data_5354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5354 _Entry.Title ; Structure and Interactions of PAS kinase N-terminal PAS domain: Model for intramolecular kinase regulation ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-04-26 _Entry.Accession_date 2002-04-29 _Entry.Last_release_date 2003-01-27 _Entry.Original_release_date 2003-01-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Carlos Amezcua . A. . 5354 2 Shannon Harper . M. . 5354 3 Jared Rutter . . . 5354 4 Kevin Gardner . H. . 5354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 120 5354 '1H chemical shifts' 808 5354 '13C chemical shifts' 502 5354 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-01-27 2002-04-26 original author . 5354 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5354 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22266135 _Citation.DOI . _Citation.PubMed_ID 12377121 _Citation.Full_citation . _Citation.Title ; Structure and Interactions of PAS kinase N-terminal PAS domain: Model for Intramolecular Kinase Regulation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 10 _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 1349 _Citation.Page_last 1361 _Citation.Year 2002 _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 Carlos Amezcua . A. . 5354 1 2 Shannon Harper . M. . 5354 1 3 Jared Rutter . . . 5354 1 4 Kevin Gardner . H. . 5354 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PAS domains' 5354 1 'Serine/Threonine Kinase' 5354 1 'Ligand Binding' 5354 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 5354 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Johnson, B. A., and Blevins, R.A.(1994), Journal of Biomolecular NMR, 4:603-614. ; _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_ save_ref-2 _Citation.Sf_category citations _Citation.Sf_framecode ref-2 _Citation.Entry_ID 5354 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax (1995) NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR. 6, 277-293. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Delaglio F. . . 5354 3 2 S. Grzesiek S. . . 5354 3 3 'G. W.' Vuister G. W. . 5354 3 4 G. Zhu G. . . 5354 3 5 J. Pfeifer J. . . 5354 3 6 A. Bax A. . . 5354 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PAS_Kinase_PAS-A _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PAS_Kinase_PAS-A _Assembly.Entry_ID 5354 _Assembly.ID 1 _Assembly.Name 'Human PAS Kinase PAS-A domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5354 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 'PAS Kinase PAS-A' 1 $hPASK_PAS-A . . . native . . . . . 5354 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1LL8 . . . . . . 5354 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Human PAS Kinase PAS-A domain' system 5354 1 'PAS Kinase PAS-A' abbreviation 5354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hPASK_PAS-A _Entity.Sf_category entity _Entity.Sf_framecode hPASK_PAS-A _Entity.Entry_ID 5354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PAS Kinase PAS-A domain' _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 ; GAMDPEFNKAIFTVDAKTTE ILVANDKACGLLGYSSQDLI GQKLTQFFLRSDSDVVEALS EEHMEADGHAAVVFGTVVDI ISRSGEKIPVSVWMKRMRQE RRLCCVVVLEPVER ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12644.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Residues GAMDPEF are vector derived' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1LL8 . "Structure And Interactions Of Pas Kinase N-Terminal Pas Domain: Model For Intramolecular Kinase Regulation" . . . . . 100.00 114 100.00 100.00 4.73e-77 . . . . 5354 1 2 no DBJ BAA09484 . "KIAA0135 [Homo sapiens]" . . . . . 93.86 1351 99.07 100.00 9.04e-63 . . . . 5354 1 3 no DBJ BAG09616 . "PAS domain-containing serine/threonine-protein kinase [synthetic construct]" . . . . . 93.86 1330 99.07 100.00 9.53e-63 . . . . 5354 1 4 no DBJ BAH13702 . "unnamed protein product [Homo sapiens]" . . . . . 