 1 46 46 LEU HD11 H 1 1.01 . . 2 . . . . . . . . 4136 1 472 . 1 1 46 46 LEU HD12 H 1 1.01 . . 2 . . . . . . . . 4136 1 473 . 1 1 46 46 LEU HD13 H 1 1.01 . . 2 . . . . . . . . 4136 1 474 . 1 1 46 46 LEU HD21 H 1 0.94 . . 2 . . . . . . . . 4136 1 475 . 1 1 46 46 LEU HD22 H 1 0.94 . . 2 . . . . . . . . 4136 1 476 . 1 1 46 46 LEU HD23 H 1 0.94 . . 2 . . . . . . . . 4136 1 477 . 1 1 46 46 LEU N N 15 119.1 . . 1 . . . . . . . . 4136 1 478 . 1 1 47 47 LEU H H 1 8.26 . . 1 . . . . . . . . 4136 1 479 . 1 1 47 47 LEU HA H 1 4.04 . . 1 . . . . . . . . 4136 1 480 . 1 1 47 47 LEU HB2 H 1 1.85 . . 2 . . . . . . . . 4136 1 481 . 1 1 47 47 LEU HB3 H 1 1.85 . . 2 . . . . . . . . 4136 1 482 . 1 1 47 47 LEU N N 15 122.2 . . 1 . . . . . . . . 4136 1 483 . 1 1 48 48 ALA H H 1 8.49 . . 1 . . . . . . . . 4136 1 484 . 1 1 48 48 ALA HA H 1 4.16 . . 1 . . . . . . . . 4136 1 485 . 1 1 48 48 ALA HB1 H 1 1.68 . . 1 . . . . . . . . 4136 1 486 . 1 1 48 48 ALA HB2 H 1 1.68 . . 1 . . . . . . . . 4136 1 487 . 1 1 48 48 ALA HB3 H 1 1.68 . . 1 . . . . . . . . 4136 1 488 . 1 1 48 48 ALA CA C 13 58.44 . . 1 . . . . . . . . 4136 1 489 . 1 1 48 48 ALA CB C 13 18.80 . . 1 . . . . . . . . 4136 1 490 . 1 1 48 48 ALA N N 15 121.4 . . 1 . . . . . . . . 4136 1 491 . 1 1 49 49 GLN H H 1 8.13 . . 1 . . . . . . . . 4136 1 492 . 1 1 49 49 GLN HA H 1 3.90 . . 1 . . . . . . . . 4136 1 493 . 1 1 49 49 GLN HB2 H 1 2.04 . . 2 . . . . . . . . 4136 1 494 . 1 1 49 49 GLN HB3 H 1 2.04 . . 2 . . . . . . . . 4136 1 495 . 1 1 49 49 GLN HE21 H 1 5.99 . . 2 . . . . . . . . 4136 1 496 . 1 1 49 49 GLN HE22 H 1 6.20 . . 2 . . . . . . . . 4136 1 497 . 1 1 49 49 GLN N N 15 114.8 . . 1 . . . . . . . . 4136 1 498 . 1 1 49 49 GLN NE2 N 15 106.8 . . 1 . . . . . . . . 4136 1 499 . 1 1 50 50 THR H H 1 7.89 . . 1 . . . . . . . . 4136 1 500 . 1 1 50 50 THR HA H 1 3.98 . . 1 . . . . . . . . 4136 1 501 . 1 1 50 50 THR HB H 1 4.41 . . 1 . . . . . . . . 4136 1 502 . 1 1 50 50 THR HG21 H 1 1.33 . . 1 . . . . . . . . 4136 1 503 . 1 1 50 50 THR HG22 H 1 1.33 . . 1 . . . . . . . . 4136 1 504 . 1 1 50 50 THR HG23 H 1 1.33 . . 1 . . . . . . . . 4136 1 505 . 1 1 50 50 THR C C 13 174.9 . . 1 . . . . . . . . 4136 1 506 . 1 1 50 50 THR N N 15 114.3 . . 1 . . . . . . . . 4136 1 507 . 1 1 51 51 LEU H H 1 8.14 . . 1 . . . . . . . . 4136 1 508 . 1 1 51 51 LEU HA H 1 4.06 . . 1 . . . . . . . . 4136 1 509 . 1 1 51 51 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 4136 1 510 . 1 1 51 51 LEU HB3 H 1 1.84 . . 2 . . . . . . . . 4136 1 511 . 1 1 51 51 LEU N N 15 119.8 . . 1 . . . . . . . . 4136 1 512 . 1 1 52 52 ALA H H 1 7.72 . . 1 . . . . . . . . 4136 1 513 . 1 1 52 52 ALA HA H 1 4.36 . . 1 . . . . . . . . 4136 1 514 . 1 1 52 52 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 4136 1 515 . 1 1 52 52 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 4136 1 516 . 1 1 52 52 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 4136 1 517 . 1 1 52 52 ALA C C 13 178.6 . . 1 . . . . . . . . 4136 1 518 . 1 1 52 52 ALA CB C 13 18.60 . . 1 . . . . . . . . 4136 1 519 . 1 1 52 52 ALA N N 15 117.7 . . 1 . . . . . . . . 4136 1 520 . 1 1 53 53 TYR H H 1 7.88 . . 1 . . . . . . . . 4136 1 521 . 1 1 53 53 TYR HA H 1 4.42 . . 1 . . . . . . . . 4136 1 522 . 1 1 53 53 TYR HB2 H 1 3.21 . . 2 . . . . . . . . 4136 1 523 . 1 1 53 53 TYR HB3 H 1 3.21 . . 2 . . . . . . . . 4136 1 524 . 1 1 53 53 TYR HD1 H 1 7.18 . . 3 . . . . . . . . 4136 1 525 . 1 1 53 53 TYR HD2 H 1 7.18 . . 3 . . . . . . . . 4136 1 526 . 1 1 53 53 TYR HE1 H 1 6.77 . . 3 . . . . . . . . 4136 1 527 . 1 1 53 53 TYR HE2 H 1 6.77 . . 3 . . . . . . . . 4136 1 528 . 1 1 53 53 TYR CA C 13 60.38 . . 1 . . . . . . . . 4136 1 529 . 1 1 53 53 TYR N N 15 117.0 . . 1 . . . . . . . . 4136 1 530 . 1 1 54 54 ILE H H 1 8.09 . . 1 . . . . . . . . 4136 1 531 . 1 1 54 54 ILE HA H 1 4.08 . . 1 . . . . . . . . 4136 1 532 . 1 1 54 54 ILE HB H 1 1.97 . . 1 . . . . . . . . 4136 1 533 . 1 1 54 54 ILE N N 15 119.1 . . 1 . . . . . . . . 4136 1 534 . 1 1 55 55 PRO HA H 1 4.20 . . 1 . . . . . . . . 4136 1 535 . 1 1 55 55 PRO HB2 H 1 2.24 . . 2 . . . . . . . . 4136 1 536 . 1 1 55 55 PRO HB3 H 1 2.30 . . 2 . . . . . . . . 4136 1 537 . 1 1 55 55 PRO HG2 H 1 2.03 . . 2 . . . . . . . . 4136 1 538 . 1 1 55 55 PRO HG3 H 1 2.03 . . 2 . . . . . . . . 4136 1 539 . 1 1 55 55 PRO HD2 H 1 3.94 . . 2 . . . . . . . . 4136 1 540 . 1 1 55 55 PRO HD3 H 1 3.77 . . 2 . . . . . . . . 4136 1 541 . 1 1 56 56 THR H H 1 7.34 . . 1 . . . . . . . . 4136 1 542 . 1 1 56 56 THR HA H 1 3.96 . . 1 . . . . . . . . 4136 1 543 . 1 1 56 56 THR HB H 1 3.92 . . 1 . . . . . . . . 4136 1 544 . 1 1 56 56 THR HG21 H 1 1.29 . . 1 . . . . . . . . 4136 1 545 . 1 1 56 56 THR HG22 H 1 1.29 . . 1 . . . . . . . . 4136 1 546 . 1 1 56 56 THR HG23 H 1 1.29 . . 1 . . . . . . . . 4136 1 547 . 1 1 56 56 THR C C 13 175.7 . . 1 . . . . . . . . 4136 1 548 . 1 1 56 56 THR N N 15 112.5 . . 1 . . . . . . . . 4136 1 549 . 1 1 57 57 GLY H H 1 8.29 . . 1 . . . . . . . . 4136 1 550 . 1 1 57 57 GLY HA2 H 1 3.84 . . 2 . . . . . . . . 4136 1 551 . 1 1 57 57 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 4136 1 552 . 1 1 57 57 GLY CA C 13 47.64 . . 1 . . . . . . . . 4136 1 553 . 1 1 57 57 GLY N N 15 109.6 . . 1 . . . . . . . . 4136 1 554 . 1 1 58 58 ILE H H 1 8.24 . . 1 . . . . . . . . 4136 1 555 . 1 1 58 58 ILE HA H 1 4.29 . . 1 . . . . . . . . 4136 1 556 . 1 1 58 58 ILE HB H 1 1.98 . . 1 . . . . . . . . 4136 1 557 . 1 1 58 58 ILE HG12 H 1 2.28 . . 2 . . . . . . . . 4136 1 558 . 1 1 58 58 ILE HD11 H 1 1.09 . . 1 . . . . . . . . 4136 1 559 . 1 1 58 58 ILE HD12 H 1 1.09 . . 1 . . . . . . . . 4136 1 560 . 1 1 58 58 ILE HD13 H 1 1.09 . . 1 . . . . . . . . 4136 1 561 . 1 1 58 58 ILE CA C 13 66.90 . . 1 . . . . . . . . 4136 1 562 . 1 1 58 58 ILE N N 15 121.6 . . 1 . . . . . . . . 4136 1 563 . 1 1 59 59 ALA H H 1 8.09 . . 1 . . . . . . . . 4136 1 564 . 1 1 59 59 ALA HA H 1 4.03 . . 1 . . . . . . . . 4136 1 565 . 1 1 59 59 ALA HB1 H 1 1.58 . . 1 . . . . . . . . 4136 1 566 . 1 1 59 59 ALA HB2 H 1 1.58 . . 1 . . . . . . . . 4136 1 567 . 1 1 59 59 ALA HB3 H 1 1.58 . . 1 . . . . . . . . 4136 1 568 . 1 1 59 59 ALA CA C 13 59.00 . . 1 . . . . . . . . 4136 1 569 . 1 1 59 59 ALA CB C 13 17.60 . . 1 . . . . . . . . 4136 1 570 . 1 1 59 59 ALA N N 15 121.4 . . 