93.86 1288 100.00 100.00 3.27e-63 . . . . 5354 1 5 no EMBL CAH18087 . "hypothetical protein [Homo sapiens]" . . . . . 93.86 1323 100.00 100.00 3.39e-63 . . . . 5354 1 6 no GB AAH50565 . "PASK protein [Homo sapiens]" . . . . . 93.86 1143 100.00 100.00 1.99e-63 . . . . 5354 1 7 no GB AAH63585 . "PAS domain containing serine/threonine kinase [Homo sapiens]" . . . . . 93.86 1323 100.00 100.00 3.39e-63 . . . . 5354 1 8 no GB AAK69752 . "PAS-kinase [Homo sapiens]" . . . . . 93.86 1323 100.00 100.00 3.66e-63 . . . . 5354 1 9 no GB EAW71236 . "PAS domain containing serine/threonine kinase, isoform CRA_a [Homo sapiens]" . . . . . 93.86 1330 100.00 100.00 3.41e-63 . . . . 5354 1 10 no GB EAW71237 . "PAS domain containing serine/threonine kinase, isoform CRA_b, partial [Homo sapiens]" . . . . . 93.86 1135 100.00 100.00 1.74e-63 . . . . 5354 1 11 no REF NP_001239048 . "PAS domain-containing serine/threonine-protein kinase isoform 1 [Homo sapiens]" . . . . . 93.86 1330 100.00 100.00 3.41e-63 . . . . 5354 1 12 no REF NP_001239049 . "PAS domain-containing serine/threonine-protein kinase isoform 2 [Homo sapiens]" . . . . . 93.86 1323 100.00 100.00 3.39e-63 . . . . 5354 1 13 no REF NP_001239051 . "PAS domain-containing serine/threonine-protein kinase isoform 3 [Homo sapiens]" . . . . . 93.86 1288 100.00 100.00 2.77e-63 . . . . 5354 1 14 no REF NP_001239053 . "PAS domain-containing serine/threonine-protein kinase isoform 4 [Homo sapiens]" . . . . . 93.86 1143 100.00 100.00 1.99e-63 . . . . 5354 1 15 no REF NP_055963 . "PAS domain-containing serine/threonine-protein kinase isoform 2 [Homo sapiens]" . . . . . 93.86 1323 100.00 100.00 3.39e-63 . . . . 5354 1 16 no SP Q96RG2 . "RecName: Full=PAS domain-containing serine/threonine-protein kinase; Short=PAS-kinase; Short=PASKIN; Short=hPASK [Homo sapiens]" . . . . . 93.86 1323 100.00 100.00 3.39e-63 . . . . 5354 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PAS Kinase PAS-A domain' common 5354 1 hPASK_PAS-A abbreviation 5354 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 . GLY . 5354 1 2 . ALA . 5354 1 3 . MET . 5354 1 4 . ASP . 5354 1 5 . PRO . 5354 1 6 . GLU . 5354 1 7 . PHE . 5354 1 8 . ASN . 5354 1 9 . LYS . 5354 1 10 . ALA . 5354 1 11 . ILE . 5354 1 12 . PHE . 5354 1 13 . THR . 5354 1 14 . VAL . 5354 1 15 . ASP . 5354 1 16 . ALA . 5354 1 17 . LYS . 5354 1 18 . THR . 5354 1 19 . THR . 5354 1 20 . GLU . 5354 1 21 . ILE . 5354 1 22 . LEU . 5354 1 23 . VAL . 5354 1 24 . ALA . 5354 1 25 . ASN . 5354 1 26 . ASP . 5354 1 27 . LYS . 5354 1 28 . ALA . 5354 1 29 . CYS . 5354 1 30 . GLY . 5354 1 31 . LEU . 5354 1 32 . LEU . 5354 1 33 . GLY . 5354 1 34 . TYR . 5354 1 35 . SER . 5354 1 36 . SER . 5354 1 37 . GLN . 5354 1 38 . ASP . 5354 1 39 . LEU . 5354 1 40 . ILE . 5354 1 41 . GLY . 5354 1 42 . GLN . 5354 1 43 . LYS . 5354 1 44 . LEU . 5354 1 45 . THR . 5354 1 46 . GLN . 5354 1 47 . PHE . 5354 1 48 . PHE . 5354 1 49 . LEU . 5354 1 50 . ARG . 5354 1 51 . SER . 5354 1 52 . ASP . 5354 1 53 . SER . 5354 1 54 . ASP . 5354 1 55 . VAL . 5354 1 56 . VAL . 5354 1 57 . GLU . 5354 1 58 . ALA . 5354 1 59 . LEU . 5354 1 60 . SER . 5354 1 61 . GLU . 5354 1 62 . GLU . 5354 1 63 . HIS . 5354 1 64 . MET . 5354 1 65 . GLU . 5354 1 66 . ALA . 5354 1 67 . ASP . 5354 1 68 . GLY . 5354 1 69 . HIS . 5354 1 70 . ALA . 5354 1 71 . ALA . 5354 1 72 . VAL . 5354 1 73 . VAL . 5354 1 74 . PHE . 5354 1 75 . GLY . 5354 1 76 . THR . 5354 1 77 . VAL . 5354 1 78 . VAL . 5354 1 79 . ASP . 5354 1 80 . ILE . 5354 1 81 . ILE . 5354 1 82 . SER . 5354 1 83 . ARG . 5354 1 84 . SER . 5354 1 85 . GLY . 5354 1 86 . GLU . 5354 1 87 . LYS . 5354 1 88 . ILE . 5354 1 89 . PRO . 5354 1 90 . VAL . 5354 1 91 . SER . 5354 1 92 . VAL . 5354 1 93 . TRP . 5354 1 94 . MET . 5354 1 95 . LYS . 5354 1 96 . ARG . 5354 1 97 . MET . 5354 1 98 . ARG . 5354 1 99 . GLN . 5354 1 100 . GLU . 5354 1 101 . ARG . 5354 1 102 . ARG . 5354 1 103 . LEU . 5354 1 104 . CYS . 5354 1 105 . CYS . 5354 1 106 . VAL . 5354 1 107 . VAL . 5354 1 108 . VAL . 5354 1 109 . LEU . 5354 1 110 . GLU . 5354 1 111 . PRO . 5354 1 112 . VAL . 5354 1 113 . GLU . 5354 1 114 . ARG . 5354 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 . GLY 1 1 5354 1 . ALA 2 2 5354 1 . MET 3 3 5354 1 . ASP 4 4 5354 1 . PRO 5 5 5354 1 . GLU 6 6 5354 1 . PHE 7 7 5354 1 . ASN 8 8 5354 1 . LYS 9 9 5354 1 . ALA 10 10 5354 1 . ILE 11 11 5354 1 . PHE 12 12 5354 1 . THR 13 13 5354 1 . VAL 14 14 5354 1 . ASP 15 15 5354 1 . ALA 16 16 5354 1 . LYS 17 17 5354 1 . THR 18 18 5354 1 . THR 19 19 5354 1 . GLU 20 20 5354 1 . ILE 21 21 5354 1 . LEU 22 22 5354 1 . VAL 23 23 5354 1 . ALA 24 24 5354 1 . ASN 25 25 5354 1 . ASP 26 26 5354 1 . LYS 27 27 5354 1 . ALA 28 28 5354 1 . CYS 29 29 5354 1 . GLY 30 30 5354 1 . LEU 31 31 5354 1 . LEU 32 32 5354 1 . GLY 33 33 5354 1 . TYR 34 34 5354 1 . SER 35 35 5354 1 . SER 36 36 5354 1 . GLN 37 37 5354 1 . ASP 38 38 5354 1 . LEU 39 39 5354 1 . ILE 40 40 5354 1 . GLY 41 41 5354 1 . GLN 42 42 5354 1 . LYS 43 43 5354 1 . LEU 44 44 5354 1 . THR 45 45 5354 1 . GLN 46 46 5354 1 . PHE 47 47 5354 1 . PHE 48 48 5354 1 . LEU 49 49 5354 1 . ARG 50 50 5354 1 . SER 51 51 5354 1 . ASP 52 52 5354 1 . SER 53 53 5354 1 . ASP 54 54 5354 1 . VAL 55 55 5354 1 . VAL 56 56 5354 1 . GLU 57 57 5354 1 . ALA 58 58 5354 1 . LEU 59 59 5354 1 . SER 60 60 5354 1 . GLU 61 61 5354 1 . GLU 62 62 5354 1 . HIS 63 63 5354 1 . MET 64 64 5354 1 . GLU 65 65 5354 1 . ALA 66 66 5354 1 . ASP 67 67 5354 1 . GLY 68 68 5354 1 . HIS 69 69 5354 1 . ALA 70 70 5354 1 . ALA 71 71 5354 1 . VAL 72 72 5354 1 . VAL 73 73 5354 1 . PHE 74 74 5354 1 . GLY 75 75 5354 1 . THR 76 76 5354 1 . VAL 77 77 5354 1 . VAL 78 78 5354 1 . ASP 79 79 5354 1 . ILE 80 80 5354 1 . ILE 81 81 5354 1 . SER 82 82 5354 1 . ARG 83 83 5354 1 . SER 84 84 5354 1 . GLY 85 85 5354 1 . GLU 86 86 5354 1 . LYS 87 87 5354 1 . ILE 88 88 5354 1 . PRO 89 89 5354 1 . VAL 90 90 5354 1 . SER 91 91 5354 1 . VAL 92 92 5354 1 . TRP 93 93 5354 1 . MET 94 94 5354 1 . LYS 95 95 5354 1 . ARG 96 96 5354 1 . MET 97 97 5354 1 . ARG 98 98 5354 1 . GLN 99 99 5354 1 . GLU 100 100 5354 1 . ARG 101 101 5354 1 . ARG 102 102 5354 1 . LEU 103 103 5354 1 . CYS 104 104 5354 1 . CYS 105 105 5354 1 . VAL 106 106 5354 1 . VAL 107 107 5354 1 . VAL 108 108 5354 1 . LEU 109 109 5354 1 . GLU 110 110 5354 1 . PRO 111 111 5354 1 . VAL 112 112 5354 1 . GLU 113 113 5354 1 . ARG 114 114 5354 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 5354 _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 $hPASK_PAS-A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5354 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 5354 _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 $hPASK_PAS-A . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli DE3 . . . . . . . . . . . . . . . . . . . . . . 5354 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5354 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PAS Kinase PAS-A domain' '[U-15N; U-13C]' . . 1 $hPASK_PAS-A . . . 0.8 1.2 mM . . . . 5354 1 stop_ save_ ####################### # Sample conditions # ####################### save_experimental_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode experimental_conditions _Sample_condition_list.Entry_ID 5354 _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 6.5 0.1 n/a 5354 1 temperature 298 1 K 5354 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 5354 _Software.ID 1 _Software.Name NMRVIEW _Software.Version 5.04 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data Analysis' 5354 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 5354 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5354 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data Processing' 5354 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref-2 5354 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5354 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5354 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5354 _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 spectrometer_1 Varian INOVA . 