1 . . . . . . . . 4136 1 571 . 1 1 60 60 TYR H H 1 8.52 . . 1 . . . . . . . . 4136 1 572 . 1 1 60 60 TYR HA H 1 4.35 . . 1 . . . . . . . . 4136 1 573 . 1 1 60 60 TYR HB2 H 1 3.17 . . 2 . . . . . . . . 4136 1 574 . 1 1 60 60 TYR HB3 H 1 3.24 . . 2 . . . . . . . . 4136 1 575 . 1 1 60 60 TYR HD1 H 1 7.15 . . 3 . . . . . . . . 4136 1 576 . 1 1 60 60 TYR HD2 H 1 7.15 . . 3 . . . . . . . . 4136 1 577 . 1 1 60 60 TYR HE1 H 1 6.81 . . 3 . . . . . . . . 4136 1 578 . 1 1 60 60 TYR HE2 H 1 6.81 . . 3 . . . . . . . . 4136 1 579 . 1 1 60 60 TYR CA C 13 55.00 . . 1 . . . . . . . . 4136 1 580 . 1 1 60 60 TYR N N 15 116.7 . . 1 . . . . . . . . 4136 1 581 . 1 1 61 61 ALA H H 1 8.48 . . 1 . . . . . . . . 4136 1 582 . 1 1 61 61 ALA HA H 1 4.11 . . 1 . . . . . . . . 4136 1 583 . 1 1 61 61 ALA HB1 H 1 1.71 . . 1 . . . . . . . . 4136 1 584 . 1 1 61 61 ALA HB2 H 1 1.71 . . 1 . . . . . . . . 4136 1 585 . 1 1 61 61 ALA HB3 H 1 1.71 . . 1 . . . . . . . . 4136 1 586 . 1 1 61 61 ALA C C 13 177.8 . . 1 . . . . . . . . 4136 1 587 . 1 1 61 61 ALA CA C 13 58.60 . . 1 . . . . . . . . 4136 1 588 . 1 1 61 61 ALA CB C 13 24.40 . . 1 . . . . . . . . 4136 1 589 . 1 1 61 61 ALA N N 15 124.4 . . 1 . . . . . . . . 4136 1 590 . 1 1 62 62 ILE H H 1 8.45 . . 1 . . . . . . . . 4136 1 591 . 1 1 62 62 ILE HA H 1 4.02 . . 1 . . . . . . . . 4136 1 592 . 1 1 62 62 ILE HB H 1 2.00 . . 1 . . . . . . . . 4136 1 593 . 1 1 62 62 ILE HG12 H 1 1.32 . . 2 . . . . . . . . 4136 1 594 . 1 1 62 62 ILE HG13 H 1 1.80 . . 2 . . . . . . . . 4136 1 595 . 1 1 62 62 ILE HG21 H 1 0.85 . . 1 . . . . . . . . 4136 1 596 . 1 1 62 62 ILE HG22 H 1 0.85 . . 1 . . . . . . . . 4136 1 597 . 1 1 62 62 ILE HG23 H 1 0.85 . . 1 . . . . . . . . 4136 1 598 . 1 1 62 62 ILE HD11 H 1 0.99 . . 1 . . . . . . . . 4136 1 599 . 1 1 62 62 ILE HD12 H 1 0.99 . . 1 . . . . . . . . 4136 1 600 . 1 1 62 62 ILE HD13 H 1 0.99 . . 1 . . . . . . . . 4136 1 601 . 1 1 62 62 ILE C C 13 179.3 . . 1 . . . . . . . . 4136 1 602 . 1 1 62 62 ILE CA C 13 65.63 . . 1 . . . . . . . . 4136 1 603 . 1 1 62 62 ILE N N 15 119.1 . . 1 . . . . . . . . 4136 1 604 . 1 1 63 63 TRP H H 1 8.70 . . 1 . . . . . . . . 4136 1 605 . 1 1 63 63 TRP HA H 1 4.34 . . 1 . . . . . . . . 4136 1 606 . 1 1 63 63 TRP HB2 H 1 3.40 . . 2 . . . . . . . . 4136 1 607 . 1 1 63 63 TRP HB3 H 1 3.36 . . 2 . . . . . . . . 4136 1 608 . 1 1 63 63 TRP HD1 H 1 7.19 . . 1 . . . . . . . . 4136 1 609 . 1 1 63 63 TRP HE1 H 1 10.00 . . 1 . . . . . . . . 4136 1 610 . 1 1 63 63 TRP HE3 H 1 7.56 . . 1 . . . . . . . . 4136 1 611 . 1 1 63 63 TRP HZ2 H 1 7.42 . . 1 . . . . . . . . 4136 1 612 . 1 1 63 63 TRP HZ3 H 1 7.09 . . 1 . . . . . . . . 4136 1 613 . 1 1 63 63 TRP HH2 H 1 7.16 . . 1 . . . . . . . . 4136 1 614 . 1 1 63 63 TRP N N 15 119.9 . . 1 . . . . . . . . 4136 1 615 . 1 1 63 63 TRP NE1 N 15 126.3 . . 1 . . . . . . . . 4136 1 616 . 1 1 64 64 SER H H 1 8.54 . . 1 . . . . . . . . 4136 1 617 . 1 1 64 64 SER HA H 1 4.11 . . 1 . . . . . . . . 4136 1 618 . 1 1 64 64 SER HB2 H 1 3.78 . . 2 . . . . . . . . 4136 1 619 . 1 1 64 64 SER HB3 H 1 3.78 . . 2 . . . . . . . . 4136 1 620 . 1 1 64 64 SER C C 13 176.0 . . 1 . . . . . . . . 4136 1 621 . 1 1 64 64 SER CA C 13 62.28 . . 1 . . . . . . . . 4136 1 622 . 1 1 64 64 SER N N 15 113.9 . . 1 . . . . . . . . 4136 1 623 . 1 1 65 65 GLY H H 1 8.13 . . 1 . . . . . . . . 4136 1 624 . 1 1 65 65 GLY HA2 H 1 3.81 . . 2 . . . . . . . . 4136 1 625 . 1 1 65 65 GLY HA3 H 1 3.93 . . 2 . . . . . . . . 4136 1 626 . 1 1 65 65 GLY C C 13 175.9 . . 1 . . . . . . . . 4136 1 627 . 1 1 65 65 GLY CA C 13 47.50 . . 1 . . . . . . . . 4136 1 628 . 1 1 65 65 GLY N N 15 109.9 . . 1 . . . . . . . . 4136 1 629 . 1 1 66 66 VAL H H 1 8.36 . . 1 . . . . . . . . 4136 1 630 . 1 1 66 66 VAL HA H 1 3.62 . . 1 . . . . . . . . 4136 1 631 . 1 1 66 66 VAL HB H 1 2.26 . . 1 . . . . . . . . 4136 1 632 . 1 1 66 66 VAL HG11 H 1 1.09 . . 2 . . . . . . . . 4136 1 633 . 1 1 66 66 VAL HG12 H 1 1.09 . . 2 . . . . . . . . 4136 1 634 . 1 1 66 66 VAL HG13 H 1 1.09 . . 2 . . . . . . . . 4136 1 635 . 1 1 66 66 VAL HG21 H 1 0.99 . . 2 . . . . . . . . 4136 1 636 . 1 1 66 66 VAL HG22 H 1 0.99 . . 2 . . . . . . . . 4136 1 637 . 1 1 66 66 VAL HG23 H 1 0.99 . . 2 . . . . . . . . 4136 1 638 . 1 1 66 66 VAL CA C 13 66.97 . . 1 . . . . . . . . 4136 1 639 . 1 1 66 66 VAL N N 15 121.3 . . 1 . . . . . . . . 4136 1 640 . 1 1 67 67 GLY H H 1 8.12 . . 1 . . . . . . . . 4136 1 641 . 1 1 67 67 GLY HA2 H 1 3.83 . . 2 . . . . . . . . 4136 1 642 . 1 1 67 67 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 4136 1 643 . 1 1 67 67 GLY C C 13 178.9 . . 1 . . . . . . . . 4136 1 644 . 1 1 67 67 GLY N N 15 106.0 . . 1 . . . . . . . . 4136 1 645 . 1 1 68 68 ILE H H 1 8.60 . . 1 . . . . . . . . 4136 1 646 . 1 1 68 68 ILE HA H 1 3.85 . . 1 . . . . . . . . 4136 1 647 . 1 1 68 68 ILE HB H 1 2.01 . . 1 . . . . . . . . 4136 1 648 . 1 1 68 68 ILE HG12 H 1 1.22 . . 2 . . . . . . . . 4136 1 649 . 1 1 68 68 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 4136 1 650 . 1 1 68 68 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 4136 1 651 . 1 1 68 68 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 4136 1 652 . 1 1 68 68 ILE HD11 H 1 0.92 . . 1 . . . . . . . . 4136 1 653 . 1 1 68 68 ILE HD12 H 1 0.92 . . 1 . . . . . . . . 4136 1 654 . 1 1 68 68 ILE HD13 H 1 0.92 . . 1 . . . . . . . . 4136 1 655 . 1 1 68 68 ILE C C 13 179.3 . . 1 . . . . . . . . 4136 1 656 . 1 1 68 68 ILE N N 15 117.2 . . 1 . . . . . . . . 4136 1 657 . 1 1 69 69 VAL H H 1 8.29 . . 1 . . . . . . . . 4136 1 658 . 1 1 69 69 VAL HA H 1 3.90 . . 1 . . . . . . . . 4136 1 659 . 1 1 69 69 VAL HB H 1 1.97 . . 1 . . . . . . . . 4136 1 660 . 1 1 69 69 VAL C C 13 175.5 . . 1 . . . . . . . . 4136 1 661 . 1 1 69 69 VAL CA C 13 63.27 . . 1 . . . . . . . . 4136 1 662 . 1 1 69 69 VAL CB C 13 36.90 . . 1 . . . . . . . . 4136 1 663 . 1 1 69 69 VAL CG1 C 13 21.20 . . 2 . . . . . . . . 4136 1 664 . 1 1 69 69 VAL CG2 C 13 21.20 . . 2 . . . . . . . . 4136 1 665 . 1 1 69 69 VAL N N 15 119.6 . . 1 . . . . . . . . 4136 1 666 . 1 1 70 70 LEU H H 1 8.47 . . 1 . . . . . . . . 4136 1 667 . 1 1 70 70 LEU HA H 1 4.24 . . 1 . . . . . . . . 4136 1 668 . 1 1 70 70 LEU HB2 H 1 1.67 . . 2 . . . . . . . . 4136 1 669 . 1 1 70 70 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 4136 1 670 . 1 1 70 70 LEU HG H 1 1.36 . . 1 . . . . . . . . 4136 1 671 . 1 1 70 70 LEU C C 13 179.5 . . 1 . . . . . . . . 4136 1 672 . 1 1 70 70 LEU CA C 13 58.44 . . 1 . . . . . . . . 4136 1 673 . 1 1 70 70 LEU N N 15 122.8 . . 1 . . . . . . . . 4136 1 674 . 1 1 71 71 ILE H H 1 8.51 . . 1 . . . . . . . . 4136 1 675 . 1 1 71 71 ILE HA H 1 4.19 . . 1 . . . . . . . . 4136 1 676 . 1 1 71 71 ILE HB H 1 1.97 . . 1 . . . . . . . . 4136 1 677 . 1 1 71 71 ILE HG12 H 1 1.66 . . 2 . . . . . . . . 4136 1 678 . 1 1 71 71 ILE HD11 H 1 0.97 . . 1 . . . . . . . . 4136 1 679 . 1 1 71 71 ILE HD12 H 1 0.97 . . 1 . . . . . . . . 4136 1 680 . 1 1 71 71 ILE HD13 H 1 0.97 . . 1 . . . . . . . . 4136 1 681 . 1 1 71 71 ILE C C 13 179.1 . . 1 . . . . . . . . 4136 1 682 . 1 1 71 71 ILE CA C 13 58.19 . . 1 . . . . . . . . 4136 1 683 . 1 1 71 71 ILE N N 15 118.9 . . 1 . . . . . . . . 4136 1 684 . 1 1 72 72 SER H H 1 8.32 . . 1 . . . . . . . . 4136 1 685 . 1 1 72 72 SER HA H 1 4.32 . . 1 . . . . . . . . 4136 1 686 . 1 1 72 72 SER HB2 H 1 3.98 . . 2 . . . . . . . . 4136 1 687 . 1 1 72 72 SER HB3 H 1 3.98 . . 2 . . . . . . . . 4136 1 688 . 1 1 72 72 SER C C 13 174.9 . . 1 . . . . . . . . 4136 1 689 . 1 1 72 72 SER CA C 13 62.62 . . 1 . . . . . . . . 4136 1 690 . 1 1 72 72 SER N N 15 114.2 . . 1 . . . . . . . . 4136 1 691 . 1 1 73 73 LEU H H 1 8.05 . . 1 . . . . . . . . 4136 1 692 . 1 1 73 73 LEU HA H 1 3.83 . . 1 . . . . . . . . 4136 1 693 . 1 1 73 73 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 4136 1 694 . 1 1 73 73 LEU HB3 H 1 1.84 . . 2 . . . . . . . . 4136 1 695 . 1 1 73 73 LEU CA C 13 64.69 . . 1 . . . . . . . . 4136 1 696 . 1 1 73 73 LEU N N 15 120.3 . . 1 . . . . . . . . 4136 1 697 . 1 1 74 74 LEU H H 1 8.54 . . 1 . . . . . . . . 4136 1 698 . 1 1 74 74 LEU HA H 1 4.10 . . 1 . . . . . . . . 4136 1 699 . 1 1 74 74 LEU HB2 H 1 1.71 . . 2 . . . . . . . . 4136 1 700 . 1 1 74 74 LEU HB3 H 1 1.93 . . 2 . . . . . . . . 4136 1 701 . 1 1 74 74 LEU HD11 H 1 1.12 . . 2 . . . . . . . . 4136 1 702 . 1 1 74 74 LEU HD12 H 1 1.12 . . 2 . . . . . . . . 4136 1 703 . 1 1 74 74 LEU HD13 H 1 1.12 . . 2 . . . . . . . . 4136 1 704 . 1 1 74 74 LEU HD21 H 1 0.98 . . 2 . . . . . . . . 4136 1 705 . 1 1 74 74 LEU HD22 H 1 0.98 . . 2 . . . . . . . . 4136 1 706 . 1 1 74 74 LEU HD23 H 1 0.98 . . 2 . . . . . . . . 4136 1 707 . 1 1 74 74 LEU C C 13 179.0 . . 1 . . . . . . . . 4136 1 708 . 1 1 74 74 LEU CA C 13 58.87 . . 1 . . . . . . . . 4136 1 709 . 1 1 74 74 LEU N N 15 119.6 . . 1 . . . . . . . . 4136 1 710 . 1 1 75 75 SER H H 1 8.05 . . 1 . . . . . . . . 4136 1 711 . 1 1 75 75 SER HA H 1 3.60 . . 1 . . . . . . . . 4136 1 712 . 1 1 75 75 SER HB2 H 1 3.84 . . 2 . . . . . . . . 4136 1 713 . 1 1 75 75 SER HB3 H 1 3.84 . . 2 . . . . . . . . 4136 1 714 . 1 1 75 75 SER C C 13 175.7 . . 1 . . . . . . . . 4136 1 715 . 1 1 75 75 SER CA C 13 62.60 . . 1 . . . . . . . . 4136 1 716 . 1 1 75 75 SER N N 15 123.4 . . 1 . . . . . . . . 4136 1 717 . 1 1 76 76 TRP H H 1 8.33 . . 1 . . . . . . . . 4136 1 718 . 1 1 76 76 TRP HA H 1 4.52 . . 1 . . . . . . . . 4136 1 719 . 1 1 76 76 TRP HB2 H 1 3.53 . . 2 . . . . . . . . 4136 1 720 . 1 1 76 76 TRP HB3 H 1 3.47 . . 2 . . . . . . . . 4136 1 721 . 1 1 76 76 TRP HD1 H 1 7.30 . . 1 . . . . . . . . 4136 1 722 . 1 1 76 76 TRP HE1 H 1 10.08 . . 1 . . . . . . . . 4136 1 723 . 1 1 76 76 TRP HE3 H 1 7.65 . . 1 . . . . . . . . 4136 1 724 . 1 1 76 76 TRP HZ2 H 1 7.42 . . 1 . . . . . . . . 4136 1 725 . 1 1 76 76 TRP HZ3 H 1 7.04 . . 1 . . . . . . . . 4136 1 726 . 1 1 76 76 TRP HH2 H 1 7.16 . . 1 . . . . . . . . 4136 1 727 . 1 1 76 76 TRP C C 13 178.4 . . 1 . . . . . . . . 4136 1 728 . 1 1 76 76 TRP CA C 13 60.30 . . 1 . . . . . . . . 4136 1 729 . 1 1 76 76 TRP CB C 13 29.60 . . 1 . . . . . . . . 4136 1 730 . 1 1 76 76 TRP N N 15 122.5 . . 1 . . . . . . . . 4136 1 731 . 1 1 76 76 TRP NE1 N 15 127.4 . . 1 . . . . . . . . 4136 1 732 . 1 1 77 77 GLY H H 1 8.44 . . 1 . . . . . . . . 4136 1 733 . 1 1 77 77 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 4136 1 734 . 1 1 77 77 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 4136 1 735 . 1 1 77 77 GLY C C 13 178.0 . . 1 . . . . . . . . 4136 1 736 . 1 1 77 77 GLY CA C 13 46.70 . . 1 . . . . . . . . 4136 1 737 . 1 1 77 77 GLY N N 15 105.6 . . 1 . . . . . . . . 4136 1 738 . 1 1 78 78 PHE H H 1 8.21 . . 1 . . . . . . . . 4136 1 739 . 1 1 78 78 PHE HA H 1 4.39 . . 1 . . . . . . . . 4136 1 740 . 1 1 78 78 PHE HB2 H 1 2.96 . . 2 . . . . . . . . 4136 1 741 . 1 1 78 78 PHE HB3 H 1 2.88 . . 2 . . . . . . . . 4136 1 742 . 1 1 78 78 PHE HD1 H 1 6.98 . . 3 . . . . . . . . 4136 1 743 . 1 1 78 78 PHE HD2 H 1 6.98 . . 3 . . . . . . . . 4136 1 744 . 1 1 78 78 PHE HE1 H 1 7.20 . . 3 . . . . . . . . 4136 1 745 . 1 1 78 78 PHE HE2 H 1 7.20 . . 3 . . . . . . . . 4136 1 746 . 1 1 78 78 PHE C C 13 176.8 . . 1 . . . . . . . . 4136 1 747 . 1 1 78 78 PHE CA C 13 60.42 . . 1 . . . . . . . . 4136 1 748 . 1 1 78 78 PHE CB C 13 39.50 . . 1 . . . . . . . . 4136 1 749 . 1 1 78 78 PHE N N 15 119.3 . . 1 . . . . . . . . 4136 1 750 . 1 1 79 79 PHE H H 1 8.26 . . 1 . . . . . . . . 4136 1 751 . 1 1 79 79 PHE HA H 1 4.49 . . 1 . . . . . . . . 4136 1 752 . 1 1 79 79 PHE HB2 H 1 3.12 . . 2 . . . . . . . . 4136 1 753 . 1 1 79 79 PHE HB3 H 1 3.32 . . 2 . . . . . . . . 4136 1 754 . 1 1 79 79 PHE HD1 H 1 7.37 . . 3 . . . . . . . . 4136 1 755 . 1 1 79 79 PHE HD2 H 1 7.37 . . 3 . . . . . . . . 4136 1 756 . 1 1 79 79 PHE HE1 H 1 7.28 . . 3 . . . . . . . . 4136 1 757 . 1 1 79 79 PHE HE2 H 1 7.28 . . 3 . . . . . . . . 4136 1 758 . 1 1 79 79 PHE C C 13 176.8 . . 1 . . . . . . . . 4136 1 759 . 1 1 79 79 PHE CA C 13 59.78 . . 1 . . . . . . . . 4136 1 760 . 1 1 79 79 PHE CB C 13 39.40 . . 1 . . . . . . . . 4136 1 761 . 1 1 79 79 PHE N N 15 116.4 . . 1 . . . . . . . . 4136 1 762 . 1 1 80 80 GLY H H 1 8.21 . . 1 . . . . . . . . 4136 1 763 . 1 1 80 80 GLY HA2 H 1 3.75 . . 2 . . . . . . . . 4136 1 764 . 1 1 80 80 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 4136 1 765 . 1 1 80 80 GLY C C 13 173.8 . . 1 . . . . . . . . 4136 1 766 . 1 1 80 80 GLY CA C 13 46.00 . . 1 . . . . . . . . 4136 1 767 . 1 1 80 80 GLY N N 15 106.3 . . 1 . . . . . . . . 4136 1 768 . 1 1 81 81 GLN H H 1 7.68 . . 1 . . . . . . . . 4136 1 769 . 1 1 81 81 GLN HA H 1 4.26 . . 1 . . . . . . . . 