600 . . . 5354 1 2 spectrometer_2 Varian INOVA . 500 . . . 5354 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 5354 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 2 '1H-13C HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 4 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 5 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 6 'C(CO)NNH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 7 'H(CCO)NNH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 8 'HCCH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 9 '1H-1H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 10 'DQF COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 11 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 12 '1H-1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 13 '15N-Edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 14 '13C,15N-Edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 15 '1H-15N IPAP' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions . . . . . . . . . . . . . . . . . . . . . 5354 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5354 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5354 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5354 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5354 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5354 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5354 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA N N 15 124.326 0.2 . 1 . . . . . . . . 5354 1 2 . 1 1 2 2 ALA H H 1 8.334 0.05 . 1 . . . . . . . . 5354 1 3 . 1 1 2 2 ALA CA C 13 53.217 0.3 . 1 . . . . . . . . 5354 1 4 . 1 1 2 2 ALA HA H 1 4.152 0.05 . 1 . . . . . . . . 5354 1 5 . 1 1 2 2 ALA CB C 13 19.176 0.3 . 1 . . . . . . . . 5354 1 6 . 1 1 2 2 ALA HB1 H 1 1.336 0.05 . 1 . . . . . . . . 5354 1 7 . 1 1 2 2 ALA HB2 H 1 1.336 0.05 . 1 . . . . . . . . 5354 1 8 . 1 1 2 2 ALA HB3 H 1 1.336 0.05 . 1 . . . . . . . . 5354 1 9 . 1 1 2 2 ALA C C 13 177.802 0.3 . 1 . . . . . . . . 5354 1 10 . 1 1 3 3 MET N N 15 117.927 0.2 . 1 . . . . . . . . 5354 1 11 . 1 1 3 3 MET H H 1 8.415 0.05 . 1 . . . . . . . . 5354 1 12 . 1 1 3 3 MET CA C 13 55.178 0.3 . 1 . . . . . . . . 5354 1 13 . 1 1 3 3 MET HA H 1 4.459 0.05 . 1 . . . . . . . . 5354 1 14 . 1 1 3 3 MET CB C 13 32.644 0.3 . 1 . . . . . . . . 5354 1 15 . 1 1 3 3 MET HB3 H 1 1.974 0.05 . 2 . . . . . . . . 5354 1 16 . 1 1 3 3 MET HB2 H 1 2.068 0.05 . 2 . . . . . . . . 5354 1 17 . 1 1 3 3 MET CG C 13 32.120 0.3 . 1 . . . . . . . . 5354 1 18 . 1 1 3 3 MET HG3 H 1 2.412 0.05 . 2 . . . . . . . . 5354 1 19 . 1 1 3 3 MET HG2 H 1 2.516 0.05 . 2 . . . . . . . . 5354 1 20 . 1 1 3 3 MET CE C 13 16.924 0.3 . 1 . . . . . . . . 5354 1 21 . 1 1 3 3 MET HE1 H 1 2.016 0.05 . 1 . . . . . . . . 5354 1 22 . 1 1 3 3 MET HE2 H 1 2.016 0.05 . 1 . . . . . . . . 5354 1 23 . 1 1 3 3 MET HE3 H 1 2.016 0.05 . 1 . . . . . . . . 5354 1 24 . 1 1 3 3 MET C C 13 175.739 0.3 . 1 . . . . . . . . 5354 1 25 . 1 1 4 4 ASP N N 15 123.009 0.2 . 1 . . . . . . . . 5354 1 26 . 1 1 4 4 ASP H H 1 8.098 0.05 . 1 . . . . . . . . 5354 1 27 . 1 1 4 4 ASP CA C 13 52.524 0.3 . 1 . . . . . . . . 5354 1 28 . 1 1 4 4 ASP HA H 1 4.822 0.05 . 1 . . . . . . . . 5354 1 29 . 1 1 4 4 ASP CB C 13 40.978 0.3 . 1 . . . . . . . . 5354 1 30 . 1 1 4 4 ASP HB3 H 1 2.599 0.05 . 2 . . . . . . . . 5354 1 31 . 1 1 4 4 ASP HB2 H 1 2.711 0.05 . 2 . . . . . . . . 5354 1 32 . 1 1 5 5 PRO CA C 13 64.231 0.3 . 1 . . . . . . . . 5354 1 33 . 1 1 5 5 PRO HA H 1 4.354 0.05 . 1 . . . . . . . . 5354 1 34 . 1 1 5 5 PRO CB C 13 32.050 0.3 . 1 . . . . . . . . 5354 1 35 . 1 1 5 5 PRO HB3 H 1 1.823 0.05 . 1 . . . . . . . . 5354 1 36 . 1 1 5 5 PRO HB2 H 1 2.174 0.05 . 1 . . . . . . . . 5354 1 37 . 1 1 5 5 PRO CG C 13 27.301 0.3 . 1 . . . . . . . . 5354 1 38 . 1 1 5 5 PRO HG3 H 1 2.006 0.05 . 1 . . . . . . . . 5354 1 39 . 1 1 5 5 PRO HG2 H 1 2.006 0.05 . 1 . . . . . . . . 5354 1 40 . 1 1 5 5 PRO CD C 13 51.032 0.3 . 1 . . . . . . . . 5354 1 41 . 1 1 5 5 PRO HD3 H 1 3.804 0.05 . 2 . . . . . . . . 5354 1 42 . 1 1 5 5 PRO HD2 H 1 3.872 0.05 . 2 . . . . . . . . 5354 1 43 . 1 1 5 5 PRO C C 13 177.366 0.3 . 1 . . . . . . . . 5354 1 44 . 1 1 6 6 GLU N N 15 118.544 0.2 . 1 . . . . . . . . 5354 1 45 . 1 1 6 6 GLU H H 1 8.521 0.05 . 1 . . . . . . . . 5354 1 46 . 1 1 6 6 GLU CA C 13 57.189 0.3 . 1 . . . . . . . . 5354 1 47 . 1 1 6 6 GLU HA H 1 4.125 0.05 . 1 . . . . . . . . 5354 1 48 . 1 1 6 6 GLU CB C 13 30.140 0.3 . 1 . . . . . . . . 5354 1 49 . 1 1 6 6 GLU HB3 H 1 1.892 0.05 . 1 . . . . . . . . 5354 1 50 . 1 1 6 6 GLU HB2 H 1 1.892 0.05 . 1 . . . . . . . . 5354 1 51 . 1 1 6 6 GLU CG C 13 36.471 0.3 . 1 . . . . . . . . 5354 1 52 . 1 1 6 6 GLU HG3 H 1 1.947 0.05 . 2 . . . . . . . . 5354 1 53 . 1 1 6 6 GLU HG2 H 1 2.135 0.05 . 2 . . . . . . . . 5354 1 54 . 1 1 6 6 GLU C C 13 176.624 0.3 . 1 . . . . . . . . 5354 1 55 . 1 1 7 7 PHE N N 15 119.100 0.2 . 1 . . . . . . . . 5354 1 56 . 1 1 7 7 PHE H H 1 7.809 0.05 . 1 . . . . . . . . 5354 1 57 . 1 1 7 7 PHE CA C 13 58.800 0.3 . 1 . . . . . . . . 5354 1 58 . 1 1 7 7 PHE HA H 1 4.470 0.05 . 1 . . . . . . . . 5354 1 59 . 1 1 7 7 PHE CB C 13 39.332 0.3 . 1 . . . . . . . . 5354 1 60 . 1 1 7 7 PHE HB3 H 1 3.162 0.05 . 1 . . . . . . . . 5354 1 61 . 1 1 7 7 PHE HB2 H 1 3.162 0.05 . 1 . . . . . . . . 5354 1 62 . 1 1 7 7 PHE CD1 C 13 130.023 0.3 . 1 . . . . . . . . 5354 1 63 . 1 1 7 7 PHE HD1 H 1 7.292 0.05 . 1 . . . . . . . . 5354 1 64 . 1 1 7 7 PHE CE1 C 13 131.638 0.3 . 1 . . . . . . . . 5354 1 65 . 1 1 7 7 PHE HE1 H 1 7.375 0.05 . 1 . . . . . . . . 5354 1 66 . 1 1 7 7 PHE CE2 C 13 131.638 0.3 . 1 . . . . . . . . 5354 1 67 . 1 1 7 7 PHE HE2 H 1 7.375 0.05 . 1 . . . . . . . . 5354 1 68 . 1 1 7 7 PHE CD2 C 13 130.023 0.3 . 1 . . . . . . . . 5354 1 69 . 1 1 7 7 PHE HD2 H 1 7.292 0.05 . 1 . . . . . . . . 5354 1 70 . 1 1 7 7 PHE C C 13 175.842 0.3 . 1 . . . . . . . . 5354 1 71 . 1 1 8 8 ASN N N 15 119.238 0.2 . 1 . . . . . . . . 5354 1 72 . 1 1 8 8 ASN H H 1 8.176 0.05 . 1 . . . . . . . . 5354 1 73 . 1 1 8 8 ASN CA C 13 53.092 0.3 . 1 . . . . . . . . 5354 1 74 . 1 1 8 8 ASN HA H 1 4.614 0.05 . 1 . . . . . . . . 5354 1 75 . 1 1 8 8 ASN CB C 13 38.769 0.3 . 1 . . . . . . . . 5354 1 76 . 1 1 8 8 ASN HB3 H 1 2.496 0.05 . 2 . . . . . . . . 5354 1 77 . 1 1 8 8 ASN HB2 H 1 2.837 0.05 . 2 . . . . . . . . 5354 1 78 . 1 1 8 8 ASN CG C 13 177.240 0.3 . 1 . . . . . . . . 5354 1 79 . 1 1 8 8 ASN ND2 N 15 112.168 0.2 . 1 . . . . . . . . 5354 1 80 . 1 1 8 8 ASN HD21 H 1 7.592 0.05 . 1 . . . . . . . . 5354 1 81 . 1 1 8 8 ASN HD22 H 1 6.894 0.05 . 1 . . . . . . . . 5354 1 82 . 1 1 8 8 ASN C C 13 174.255 0.3 . 1 . . . . . . . . 5354 1 83 . 1 1 9 9 LYS N N 15 117.136 0.2 . 1 . . . . . . . . 5354 1 84 . 1 1 9 9 LYS H H 1 7.356 0.05 . 1 . . . . . . . . 5354 1 85 . 1 1 9 9 LYS CA C 13 55.011 0.3 . 1 . . . . . . . . 5354 1 86 . 1 1 9 9 LYS HA H 1 4.560 0.05 . 1 . . . . . . . . 5354 1 87 . 1 1 9 9 LYS CB C 13 34.802 0.3 . 1 . . . . . . . . 5354 1 88 . 1 1 9 9 LYS HB3 H 1 1.576 0.05 . 2 . . . . . . . . 5354 1 89 . 1 1 9 9 LYS HB2 H 1 1.644 0.05 . 2 . . . . . . . . 5354 1 90 . 1 1 9 9 LYS CG C 13 25.245 0.3 . 1 . . . . . . . . 5354 1 91 . 1 1 9 9 LYS HG3 H 1 1.228 0.05 . 2 . . . . . . . . 5354 1 92 . 1 1 9 9 LYS HG2 H 1 1.334 0.05 . 2 . . . . . . . . 5354 1 93 . 1 1 9 9 LYS CD C 13 29.286 0.3 . 1 . . . . . . . . 5354 1 94 . 1 1 9 9 LYS HD3 H 1 1.457 0.05 . 2 . . . . . . . . 5354 1 95 . 1 1 9 9 LYS HD2 H 1 1.509 0.05 . 2 . . . . . . . . 5354 1 96 . 1 1 9 9 LYS CE C 13 42.473 0.3 . 1 . . . . . . . . 5354 1 97 . 1 1 9 9 LYS HE3 H 1 2.851 0.05 . 1 . . . . . . . . 5354 1 98 . 1 1 9 9 LYS HE2 H 1 2.851 0.05 . 1 . . . . . . . . 5354 1 99 . 1 1 9 9 LYS C C 13 174.951 0.3 . 