4136 1 770 . 1 1 81 81 GLN HB2 H 1 2.05 . . 2 . . . . . . . . 4136 1 771 . 1 1 81 81 GLN HB3 H 1 2.16 . . 2 . . . . . . . . 4136 1 772 . 1 1 81 81 GLN HG2 H 1 2.33 . . 2 . . . . . . . . 4136 1 773 . 1 1 81 81 GLN HG3 H 1 2.33 . . 2 . . . . . . . . 4136 1 774 . 1 1 81 81 GLN HE21 H 1 6.33 . . 2 . . . . . . . . 4136 1 775 . 1 1 81 81 GLN HE22 H 1 7.40 . . 2 . . . . . . . . 4136 1 776 . 1 1 81 81 GLN C C 13 173.8 . . 1 . . . . . . . . 4136 1 777 . 1 1 81 81 GLN CA C 13 55.80 . . 1 . . . . . . . . 4136 1 778 . 1 1 81 81 GLN CB C 13 33.80 . . 1 . . . . . . . . 4136 1 779 . 1 1 81 81 GLN N N 15 116.8 . . 1 . . . . . . . . 4136 1 780 . 1 1 81 81 GLN NE2 N 15 108.8 . . 1 . . . . . . . . 4136 1 781 . 1 1 82 82 ARG H H 1 7.89 . . 1 . . . . . . . . 4136 1 782 . 1 1 82 82 ARG HA H 1 4.42 . . 1 . . . . . . . . 4136 1 783 . 1 1 82 82 ARG HB2 H 1 1.88 . . 2 . . . . . . . . 4136 1 784 . 1 1 82 82 ARG HB3 H 1 2.14 . . 2 . . . . . . . . 4136 1 785 . 1 1 82 82 ARG HD2 H 1 3.16 . . 2 . . . . . . . . 4136 1 786 . 1 1 82 82 ARG HD3 H 1 3.16 . . 2 . . . . . . . . 4136 1 787 . 1 1 82 82 ARG C C 13 176.3 . . 1 . . . . . . . . 4136 1 788 . 1 1 82 82 ARG CA C 13 55.10 . . 1 . . . . . . . . 4136 1 789 . 1 1 82 82 ARG CB C 13 30.00 . . 1 . . . . . . . . 4136 1 790 . 1 1 82 82 ARG CG C 13 26.20 . . 1 . . . . . . . . 4136 1 791 . 1 1 82 82 ARG CD C 13 42.50 . . 1 . . . . . . . . 4136 1 792 . 1 1 82 82 ARG N N 15 118.1 . . 1 . . . . . . . . 4136 1 793 . 1 1 83 83 LEU H H 1 8.24 . . 1 . . . . . . . . 4136 1 794 . 1 1 83 83 LEU HA H 1 4.28 . . 1 . . . . . . . . 4136 1 795 . 1 1 83 83 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 4136 1 796 . 1 1 83 83 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 4136 1 797 . 1 1 83 83 LEU HG H 1 1.75 . . 1 . . . . . . . . 4136 1 798 . 1 1 83 83 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4136 1 799 . 1 1 83 83 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4136 1 800 . 1 1 83 83 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4136 1 801 . 1 1 83 83 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4136 1 802 . 1 1 83 83 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4136 1 803 . 1 1 83 83 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4136 1 804 . 1 1 83 83 LEU C C 13 176.0 . . 1 . . . . . . . . 4136 1 805 . 1 1 83 83 LEU CA C 13 55.40 . . 1 . . . . . . . . 4136 1 806 . 1 1 83 83 LEU CB C 13 41.80 . . 1 . . . . . . . . 4136 1 807 . 1 1 83 83 LEU CG C 13 27.10 . . 1 . . . . . . . . 4136 1 808 . 1 1 83 83 LEU CD1 C 13 24.90 . . 2 . . . . . . . . 4136 1 809 . 1 1 83 83 LEU CD2 C 13 23.30 . . 2 . . . . . . . . 4136 1 810 . 1 1 83 83 LEU N N 15 120.7 . . 1 . . . . . . . . 4136 1 811 . 1 1 84 84 ASP H H 1 8.60 . . 1 . . . . . . . . 4136 1 812 . 1 1 84 84 ASP HA H 1 4.54 . . 1 . . . . . . . . 4136 1 813 . 1 1 84 84 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 4136 1 814 . 1 1 84 84 ASP HB3 H 1 2.78 . . 2 . . . . . . . . 4136 1 815 . 1 1 84 84 ASP C C 13 176.7 . . 1 . . . . . . . . 4136 1 816 . 1 1 84 84 ASP CA C 13 54.00 . . 1 . . . . . . . . 4136 1 817 . 1 1 84 84 ASP CB C 13 39.80 . . 1 . . . . . . . . 4136 1 818 . 1 1 84 84 ASP N N 15 116.2 . . 1 . . . . . . . . 4136 1 819 . 1 1 85 85 LEU H H 1 7.91 . . 1 . . . . . . . . 4136 1 820 . 1 1 85 85 LEU HA H 1 4.32 . . 1 . . . . . . . . 4136 1 821 . 1 1 85 85 LEU HB2 H 1 1.80 . . 2 . . . . . . . . 4136 1 822 . 1 1 85 85 LEU HB3 H 1 1.80 . . 2 . . . . . . . . 4136 1 823 . 1 1 85 85 LEU HG H 1 1.75 . . 1 . . . . . . . . 4136 1 824 . 1 1 85 85 LEU HD11 H 1 1.05 . . 2 . . . . . . . . 4136 1 825 . 1 1 85 85 LEU HD12 H 1 1.05 . . 2 . . . . . . . . 4136 1 826 . 1 1 85 85 LEU HD13 H 1 1.05 . . 2 . . . . . . . . 4136 1 827 . 1 1 85 85 LEU HD21 H 1 1.00 . . 2 . . . . . . . . 4136 1 828 . 1 1 85 85 LEU HD22 H 1 1.00 . . 2 . . . . . . . . 4136 1 829 . 1 1 85 85 LEU HD23 H 1 1.00 . . 2 . . . . . . . . 4136 1 830 . 1 1 85 85 LEU CA C 13 59.35 . . 1 . . . . . . . . 4136 1 831 . 1 1 85 85 LEU N N 15 119.9 . . 1 . . . . . . . . 4136 1 832 . 1 1 86 86 PRO HA H 1 4.21 . . 1 . . . . . . . . 4136 1 833 . 1 1 86 86 PRO HB2 H 1 2.27 . . 2 . . . . . . . . 4136 1 834 . 1 1 86 86 PRO HB3 H 1 2.27 . . 2 . . . . . . . . 4136 1 835 . 1 1 86 86 PRO HG2 H 1 1.93 . . 2 . . . . . . . . 4136 1 836 . 1 1 86 86 PRO HG3 H 1 1.93 . . 2 . . . . . . . . 4136 1 837 . 1 1 86 86 PRO HD2 H 1 3.94 . . 2 . . . . . . . . 4136 1 838 . 1 1 86 86 PRO HD3 H 1 3.68 . . 2 . . . . . . . . 4136 1 839 . 1 1 86 86 PRO C C 13 178.0 . . 1 . . . . . . . . 4136 1 840 . 1 1 86 86 PRO CA C 13 66.10 . . 1 . . . . . . . . 4136 1 841 . 1 1 86 86 PRO CB C 13 30.40 . . 1 . . . . . . . . 4136 1 842 . 1 1 86 86 PRO CG C 13 28.20 . . 1 . . . . . . . . 4136 1 843 . 1 1 86 86 PRO CD C 13 49.50 . . 1 . . . . . . . . 4136 1 844 . 1 1 87 87 ALA H H 1 7.46 . . 1 . . . . . . . . 4136 1 845 . 1 1 87 87 ALA HA H 1 4.22 . . 1 . . . . . . . . 4136 1 846 . 1 1 87 87 ALA HB1 H 1 1.60 . . 1 . . . . . . . . 4136 1 847 . 1 1 87 87 ALA HB2 H 1 1.60 . . 1 . . . . . . . . 4136 1 848 . 1 1 87 87 ALA HB3 H 1 1.60 . . 1 . . . . . . . . 4136 1 849 . 1 1 87 87 ALA C C 13 179.1 . . 1 . . . . . . . . 4136 1 850 . 1 1 87 87 ALA CA C 13 55.09 . . 1 . . . . . . . . 4136 1 851 . 1 1 87 87 ALA CB C 13 18.40 . . 1 . . . . . . . . 4136 1 852 . 1 1 87 87 ALA N N 15 118.2 . . 1 . . . . . . . . 4136 1 853 . 1 1 88 88 ILE H H 1 7.99 . . 1 . . . . . . . . 4136 1 854 . 1 1 88 88 ILE HA H 1 3.78 . . 1 . . . . . . . . 4136 1 855 . 1 1 88 88 ILE HB H 1 2.09 . . 1 . . . . . . . . 4136 1 856 . 1 1 88 88 ILE HG12 H 1 1.21 . . 2 . . . . . . . . 4136 1 857 . 1 1 88 88 ILE HG13 H 1 1.82 . . 2 . . . . . . . . 4136 1 858 . 1 1 88 88 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 4136 1 859 . 1 1 88 88 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 4136 1 860 . 1 1 88 88 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 4136 1 861 . 1 1 88 88 ILE HD11 H 1 0.90 . . 1 . . . . . . . . 4136 1 862 . 1 1 88 88 ILE HD12 H 1 0.90 . . 1 . . . . . . . . 4136 1 863 . 1 1 88 88 ILE HD13 H 1 0.90 . . 1 . . . . . . . . 4136 1 864 . 1 1 88 88 ILE C C 13 177.8 . . 1 . . . . . . . . 4136 1 865 . 1 1 88 88 ILE CA C 13 64.90 . . 1 . . . . . . . . 4136 1 866 . 1 1 88 88 ILE CB C 13 37.80 . . 1 . . . . . . . . 4136 1 867 . 1 1 88 88 ILE CG1 C 13 28.70 . . 