1 . . . . . . . . 5354 1 100 . 1 1 10 10 ALA N N 15 125.932 0.2 . 1 . . . . . . . . 5354 1 101 . 1 1 10 10 ALA H H 1 8.613 0.05 . 1 . . . . . . . . 5354 1 102 . 1 1 10 10 ALA CA C 13 51.900 0.3 . 1 . . . . . . . . 5354 1 103 . 1 1 10 10 ALA HA H 1 4.371 0.05 . 1 . . . . . . . . 5354 1 104 . 1 1 10 10 ALA CB C 13 19.219 0.3 . 1 . . . . . . . . 5354 1 105 . 1 1 10 10 ALA HB1 H 1 1.285 0.05 . 1 . . . . . . . . 5354 1 106 . 1 1 10 10 ALA HB2 H 1 1.285 0.05 . 1 . . . . . . . . 5354 1 107 . 1 1 10 10 ALA HB3 H 1 1.285 0.05 . 1 . . . . . . . . 5354 1 108 . 1 1 10 10 ALA C C 13 174.531 0.3 . 1 . . . . . . . . 5354 1 109 . 1 1 11 11 ILE N N 15 122.013 0.2 . 1 . . . . . . . . 5354 1 110 . 1 1 11 11 ILE H H 1 7.636 0.05 . 1 . . . . . . . . 5354 1 111 . 1 1 11 11 ILE CA C 13 61.001 0.3 . 1 . . . . . . . . 5354 1 112 . 1 1 11 11 ILE HA H 1 5.046 0.05 . 1 . . . . . . . . 5354 1 113 . 1 1 11 11 ILE CB C 13 41.109 0.3 . 1 . . . . . . . . 5354 1 114 . 1 1 11 11 ILE HB H 1 1.372 0.05 . 1 . . . . . . . . 5354 1 115 . 1 1 11 11 ILE CG1 C 13 27.224 0.3 . 1 . . . . . . . . 5354 1 116 . 1 1 11 11 ILE HG13 H 1 1.442 0.05 . 4 . . . . . . . . 5354 1 117 . 1 1 11 11 ILE HG12 H 1 1.442 0.05 . 1 . . . . . . . . 5354 1 118 . 1 1 11 11 ILE CD1 C 13 13.646 0.3 . 1 . . . . . . . . 5354 1 119 . 1 1 11 11 ILE HD11 H 1 0.782 0.05 . 1 . . . . . . . . 5354 1 120 . 1 1 11 11 ILE HD12 H 1 0.782 0.05 . 1 . . . . . . . . 5354 1 121 . 1 1 11 11 ILE HD13 H 1 0.782 0.05 . 1 . . . . . . . . 5354 1 122 . 1 1 11 11 ILE CG2 C 13 17.594 0.3 . 1 . . . . . . . . 5354 1 123 . 1 1 11 11 ILE HG21 H 1 0.780 0.05 . 1 . . . . . . . . 5354 1 124 . 1 1 11 11 ILE HG22 H 1 0.780 0.05 . 1 . . . . . . . . 5354 1 125 . 1 1 11 11 ILE HG23 H 1 0.780 0.05 . 1 . . . . . . . . 5354 1 126 . 1 1 11 11 ILE C C 13 174.935 0.3 . 1 . . . . . . . . 5354 1 127 . 1 1 12 12 PHE N N 15 124.820 0.2 . 1 . . . . . . . . 5354 1 128 . 1 1 12 12 PHE H H 1 9.380 0.05 . 1 . . . . . . . . 5354 1 129 . 1 1 12 12 PHE CA C 13 55.617 0.3 . 1 . . . . . . . . 5354 1 130 . 1 1 12 12 PHE HA H 1 5.351 0.05 . 1 . . . . . . . . 5354 1 131 . 1 1 12 12 PHE CB C 13 43.411 0.3 . 1 . . . . . . . . 5354 1 132 . 1 1 12 12 PHE HB3 H 1 2.939 0.05 . 1 . . . . . . . . 5354 1 133 . 1 1 12 12 PHE HB2 H 1 2.939 0.05 . 1 . . . . . . . . 5354 1 134 . 1 1 12 12 PHE CD1 C 13 132.012 0.3 . 1 . . . . . . . . 5354 1 135 . 1 1 12 12 PHE HD1 H 1 7.195 0.05 . 1 . . . . . . . . 5354 1 136 . 1 1 12 12 PHE CE1 C 13 131.094 0.3 . 1 . . . . . . . . 5354 1 137 . 1 1 12 12 PHE HE1 H 1 6.985 0.05 . 1 . . . . . . . . 5354 1 138 . 1 1 12 12 PHE CZ C 13 129.139 0.3 . 1 . . . . . . . . 5354 1 139 . 1 1 12 12 PHE HZ H 1 6.919 0.05 . 1 . . . . . . . . 5354 1 140 . 1 1 12 12 PHE CE2 C 13 131.094 0.3 . 1 . . . . . . . . 5354 1 141 . 1 1 12 12 PHE HE2 H 1 6.985 0.05 . 1 . . . . . . . . 5354 1 142 . 1 1 12 12 PHE CD2 C 13 132.012 0.3 . 1 . . . . . . . . 5354 1 143 . 1 1 12 12 PHE HD2 H 1 7.195 0.05 . 1 . . . . . . . . 5354 1 144 . 1 1 12 12 PHE C C 13 175.895 0.3 . 1 . . . . . . . . 5354 1 145 . 1 1 13 13 THR N N 15 118.546 0.2 . 1 . . . . . . . . 5354 1 146 . 1 1 13 13 THR H H 1 9.092 0.05 . 1 . . . . . . . . 5354 1 147 . 1 1 13 13 THR CA C 13 63.201 0.3 . 1 . . . . . . . . 5354 1 148 . 1 1 13 13 THR HA H 1 5.235 0.05 . 1 . . . . . . . . 5354 1 149 . 1 1 13 13 THR CB C 13 69.046 0.3 . 1 . . . . . . . . 5354 1 150 . 1 1 13 13 THR HB H 1 4.004 0.05 . 1 . . . . . . . . 5354 1 151 . 1 1 13 13 THR CG2 C 13 21.679 0.3 . 1 . . . . . . . . 5354 1 152 . 1 1 13 13 THR HG21 H 1 1.159 0.05 . 1 . . . . . . . . 5354 1 153 . 1 1 13 13 THR HG22 H 1 1.159 0.05 . 1 . . . . . . . . 5354 1 154 . 1 1 13 13 THR HG23 H 1 1.159 0.05 . 1 . . . . . . . . 5354 1 155 . 1 1 13 13 THR C C 13 174.938 0.3 . 1 . . . . . . . . 5354 1 156 . 1 1 14 14 VAL N N 15 119.785 0.2 . 1 . . . . . . . . 5354 1 157 . 1 1 14 14 VAL H H 1 9.471 0.05 . 1 . . . . . . . . 5354 1 158 . 1 1 14 14 VAL CA C 13 57.236 0.3 . 