1 . . . . . . . . 4136 1 868 . 1 1 88 88 ILE CG2 C 13 17.50 . . 1 . . . . . . . . 4136 1 869 . 1 1 88 88 ILE CD1 C 13 13.30 . . 1 . . . . . . . . 4136 1 870 . 1 1 88 88 ILE N N 15 119.0 . . 1 . . . . . . . . 4136 1 871 . 1 1 89 89 ILE H H 1 8.33 . . 1 . . . . . . . . 4136 1 872 . 1 1 89 89 ILE HA H 1 3.77 . . 1 . . . . . . . . 4136 1 873 . 1 1 89 89 ILE HB H 1 2.03 . . 1 . . . . . . . . 4136 1 874 . 1 1 89 89 ILE HG12 H 1 1.28 . . 2 . . . . . . . . 4136 1 875 . 1 1 89 89 ILE HG13 H 1 1.98 . . 2 . . . . . . . . 4136 1 876 . 1 1 89 89 ILE HD11 H 1 1.00 . . 1 . . . . . . . . 4136 1 877 . 1 1 89 89 ILE HD12 H 1 1.00 . . 1 . . . . . . . . 4136 1 878 . 1 1 89 89 ILE HD13 H 1 1.00 . . 1 . . . . . . . . 4136 1 879 . 1 1 89 89 ILE C C 13 178.2 . . 1 . . . . . . . . 4136 1 880 . 1 1 89 89 ILE CA C 13 64.90 . . 1 . . . . . . . . 4136 1 881 . 1 1 89 89 ILE CB C 13 36.90 . . 1 . . . . . . . . 4136 1 882 . 1 1 89 89 ILE CG1 C 13 28.70 . . 1 . . . . . . . . 4136 1 883 . 1 1 89 89 ILE CD1 C 13 17.40 . . 1 . . . . . . . . 4136 1 884 . 1 1 89 89 ILE N N 15 119.5 . . 1 . . . . . . . . 4136 1 885 . 1 1 90 90 GLY H H 1 8.38 . . 1 . . . . . . . . 4136 1 886 . 1 1 90 90 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 4136 1 887 . 1 1 90 90 GLY HA3 H 1 3.86 . . 2 . . . . . . . . 4136 1 888 . 1 1 90 90 GLY C C 13 175.0 . . 1 . . . . . . . . 4136 1 889 . 1 1 90 90 GLY CA C 13 47.80 . . 1 . . . . . . . . 4136 1 890 . 1 1 90 90 GLY N N 15 105.9 . . 1 . . . . . . . . 4136 1 891 . 1 1 91 91 MET H H 1 8.24 . . 1 . . . . . . . . 4136 1 892 . 1 1 91 91 MET HA H 1 4.30 . . 1 . . . . . . . . 4136 1 893 . 1 1 91 91 MET HB2 H 1 2.38 . . 2 . . . . . . . . 4136 1 894 . 1 1 91 91 MET HB3 H 1 2.28 . . 2 . . . . . . . . 4136 1 895 . 1 1 91 91 MET HG2 H 1 2.68 . . 2 . . . . . . . . 4136 1 896 . 1 1 91 91 MET HG3 H 1 2.80 . . 2 . . . . . . . . 4136 1 897 . 1 1 91 91 MET C C 13 178.5 . . 1 . . . . . . . . 4136 1 898 . 1 1 91 91 MET CA C 13 58.60 . . 1 . . . . . . . . 4136 1 899 . 1 1 91 91 MET CB C 13 32.60 . . 1 . . . . . . . . 4136 1 900 . 1 1 91 91 MET CG C 13 32.60 . . 1 . . . . . . . . 4136 1 901 . 1 1 91 91 MET N N 15 119.7 . . 1 . . . . . . . . 4136 1 902 . 1 1 92 92 MET H H 1 8.46 . . 1 . . . . . . . . 4136 1 903 . 1 1 92 92 MET HA H 1 4.11 . . 1 . . . . . . . . 4136 1 904 . 1 1 92 92 MET HB2 H 1 2.22 . . 2 . . . . . . . . 4136 1 905 . 1 1 92 92 MET HB3 H 1 2.90 . . 2 . . . . . . . . 4136 1 906 . 1 1 92 92 MET HG2 H 1 2.47 . . 2 . . . . . . . . 4136 1 907 . 1 1 92 92 MET HG3 H 1 2.51 . . 2 . . . . . . . . 4136 1 908 . 1 1 92 92 MET C C 13 178.3 . . 1 . . . . . . . . 4136 1 909 . 1 1 92 92 MET CA C 13 59.70 . . 1 . . . . . . . . 4136 1 910 . 1 1 92 92 MET CB C 13 32.60 . . 1 . . . . . . . . 4136 1 911 . 1 1 92 92 MET CG C 13 32.60 . . 1 . . . . . . . . 4136 1 912 . 1 1 92 92 MET N N 15 119.8 . . 1 . . . . . . . . 4136 1 913 . 1 1 93 93 LEU H H 1 8.40 . . 1 . . . . . . . . 4136 1 914 . 1 1 93 93 LEU HA H 1 4.13 . . 1 . . . . . . . . 4136 1 915 . 1 1 93 93 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 4136 1 916 . 1 1 93 93 LEU HB3 H 1 2.14 . . 2 . . . . . . . . 4136 1 917 . 1 1 93 93 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4136 1 918 . 1 1 93 93 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4136 1 919 . 1 1 93 93 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4136 1 920 . 1 1 93 93 LEU HD21 H 1 0.94 . . 2 . . . . . . . . 4136 1 921 . 1 1 93 93 LEU HD22 H 1 0.94 . . 2 . . . . . . . . 4136 1 922 . 1 1 93 93 LEU HD23 H 1 0.94 . . 2 . . . . . . . . 4136 1 923 . 1 1 93 93 LEU C C 13 179.7 . . 1 . . . . . . . . 4136 1 924 . 1 1 93 93 LEU CA C 13 58.10 . . 1 . . . . . . . . 4136 1 925 . 1 1 93 93 LEU CB C 13 41.60 . . 1 . . . . . . . . 4136 1 926 . 1 1 93 93 LEU CD1 C 13 29.60 . . 2 . . . . . . . . 4136 1 927 . 1 1 93 93 LEU CD2 C 13 26.30 . . 2 . . . . . . . . 4136 1 928 . 1 1 93 93 LEU N N 15 119.6 . . 1 . . . . . . . . 4136 1 929 . 1 1 94 94 ILE H H 1 8.22 . . 1 . . . . . . . . 4136 1 930 . 1 1 94 94 ILE HA H 1 3.84 . . 1 . . . . . . . . 4136 1 931 . 1 1 94 94 ILE HB H 1 2.16 . . 1 . . . . . . . . 4136 1 932 . 1 1 94 94 ILE HG12 H 1 2.06 . . 2 . . . . . . . . 4136 1 933 . 1 1 94 94 ILE HG21 H 1 1.04 . . 1 . . . . . . . . 4136 1 934 . 1 1 94 94 ILE HG22 H 1 1.04 . . 1 . . . . . . . . 4136 1 935 . 1 1 94 94 ILE HG23 H 1 1.04 . . 1 . . . . . . . . 4136 1 936 . 1 1 94 94 ILE HD11 H 1 0.92 . . 1 . . . . . . . . 4136 1 937 . 1 1 94 94 ILE HD12 H 1 0.92 . . 1 . . . . . . . . 4136 1 938 . 1 1 94 94 ILE HD13 H 1 0.92 . . 1 . . . . . . . . 4136 1 939 . 1 1 94 94 ILE C C 13 178.2 . . 1 . . . . . . . . 4136 1 940 . 1 1 94 94 ILE CA C 13 65.00 . . 1 . . . . . . . . 4136 1 941 . 1 1 94 94 ILE CB C 13 37.40 . . 1 . . . . . . . . 4136 1 942 . 1 1 94 94 ILE CG1 C 13 29.00 . . 1 . . . . . . . . 4136 1 943 . 1 1 94 94 ILE CD1 C 13 17.20 . . 1 . . . . . . . . 4136 1 944 . 1 1 94 94 ILE N N 15 120.3 . . 1 . . . . . . . . 4136 1 945 . 1 1 95 95 CYS H H 1 8.38 . . 1 . . . . . . . . 4136 1 946 . 1 1 95 95 CYS HA H 1 4.07 . . 1 . . . . . . . . 4136 1 947 . 1 1 95 95 CYS HB2 H 1 3.26 . . 2 . . . . . . . . 4136 1 948 . 1 1 95 95 CYS HB3 H 1 2.88 . . 2 . . . . . . . . 4136 1 949 . 1 1 95 95 CYS C C 13 175.9 . . 1 . . . . . . . . 4136 1 950 . 1 1 95 95 CYS CA C 13 64.51 . . 1 . . . . . . . . 4136 1 951 . 1 1 95 95 CYS CB C 13 27.10 . . 1 . . . . . . . . 4136 1 952 . 1 1 95 95 CYS N N 15 117.5 . . 1 . . . . . . . . 4136 1 953 . 1 1 96 96 ALA H H 1 8.52 . . 1 . . . . . . . . 4136 1 954 . 1 1 96 96 ALA HA H 1 4.12 . . 1 . . . . . . . . 4136 1 955 . 1 1 96 96 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 4136 1 956 . 1 1 96 96 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 4136 1 957 . 1 1 96 96 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 4136 1 958 . 1 1 96 96 ALA C C 13 179.0 . . 1 . . . . . . . . 4136 1 959 . 1 1 96 96 ALA CA C 13 55.40 . . 1 . . . . . . . . 4136 1 960 . 1 1 96 96 ALA CB C 13 18.00 . . 1 . . . . . . . . 4136 1 961 . 1 1 96 96 ALA N N 15 121.1 . . 1 . . . . . . . . 4136 1 962 . 1 1 97 97 GLY H H 1 8.31 . . 1 . . . . . . . . 4136 1 963 . 1 1 97 97 GLY HA2 H 1 3.90 . . 2 . . . . . . . . 4136 1 964 . 1 1 97 97 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 4136 1 965 . 1 1 97 97 GLY C C 13 175.0 . . 1 . . . . . . . . 4136 1 966 . 1 1 97 97 GLY CA C 13 47.70 . . 1 . . . . . . . . 4136 1 967 . 1 1 97 97 GLY N N 15 105.0 . . 1 . . . . . . . . 4136 1 968 . 1 1 98 98 VAL H H 1 8.34 . . 1 . . . . . . . . 4136 1 969 . 1 1 98 98 VAL HA H 1 3.62 . . 1 . . . . . . . . 4136 1 970 . 1 1 98 98 VAL HB H 1 2.33 . . 1 . . . . . . . . 4136 1 971 . 1 1 98 98 VAL HG11 H 1 1.00 . . 2 . . . . . . . . 4136 1 972 . 1 1 98 98 VAL HG12 H 1 1.00 . . 2 . . . . . . . . 4136 1 973 . 1 1 98 98 VAL HG13 H 1 1.00 . . 2 . . . . . . . . 4136 1 974 . 1 1 98 98 VAL HG21 H 1 1.16 . . 2 . . . . . . . . 4136 1 975 . 1 1 98 98 VAL HG22 H 1 1.16 . . 2 . . . . . . . . 4136 1 976 . 1 1 98 98 VAL HG23 H 1 1.16 . . 2 . . . . . . . . 4136 1 977 . 1 1 98 98 VAL C C 13 178.5 . . 1 . . . . . . . . 4136 1 978 . 1 1 98 98 VAL CA C 13 66.80 . . 1 . . . . . . . . 4136 1 979 . 1 1 98 98 VAL CB C 13 31.30 . . 1 . . . . . . . . 4136 1 980 . 1 1 98 98 VAL CG1 C 13 21.90 . . 2 . . . . . . . . 4136 1 981 . 1 1 98 98 VAL CG2 C 13 21.90 . . 2 . . . . . . . . 4136 1 982 . 1 1 98 98 VAL N N 15 121.0 . . 1 . . . . . . . . 4136 1 983 . 1 1 99 99 LEU H H 1 8.13 . . 1 . . . . . . . . 4136 1 984 . 1 1 99 99 LEU HA H 1 4.10 . . 1 . . . . . . . . 4136 1 985 . 1 1 99 99 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 4136 1 986 . 1 1 99 99 LEU HB3 H 1 1.95 . . 2 . . . . . . . . 4136 1 987 . 1 1 99 99 LEU HG H 1 1.85 . . 1 . . . . . . . . 4136 1 988 . 1 1 99 99 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4136 1 989 . 1 1 99 99 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4136 1 990 . 1 1 99 99 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4136 1 991 . 1 1 99 99 LEU HD21 H 1 0.93 . . 2 . . . . . . . . 4136 1 992 . 1 1 99 99 LEU HD22 H 1 0.93 . . 2 . . . . . . . . 4136 1 993 . 1 1 99 99 LEU HD23 H 1 0.93 . . 2 . . . . . . . . 4136 1 994 . 1 1 99 99 LEU C C 13 178.8 . . 1 . . . . . . . . 4136 1 995 . 1 1 99 99 LEU CA C 13 58.60 . . 1 . . . . . . . . 4136 1 996 . 1 1 99 99 LEU CB C 13 41.10 . . 1 . . . . . . . . 4136 1 997 . 1 1 99 99 LEU CG C 13 32.60 . . 1 . . . . . . . . 4136 1 998 . 1 1 99 99 LEU CD1 C 13 26.80 . . 2 . . . . . . . . 4136 1 999 . 1 1 99 99 LEU CD2 C 13 24.40 . . 2 . . . . . . . . 4136 1 1000 . 1 1 99 99 LEU N N 15 121.2 . . 1 . . . . . . . . 4136 1 1001 . 1 1 100 100 ILE H H 1 8.47 . . 1 . . . . . . . . 4136 1 1002 . 1 1 100 100 ILE HA H 1 3.73 . . 1 . . . . . . . . 4136 1 1003 . 1 1 100 100 ILE HB H 1 2.12 . . 1 . . . . . . . . 4136 1 1004 . 1 1 100 100 ILE HG12 H 1 1.07 . . 2 . . . . . . . . 4136 1 1005 . 1 1 100 100 ILE HG21 H 1 0.99 . . 1 . . . . . . . . 4136 1 1006 . 1 1 100 100 ILE HG22 H 1 0.99 . . 1 . . . . . . . . 4136 1 1007 . 1 1 100 100 ILE HG23 H 1 0.99 . . 1 . . . . . . . . 4136 1 1008 . 1 1 100 100 ILE HD11 H 1 0.92 . . 1 . . . . . . . . 4136 1 1009 . 1 1 100 100 ILE HD12 H 1 0.92 . . 1 . . . . . . . . 4136 1 1010 . 1 1 100 100 ILE HD13 H 1 0.92 . . 1 . . . . . . . . 4136 1 1011 . 1 1 100 100 ILE C C 13 177.8 . . 1 . . . . . . . . 4136 1 1012 . 1 1 100 100 ILE CA C 13 65.30 . . 1 . . . . . . . . 4136 1 1013 . 1 1 100 100 ILE CB C 13 37.30 . . 1 . . . . . . . . 4136 1 1014 . 1 1 100 100 ILE CG1 C 13 29.20 . . 1 . . . . . . . . 4136 1 1015 . 1 1 100 100 ILE CD1 C 13 17.70 . . 1 . . . . . . . . 4136 1 1016 . 1 1 100 100 ILE N N 15 119.4 . . 1 . . . . . . . . 4136 1 1017 . 1 1 101 101 ILE H H 1 8.44 . . 1 . . . . . . . . 4136 1 1018 . 1 1 101 101 ILE HA H 1 3.77 . . 1 . . . . . . . . 4136 1 1019 . 1 1 101 101 ILE HB H 1 2.06 . . 1 . . . . . . . . 4136 1 1020 . 1 1 101 101 ILE HG12 H 1 1.06 . . 2 . . . . . . . . 4136 1 1021 . 1 1 101 101 ILE HG21 H 1 0.91 . . 1 . . . . . . . . 4136 1 1022 . 1 1 101 101 ILE HG22 H 1 0.91 . . 1 . . . . . . . . 4136 1 1023 . 1 1 101 101 ILE HG23 H 1 0.91 . . 1 . . . . . . . . 4136 1 1024 . 1 1 101 101 ILE HD11 H 1 1.01 . . 1 . . . . . . . . 4136 1 1025 . 1 1 101 101 ILE HD12 H 1 1.01 . . 1 . . . . . . . . 4136 1 1026 . 1 1 101 101 ILE HD13 H 1 1.01 . . 1 . . . . . . . . 4136 1 1027 . 1 1 101 101 ILE C C 13 178.8 . . 1 . . . . . . . . 4136 1 1028 . 1 1 101 101 ILE CA C 13 64.80 . . 1 . . . . . . . . 4136 1 1029 . 1 1 101 101 ILE CB C 13 36.80 . . 1 . . . . . . . . 4136 1 1030 . 1 1 101 101 ILE CG1 C 13 29.20 . . 1 . . . . . . . . 4136 1 1031 . 1 1 101 101 ILE CG2 C 13 17.40 . . 1 . . . . . . . . 4136 1 1032 . 1 1 101 101 ILE N N 15 119.4 . . 1 . . . . . . . . 4136 1 1033 . 1 1 102 102 ASN H H 1 8.30 . . 1 . . . . . . . . 4136 1 1034 . 1 1 102 102 ASN HA H 1 4.36 . . 1 . . . . . . . . 4136 1 1035 . 1 1 102 102 ASN HB2 H 1 3.04 . . 2 . . . . . . . . 4136 1 1036 . 1 1 102 102 ASN HB3 H 1 2.74 . . 2 . . . . . . . . 4136 1 1037 . 1 1 102 102 ASN HD21 H 1 6.87 . . 2 . . . . . . . . 4136 1 1038 . 1 1 102 102 ASN HD22 H 1 7.68 . . 2 . . . . . . . . 4136 1 1039 . 1 1 102 102 ASN C C 13 177.3 . . 1 . . . . . . . . 4136 1 1040 . 1 1 102 102 ASN CA C 13 57.76 . . 1 . . . . . . . . 4136 1 1041 . 1 1 102 102 ASN CB C 13 39.50 . . 1 . . . . . . . . 4136 1 1042 . 1 1 102 102 ASN N N 15 120.2 . . 1 . . . . . . . . 4136 1 1043 . 1 1 102 102 ASN ND2 N 15 110.4 . . 1 . . . . . . . . 4136 1 1044 . 1 1 103 103 LEU H H 1 8.50 . . 1 . . . . . . . . 4136 1 1045 . 1 1 103 103 LEU HA H 1 4.09 . . 1 . . . . . . . . 4136 1 1046 . 1 1 103 103 LEU HB2 H 1 1.83 . . 2 . . . . . . . . 4136 1 1047 . 1 1 103 103 LEU HB3 H 1 1.97 . . 2 . . . . . . . . 4136 1 1048 . 1 1 103 103 LEU HG H 1 1.75 . . 1 . . . . . . . . 4136 1 1049 . 1 1 103 103 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4136 1 1050 . 1 1 103 103 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4136 1 1051 . 1 1 103 103 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4136 1 1052 . 1 1 103 103 LEU HD21 H 1 0.93 . . 2 . . . . . . . . 4136 1 1053 . 1 1 103 103 LEU HD22 H 1 0.93 . . 2 . . . . . . . . 4136 1 1054 . 1 1 103 103 LEU HD23 H 1 0.93 . . 2 . . . . . . . . 4136 1 1055 . 1 1 103 103 LEU C C 13 179.8 . . 1 . . . . . . . . 4136 1 1056 . 1 1 103 103 LEU CA C 13 58.10 . . 1 . . . . . . . . 4136 1 1057 . 1 1 103 103 LEU CB C 13 41.40 . . 1 . . . . . . . . 4136 1 1058 . 1 1 103 103 LEU CG C 13 26.60 . . 1 . . . . . . . . 4136 1 1059 . 1 1 103 103 LEU CD1 C 13 24.20 . . 2 . . . . . . . . 4136 1 1060 . 1 1 103 103 LEU N N 15 120.6 . . 1 . . . . . . . . 