1 . . . . . . . . 5354 1 159 . 1 1 14 14 VAL HA H 1 5.608 0.05 . 1 . . . . . . . . 5354 1 160 . 1 1 14 14 VAL CB C 13 34.694 0.3 . 1 . . . . . . . . 5354 1 161 . 1 1 14 14 VAL HB H 1 1.920 0.05 . 1 . . . . . . . . 5354 1 162 . 1 1 14 14 VAL CG2 C 13 19.292 0.3 . 1 . . . . . . . . 5354 1 163 . 1 1 14 14 VAL HG21 H 1 0.708 0.05 . 2 . . . . . . . . 5354 1 164 . 1 1 14 14 VAL HG22 H 1 0.708 0.05 . 2 . . . . . . . . 5354 1 165 . 1 1 14 14 VAL HG23 H 1 0.708 0.05 . 2 . . . . . . . . 5354 1 166 . 1 1 14 14 VAL CG1 C 13 22.736 0.3 . 1 . . . . . . . . 5354 1 167 . 1 1 14 14 VAL HG11 H 1 0.870 0.05 . 2 . . . . . . . . 5354 1 168 . 1 1 14 14 VAL HG12 H 1 0.870 0.05 . 2 . . . . . . . . 5354 1 169 . 1 1 14 14 VAL HG13 H 1 0.870 0.05 . 2 . . . . . . . . 5354 1 170 . 1 1 14 14 VAL C C 13 175.117 0.3 . 1 . . . . . . . . 5354 1 171 . 1 1 15 15 ASP N N 15 124.131 0.2 . 1 . . . . . . . . 5354 1 172 . 1 1 15 15 ASP H H 1 8.835 0.05 . 1 . . . . . . . . 5354 1 173 . 1 1 15 15 ASP CA C 13 55.493 0.3 . 1 . . . . . . . . 5354 1 174 . 1 1 15 15 ASP HA H 1 4.581 0.05 . 1 . . . . . . . . 5354 1 175 . 1 1 15 15 ASP CB C 13 44.304 0.3 . 1 . . . . . . . . 5354 1 176 . 1 1 15 15 ASP HB3 H 1 2.655 0.05 . 2 . . . . . . . . 5354 1 177 . 1 1 15 15 ASP HB2 H 1 2.826 0.05 . 2 . . . . . . . . 5354 1 178 . 1 1 15 15 ASP C C 13 177.583 0.3 . 1 . . . . . . . . 5354 1 179 . 1 1 16 16 ALA N N 15 129.236 0.2 . 1 . . . . . . . . 5354 1 180 . 1 1 16 16 ALA H H 1 8.646 0.05 . 1 . . . . . . . . 5354 1 181 . 1 1 16 16 ALA CA C 13 54.993 0.3 . 1 . . . . . . . . 5354 1 182 . 1 1 16 16 ALA HA H 1 4.023 0.05 . 1 . . . . . . . . 5354 1 183 . 1 1 16 16 ALA CB C 13 19.502 0.3 . 1 . . . . . . . . 5354 1 184 . 1 1 16 16 ALA HB1 H 1 1.230 0.05 . 1 . . . . . . . . 5354 1 185 . 1 1 16 16 ALA HB2 H 1 1.230 0.05 . 1 . . . . . . . . 5354 1 186 . 1 1 16 16 ALA HB3 H 1 1.230 0.05 . 1 . . . . . . . . 5354 1 187 . 1 1 16 16 ALA C C 13 176.711 0.3 . 1 . . . . . . . . 5354 1 188 . 1 1 17 17 LYS N N 15 114.866 0.2 . 1 . . . . . . . . 5354 1 189 . 1 1 17 17 LYS H H 1 8.546 0.05 . 1 . . . . . . . . 5354 1 190 . 1 1 17 17 LYS CA C 13 57.881 0.3 . 1 . . . . . . . . 5354 1 191 . 1 1 17 17 LYS HA H 1 4.384 0.05 . 1 . . . . . . . . 5354 1 192 . 1 1 17 17 LYS CB C 13 33.047 0.3 . 1 . . . . . . . . 5354 1 193 . 1 1 17 17 LYS HB3 H 1 2.015 0.05 . 1 . . . . . . . . 5354 1 194 . 1 1 17 17 LYS HB2 H 1 2.015 0.05 . 1 . . . . . . . . 5354 1 195 . 1 1 17 17 LYS CG C 13 25.058 0.3 . 1 . . . . . . . . 5354 1 196 . 1 1 17 17 LYS HG3 H 1 1.441 0.05 . 2 . . . . . . . . 5354 1 197 . 1 1 17 17 LYS HG2 H 1 1.562 0.05 . 2 . . . . . . . . 5354 1 198 . 1 1 17 17 LYS CD C 13 28.876 0.3 . 1 . . . . . . . . 5354 1 199 . 1 1 17 17 LYS HD3 H 1 1.762 0.05 . 1 . . . . . . . . 5354 1 200 . 1 1 17 17 LYS HD2 H 1 1.762 0.05 . 1 . . . . . . . . 5354 1 201 . 1 1 17 17 LYS CE C 13 42.230 0.3 . 1 . . . . . . . . 5354 1 202 . 1 1 17 17 LYS HE3 H 1 3.033 0.05 . 1 . . . . . . . . 5354 1 203 . 1 1 17 17 LYS HE2 H 1 3.033 0.05 . 1 . . . . . . . . 5354 1 204 . 1 1 17 17 LYS C C 13 178.653 0.3 . 1 . . . . . . . . 5354 1 205 . 1 1 18 18 THR N N 15 107.084 0.2 . 1 . . . . . . . . 5354 1 206 . 1 1 18 18 THR H H 1 8.517 0.05 . 1 . . . . . . . . 5354 1 207 . 1 1 18 18 THR CA C 13 61.747 0.3 . 1 . . . . . . . . 5354 1 208 . 1 1 18 18 THR HA H 1 4.494 0.05 . 1 . . . . . . . . 5354 1 209 . 1 1 18 18 THR CB C 13 71.067 0.3 . 1 . . . . . . . . 5354 1 210 . 1 1 18 18 THR HB H 1 4.349 0.05 . 1 . . . . . . . . 5354 1 211 . 1 1 18 18 THR CG2 C 13 21.073 0.3 . 1 . . . . . . . . 5354 1 212 . 1 1 18 18 THR HG21 H 1 1.251 0.05 . 1 . . . . . . . . 5354 1 213 . 1 1 18 18 THR HG22 H 1 1.251 0.05 . 1 . . . . . . . . 5354 1 214 . 1 1 18 18 THR HG23 H 1 1.251 0.05 . 1 . . . . . . . . 5354 1 215 . 1 1 18 18 THR C C 13 178.016 0.3 . 1 . . . . . . . . 5354 1 216 . 1 1 19 19 THR N N 15 114.722 0.2 . 1 . . . . . . . . 5354 1 217 . 1 1 19 19 THR H H 1 8.318 0.05 . 1 . . . . . . . . 