4136 1 1061 . 1 1 104 104 LEU H H 1 8.79 . . 1 . . . . . . . . 4136 1 1062 . 1 1 104 104 LEU HA H 1 4.11 . . 1 . . . . . . . . 4136 1 1063 . 1 1 104 104 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 4136 1 1064 . 1 1 104 104 LEU HB3 H 1 1.97 . . 2 . . . . . . . . 4136 1 1065 . 1 1 104 104 LEU HG H 1 1.60 . . 1 . . . . . . . . 4136 1 1066 . 1 1 104 104 LEU HD11 H 1 1.01 . . 2 . . . . . . . . 4136 1 1067 . 1 1 104 104 LEU HD12 H 1 1.01 . . 2 . . . . . . . . 4136 1 1068 . 1 1 104 104 LEU HD13 H 1 1.01 . . 2 . . . . . . . . 4136 1 1069 . 1 1 104 104 LEU HD21 H 1 0.93 . . 2 . . . . . . . . 4136 1 1070 . 1 1 104 104 LEU HD22 H 1 0.93 . . 2 . . . . . . . . 4136 1 1071 . 1 1 104 104 LEU HD23 H 1 0.93 . . 2 . . . . . . . . 4136 1 1072 . 1 1 104 104 LEU C C 13 179.7 . . 1 . . . . . . . . 4136 1 1073 . 1 1 104 104 LEU CA C 13 57.70 . . 1 . . . . . . . . 4136 1 1074 . 1 1 104 104 LEU CB C 13 41.70 . . 1 . . . . . . . . 4136 1 1075 . 1 1 104 104 LEU CG C 13 26.60 . . 1 . . . . . . . . 4136 1 1076 . 1 1 104 104 LEU CD1 C 13 25.30 . . 2 . . . . . . . . 4136 1 1077 . 1 1 104 104 LEU CD2 C 13 22.90 . . 2 . . . . . . . . 4136 1 1078 . 1 1 104 104 LEU N N 15 119.5 . . 1 . . . . . . . . 4136 1 1079 . 1 1 105 105 SER H H 1 8.36 . . 1 . . . . . . . . 4136 1 1080 . 1 1 105 105 SER HA H 1 4.27 . . 1 . . . . . . . . 4136 1 1081 . 1 1 105 105 SER HB2 H 1 4.05 . . 2 . . . . . . . . 4136 1 1082 . 1 1 105 105 SER HB3 H 1 4.05 . . 2 . . . . . . . . 4136 1 1083 . 1 1 105 105 SER C C 13 175.4 . . 1 . . . . . . . . 4136 1 1084 . 1 1 105 105 SER CA C 13 61.40 . . 1 . . . . . . . . 4136 1 1085 . 1 1 105 105 SER CB C 13 63.40 . . 1 . . . . . . . . 4136 1 1086 . 1 1 105 105 SER N N 15 114.1 . . 1 . . . . . . . . 4136 1 1087 . 1 1 106 106 ARG H H 1 7.70 . . 1 . . . . . . . . 4136 1 1088 . 1 1 106 106 ARG HA H 1 4.37 . . 1 . . . . . . . . 4136 1 1089 . 1 1 106 106 ARG HB2 H 1 1.91 . . 2 . . . . . . . . 4136 1 1090 . 1 1 106 106 ARG HB3 H 1 2.13 . . 2 . . . . . . . . 4136 1 1091 . 1 1 106 106 ARG HG2 H 1 2.54 . . 2 . . . . . . . . 4136 1 1092 . 1 1 106 106 ARG HG3 H 1 2.54 . . 2 . . . . . . . . 4136 1 1093 . 1 1 106 106 ARG HD2 H 1 3.23 . . 2 . . . . . . . . 4136 1 1094 . 1 1 106 106 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 4136 1 1095 . 1 1 106 106 ARG C C 13 176.2 . . 1 . . . . . . . . 4136 1 1096 . 1 1 106 106 ARG CA C 13 56.70 . . 1 . . . . . . . . 4136 1 1097 . 1 1 106 106 ARG CB C 13 30.10 . . 1 . . . . . . . . 4136 1 1098 . 1 1 106 106 ARG CG C 13 27.80 . . 1 . . . . . . . . 4136 1 1099 . 1 1 106 106 ARG CD C 13 43.20 . . 1 . . . . . . . . 4136 1 1100 . 1 1 106 106 ARG N N 15 118.1 . . 1 . . . . . . . . 4136 1 1101 . 1 1 107 107 SER H H 1 7.73 . . 1 . . . . . . . . 4136 1 1102 . 1 1 107 107 SER HA H 1 4.56 . . 1 . . . . . . . . 4136 1 1103 . 1 1 107 107 SER HB2 H 1 4.06 . . 2 . . . . . . . . 4136 1 1104 . 1 1 107 107 SER HB3 H 1 4.06 . . 2 . . . . . . . . 4136 1 1105 . 1 1 107 107 SER C C 13 173.3 . . 1 . . . . . . . . 4136 1 1106 . 1 1 107 107 SER CA C 13 58.90 . . 1 . . . . . . . . 4136 1 1107 . 1 1 107 107 SER CB C 13 64.30 . . 1 . . . . . . . . 4136 1 1108 . 1 1 107 107 SER N N 15 112.3 . . 1 . . . . . . . . 4136 1 1109 . 1 1 108 108 THR H H 1 7.50 . . 1 . . . . . . . . 4136 1 1110 . 1 1 108 108 THR HA H 1 4.71 . . 1 . . . . . . . . 4136 1 1111 . 1 1 108 108 THR HB H 1 4.24 . . 1 . . . . . . . . 4136 1 1112 . 1 1 108 108 THR HG21 H 1 1.31 . . 1 . . . . . . . . 4136 1 1113 . 1 1 108 108 THR HG22 H 1 1.31 . . 1 . . . . . . . . 4136 1 1114 . 1 1 108 108 THR HG23 H 1 1.31 . . 1 . . . . . . . . 4136 1 1115 . 1 1 108 108 THR CA C 13 59.61 . . 1 . . . . . . . . 4136 1 1116 . 1 1 108 108 THR N N 15 114.6 . . 1 . . . . . . . . 4136 1 1117 . 1 1 109 109 PRO HA H 1 4.42 . . 1 . . . . . . . . 4136 1 1118 . 1 1 109 109 PRO HB2 H 1 2.01 . . 2 . . . . . . . . 4136 1 1119 . 1 1 109 109 PRO HB3 H 1 2.08 . . 2 . . . . . . . . 4136 1 1120 . 1 1 109 109 PRO HG2 H 1 2.25 . . 2 . . . . . . . . 4136 1 1121 . 1 1 109 109 PRO HG3 H 1 2.25 . . 2 . . . . . . . . 4136 1 1122 . 1 1 109 109 PRO HD2 H 1 3.71 . . 2 . . . . . . . . 4136 1 1123 . 1 1 109 109 PRO HD3 H 1 3.86 . . 2 . . . . . . . . 4136 1 1124 . 1 1 109 109 PRO C C 13 174.5 . . 1 . . . . . . . . 4136 1 1125 . 1 1 109 109 PRO CA C 13 63.70 . . 1 . . . . . . . . 4136 1 1126 . 1 1 109 109 PRO CB C 13 31.50 . . 1 . . . . . . . . 4136 1 1127 . 1 1 109 109 PRO CG C 13 27.10 . . 1 . . . . . . . . 4136 1 1128 . 1 1 109 109 PRO CD C 13 50.50 . . 1 . . . . . . . . 4136 1 1129 . 1 1 110 110 HIS H H 1 7.62 . . 1 . . . . . . . . 4136 1 1130 . 1 1 110 110 HIS HA H 1 4.43 . . 1 . . . . . . . . 4136 1 1131 . 1 1 110 110 HIS HB2 H 1 3.28 . . 2 . . . . . . . . 4136 1 1132 . 1 1 110 110 HIS HB3 H 1 3.13 . . 2 . . . . . . . . 4136 1 1133 . 1 1 110 110 HIS HD2 H 1 7.03 . . 2 . . . . . . . . 4136 1 1134 . 1 1 110 110 HIS CA C 13 57.37 . . 1 . . . . . . . . 4136 1 1135 . 1 1 110 110 HIS N N 15 122.3 . . 1 . . . . . . . . 4136 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants _Coupling_constant_list.Entry_ID 4136 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details ; 3JHNHA couplings measured from ratio of cross to diagonal peaks in an HNHA experiment. ; _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_one . 4136 1 . . 2 $sample_two . 4136 1 . . 3 $sample_three . 4136 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 1 1 MET H . . . . 1 1 1 1 MET HA . . . 4.6 . . . . . . . . . . . . . . 4136 1 2 3JHNHA . 1 1 2 2 ASN H . . . . 1 1 2 2 ASN HA . . . 5 . . . . . . . . . . . . . . 4136 1 3 3JHNHA . 1 1 4 4 TYR H . . . . 1 1 4 4 TYR HA . . . 5.8 . . . . . . . . . . . . . . 4136 1 4 3JHNHA . 1 1 5 5 ILE H . . . . 1 1 5 5 ILE HA . . . 5.7 . . . . . . . . . . . . . . 4136 1 5 3JHNHA . 1 1 6 6 TYR H . . . . 1 1 6 6 TYR HA . . . 4.5 . . . . . . . . . . . . . . 4136 1 6 3JHNHA . 1 1 7 7 LEU H . . . . 1 1 7 7 LEU HA . . . 3.7 . . . . . . . . . . . . . . 4136 1 7 3JHNHA . 1 1 10 10 ALA H . . . . 1 1 10 10 ALA HA . . . 4.2 . . . . . . . . . . . . . . 4136 1 8 3JHNHA . 1 1 11 11 ILE H . . . . 1 1 11 11 ILE HA . . . 4.1 . . . . . . . . . . . . . . 4136 1 9 3JHNHA . 1 1 12 12 LEU H . . . . 1 1 12 12 LEU HA . . . 3.2 . . . . . . . . . . . . . . 4136 1 10 3JHNHA . 1 1 13 13 ALA H . . . . 1 1 13 13 ALA HA . . . 2.9 . . . . . . . . . . . . . . 4136 1 11 3JHNHA . 1 1 14 14 GLU H . . . . 1 1 14 14 GLU HA . . . 3.7 . . . . . . . . . . . . . . 4136 1 12 3JHNHA . 1 1 15 15 VAL H . . . . 1 1 15 15 VAL HA . . . 3.9 . . . . . . . . . . . . . . 4136 1 13 3JHNHA . 1 1 16 16 ILE H . . . . 1 1 16 16 ILE HA . . . 4 . . . . . . . . . . . . . . 4136 1 14 3JHNHA . 1 1 18 18 THR H . . . . 1 1 18 18 THR HA . . . 4.4 . . . . . . . . . . . . . . 4136 1 15 3JHNHA . 1 1 21 21 MET H . . . . 1 1 21 21 MET HA . . . 2.8 . . . . . . . . . . . . . . 4136 1 16 3JHNHA . 1 1 23 23 PHE H . . . . 1 1 23 23 PHE HA . . . 4 . . . . . . . . . . . . . . 4136 1 17 3JHNHA . 1 1 24 24 SER H . . . . 1 1 24 24 SER HA . . . 3.5 . . . . . . . . . . . . . . 4136 1 18 3JHNHA . 1 1 25 25 GLU H . . . . 1 1 25 25 GLU HA . . . 3.2 . . . . . . . . . . . . . . 4136 1 19 3JHNHA . 1 1 28 28 THR H . . . . 1 1 28 28 THR HA . . . 4.7 . . . . . . . . . . . . . . 4136 1 20 3JHNHA . 1 1 29 29 ARG H . . . . 1 1 29 29 ARG HA . . . 5.3 . . . . . . . . . . . . . . 4136 1 21 3JHNHA . 1 1 34 34 VAL H . . . . 1 1 34 34 VAL HA . . . 2.3 . . . . . . . . . . . . . . 4136 1 22 3JHNHA . 1 1 39 39 CYS H . . . . 1 1 39 39 CYS HA . . . 1.2 . . . . . . . . . . . . . . 4136 1 23 3JHNHA . 1 1 40 40 TYR H . . . . 1 1 40 40 TYR HA . . . 1.2 . . . . . . . . . . . . . . 4136 1 24 3JHNHA . 1 1 41 41 CYS H . . . . 1 1 41 41 CYS HA . . . 1.5 . . . . . . . . . . . . . . 4136 1 25 3JHNHA . 1 1 42 42 ALA H . . . . 1 1 42 42 ALA HA . . . 3.5 . . . . . . . . . . . . . . 4136 1 26 3JHNHA . 1 1 43 43 SER H . . . . 1 1 43 43 SER HA . . . 3.5 . . . . . . . . . . . . . . 4136 1 27 3JHNHA . 1 1 44 44 PHE H . . . . 1 1 44 44 PHE HA . . . 3.7 . . . . . . . . . . . . . . 4136 1 28 3JHNHA . 1 1 47 47 LEU H . . . . 1 1 47 47 LEU HA . . . 3.9 . . . . . . . . . . . . . . 4136 1 29 3JHNHA . 1 1 49 49 GLN H . . . . 1 1 49 49 GLN HA . . . 3.1 . . . . . . . . . . . . . . 4136 1 30 3JHNHA . 1 1 50 50 THR H . . . . 1 1 50 50 THR HA . . . 1.3 . . . . . . . . . . . . . . 4136 1 31 3JHNHA . 1 1 53 53 TYR H . . . . 1 1 53 53 TYR HA . . . 1.7 . . . . . . . . . . . . . . 4136 1 32 3JHNHA . 1 1 56 56 THR H . . . . 1 1 56 56 THR HA . . . 5.2 . . . . . . . . . . . . . . 4136 1 33 3JHNHA . 1 1 59 59 ALA H . . . . 1 1 59 59 ALA HA . . . 3.5 . . . . . . . . . . . . . . 4136 1 34 3JHNHA . 1 1 60 60 TYR H . . . . 1 1 60 60 TYR HA . . . 4.8 . . . . . . . . . . . . . . 4136 1 35 3JHNHA . 1 1 61 61 ALA H . . . . 1 1 61 61 ALA HA . . . 3.5 . . . . . . . . . . . . . . 4136 1 36 3JHNHA . 1 1 62 62 ILE H . . . . 1 1 62 62 ILE HA . . . 2.8 . . . . . . . . . . . . . . 4136 1 37 3JHNHA . 1 1 63 63 TRP H . . . . 1 1 63 63 TRP HA . . . 3.8 . . . . . . . . . . . . . . 4136 1 38 3JHNHA . 1 1 64 64 SER H . . . . 1 1 64 64 SER HA . . . 3.3 . . . . . . . . . . . . . . 4136 1 39 3JHNHA . 1 1 68 68 ILE H . . . . 1 1 68 68 ILE HA . . . 4.4 . . . . . . . . . . . . . . 4136 1 40 3JHNHA . 1 1 70 70 LEU H . . . . 1 1 70 70 LEU HA . . . 4.1 . . . . . . . . . . . . . . 4136 1 41 3JHNHA . 1 1 72 72 SER H . . . . 1 1 72 72 SER HA . . . 2.3 . . . . . . . . . . . . . . 4136 1 42 3JHNHA . 1 1 73 73 LEU H . . . . 1 1 73 73 LEU HA . . . 3.9 . . . . . . . . . . . . . . 4136 1 43 3JHNHA . 1 1 74 74 LEU H . . . . 1 1 74 74 LEU HA . . . 3.5 . . . . . . . . . . . . . . 4136 1 44 3JHNHA . 1 1 75 75 SER H . . . . 1 1 75 75 SER HA . . . 3.3 . . . . . . . . . . . . . . 4136 1 45 3JHNHA . 1 1 76 76 TRP H . . . . 1 1 76 76 TRP HA . . . 3.2 . . . . . . . . . . . . . . 4136 1 46 3JHNHA . 1 1 78 78 PHE H . . . . 1 1 78 78 PHE HA . . . 6 . . . . . . . . . . . . . . 4136 1 47 3JHNHA . 1 1 79 79 PHE H . . . . 1 1 79 79 PHE HA . . . 5.9 . . . . . . . . . . . . . . 4136 1 48 3JHNHA . 1 1 81 81 GLN H . . . . 1 1 81 81 GLN HA . . . 6.1 . . . . . . . . . . . . . . 4136 1 49 3JHNHA . 1 1 82 82 ARG H . . . . 1 1 82 82 ARG HA . . . 5.6 . . . . . . . . . . . . . . 4136 1 50 3JHNHA . 1 1 83 83 LEU H . . . . 1 1 83 83 LEU HA . . . 5.2 . . . . . . . . . . . . . . 4136 1 51 3JHNHA . 1 1 84 84 ASP H . . . . 1 1 84 84 ASP HA . . . 5.7 . . . . . . . . . . . . . . 4136 1 52 3JHNHA . 1 1 85 85 LEU H . . . . 1 1 85 85 LEU HA . . . 3 . . . . . . . . . . . . . . 4136 1 53 3JHNHA . 1 1 87 87 ALA H . . . . 1 1 87 87 ALA HA . . . 4.4 . . . . . . . . . . . . . . 4136 1 54 3JHNHA . 1 1 88 88 ILE H . . . . 1 1 88 88 ILE HA . . . 4.4 . . . . . . . . . . . . . . 4136 1 55 3JHNHA . 1 1 89 89 ILE H . . . . 1 1 89 89 ILE HA . . . 3.7 . . . . . . . . . . . . . . 4136 1 56 3JHNHA . 1 1 91 91 MET H . . . . 1 1 91 91 MET HA . . . 3.6 . . . . . . . . . . . . . . 4136 1 57 3JHNHA . 1 1 92 92 MET H . . . . 1 1 92 92 MET HA . . . 2.8 . . . . . . . . . . . . . . 4136 1 58 3JHNHA . 1 1 93 93 LEU H . . . . 1 1 93 93 LEU HA . . . 3.4 . . . . . . . . . . . . . . 4136 1 59 3JHNHA . 1 1 94 94 ILE H . . . . 1 1 94 94 ILE HA . . . 3 . . . . . . . . . . . . . . 4136 1 60 3JHNHA . 1 1 95 95 CYS H . . . . 1 1 95 95 CYS HA . . . 4 . . . . . . . . . . . . . . 4136 1 61 3JHNHA . 1 1 96 96 ALA H . . . . 1 1 96 96 ALA HA . . . 3.5 . . . . . . . . . . . . . . 4136 1 62 3JHNHA . 1 1 98 98 VAL H . . . . 1 1 98 98 VAL HA . . . 3.8 . . . . . . . . . . . . . . 4136 1 63 3JHNHA . 1 1 99 99 LEU H . . . . 1 1 99 99 LEU HA . . . 3.9 . . . . . . . . . . . . . . 4136 1 64 3JHNHA . 1 1 100 100 ILE H . . . . 1 1 100 100 ILE HA . . . 3.2 . . . . . . . . . . . . . . 4136 1 65 3JHNHA . 1 1 101 101 ILE H . . . . 1 1 101 101 ILE HA . . . 3.2 . . . . . . . . . . . . . . 4136 1 66 3JHNHA . 1 1 102 102 ASN H . . . . 1 1 102 102 ASN HA . . . 4 . . . . . . . . . . . . . . 4136 1 67 3JHNHA . 1 1 103 103 LEU H . . . . 1 1 103 103 LEU HA . . . 4 . . . . . . . . . . . . . . 4136 1 68 3JHNHA . 1 1 104 104 LEU H . . . . 1 1 104 104 LEU HA . . . 4 . . . . . . . . . . . . . . 4136 1 69 3JHNHA . 1 1 105 105 SER H . . . . 1 1 105 105 SER HA . . . 3.9 . . . . . . . . . . . . . . 4136 1 70 3JHNHA . 1 1 106 106 ARG H . . . . 1 1 106 106 ARG HA . . . 5.6 . . . . . . . . . . . . . . 4136 1 71 3JHNHA . 1 1 107 107 SER H . . . . 1 1 107 107 SER HA . . . 6.9 . . . . . . . . . . . . . . 4136 1 72 3JHNHA . 1 1 108 108 THR H . . . . 1 1 108 108 THR HA . . . 7.2 . . . . . . . . . . . . . . 4136 1 73 3JHNHA . 1 1 110 110 HIS H . . . . 1 1 110 110 HIS HA . . . 6.3 . . . . . . . . . . . . . . 4136 1 stop_ save_