5354 1 218 . 1 1 19 19 THR CA C 13 64.943 0.3 . 1 . . . . . . . . 5354 1 219 . 1 1 19 19 THR HA H 1 4.093 0.05 . 1 . . . . . . . . 5354 1 220 . 1 1 19 19 THR CB C 13 68.809 0.3 . 1 . . . . . . . . 5354 1 221 . 1 1 19 19 THR HB H 1 4.417 0.05 . 1 . . . . . . . . 5354 1 222 . 1 1 19 19 THR CG2 C 13 22.677 0.3 . 1 . . . . . . . . 5354 1 223 . 1 1 19 19 THR HG21 H 1 1.129 0.05 . 1 . . . . . . . . 5354 1 224 . 1 1 19 19 THR HG22 H 1 1.129 0.05 . 1 . . . . . . . . 5354 1 225 . 1 1 19 19 THR HG23 H 1 1.129 0.05 . 1 . . . . . . . . 5354 1 226 . 1 1 19 19 THR C C 13 173.085 0.3 . 1 . . . . . . . . 5354 1 227 . 1 1 20 20 GLU N N 15 122.917 0.2 . 1 . . . . . . . . 5354 1 228 . 1 1 20 20 GLU H H 1 8.363 0.05 . 1 . . . . . . . . 5354 1 229 . 1 1 20 20 GLU CA C 13 57.595 0.3 . 1 . . . . . . . . 5354 1 230 . 1 1 20 20 GLU HA H 1 3.980 0.05 . 1 . . . . . . . . 5354 1 231 . 1 1 20 20 GLU CB C 13 30.490 0.3 . 1 . . . . . . . . 5354 1 232 . 1 1 20 20 GLU HB3 H 1 1.633 0.05 . 1 . . . . . . . . 5354 1 233 . 1 1 20 20 GLU HB2 H 1 1.633 0.05 . 1 . . . . . . . . 5354 1 234 . 1 1 20 20 GLU CG C 13 36.210 0.3 . 1 . . . . . . . . 5354 1 235 . 1 1 20 20 GLU HG3 H 1 1.970 0.05 . 2 . . . . . . . . 5354 1 236 . 1 1 20 20 GLU HG2 H 1 2.072 0.05 . 2 . . . . . . . . 5354 1 237 . 1 1 20 20 GLU C C 13 176.487 0.3 . 1 . . . . . . . . 5354 1 238 . 1 1 21 21 ILE N N 15 126.264 0.2 . 1 . . . . . . . . 5354 1 239 . 1 1 21 21 ILE H H 1 9.312 0.05 . 1 . . . . . . . . 5354 1 240 . 1 1 21 21 ILE CA C 13 64.115 0.3 . 1 . . . . . . . . 5354 1 241 . 1 1 21 21 ILE HA H 1 3.927 0.05 . 1 . . . . . . . . 5354 1 242 . 1 1 21 21 ILE CB C 13 38.471 0.3 . 1 . . . . . . . . 5354 1 243 . 1 1 21 21 ILE HB H 1 2.238 0.05 . 1 . . . . . . . . 5354 1 244 . 1 1 21 21 ILE CG1 C 13 29.728 0.3 . 1 . . . . . . . . 5354 1 245 . 1 1 21 21 ILE HG13 H 1 2.164 0.05 . 4 . . . . . . . . 5354 1 246 . 1 1 21 21 ILE HG12 H 1 2.164 0.05 . 1 . . . . . . . . 5354 1 247 . 1 1 21 21 ILE CD1 C 13 14.401 0.3 . 1 . . . . . . . . 5354 1 248 . 1 1 21 21 ILE HD11 H 1 0.770 0.05 . 1 . . . . . . . . 5354 1 249 . 1 1 21 21 ILE HD12 H 1 0.770 0.05 . 1 . . . . . . . . 5354 1 250 . 1 1 21 21 ILE HD13 H 1 0.770 0.05 . 1 . . . . . . . . 5354 1 251 . 1 1 21 21 ILE CG2 C 13 18.545 0.3 . 1 . . . . . . . . 5354 1 252 . 1 1 21 21 ILE HG21 H 1 0.969 0.05 . 4 . . . . . . . . 5354 1 253 . 1 1 21 21 ILE HG22 H 1 0.969 0.05 . 4 . . . . . . . . 5354 1 254 . 1 1 21 21 ILE HG23 H 1 0.969 0.05 . 4 . . . . . . . . 5354 1 255 . 1 1 21 21 ILE C C 13 175.703 0.3 . 1 . . . . . . . . 5354 1 256 . 1 1 22 22 LEU N N 15 130.102 0.2 . 1 . . . . . . . . 5354 1 257 . 1 1 22 22 LEU H H 1 9.404 0.05 . 1 . . . . . . . . 5354 1 258 . 1 1 22 22 LEU CA C 13 55.807 0.3 . 1 . . . . . . . . 5354 1 259 . 1 1 22 22 LEU HA H 1 4.544 0.05 . 1 . . . . . . . . 5354 1 260 . 1 1 22 22 LEU CB C 13 42.539 0.3 . 1 . . . . . . . . 5354 1 261 . 1 1 22 22 LEU HB3 H 1 1.795 0.05 . 1 . . . . . . . . 5354 1 262 . 1 1 22 22 LEU HB2 H 1 1.795 0.05 . 1 . . . . . . . . 5354 1 263 . 1 1 22 22 LEU CG C 13 27.151 0.3 . 1 . . . . . . . . 5354 1 264 . 1 1 22 22 LEU HG H 1 1.628 0.05 . 1 . . . . . . . . 5354 1 265 . 1 1 22 22 LEU CD1 C 13 21.842 0.3 . 1 . . . . . . . . 5354 1 266 . 1 1 22 22 LEU HD11 H 1 0.754 0.05 . 2 . . . . . . . . 5354 1 267 . 1 1 22 22 LEU HD12 H 1 0.754 0.05 . 2 . . . . . . . . 5354 1 268 . 1 1 22 22 LEU HD13 H 1 0.754 0.05 . 2 . . . . . . . . 5354 1 269 . 1 1 22 22 LEU CD2 C 13 25.982 0.3 . 1 . . . . . . . . 5354 1 270 . 1 1 22 22 LEU HD21 H 1 0.789 0.05 . 2 . . . . . . . . 5354 1 271 . 1 1 22 22 LEU HD22 H 1 0.789 0.05 . 2 . . . . . . . . 5354 1 272 . 1 1 22 22 LEU HD23 H 1 0.789 0.05 . 2 . . . . . . . . 5354 1 273 . 1 1 22 22 LEU C C 13 177.025 0.3 . 1 . . . . . . . . 5354 1 274 . 1 1 23 23 VAL N N 15 116.865 0.2 . 1 . . . . . . . . 5354 1 275 . 1 1 23 23 VAL H H 1 7.868 0.05 . 1 . . . . . . . . 5354 1 276 . 1 1 23 23 VAL CA C 13 61.675 0.3 . 1 . . . . . . . . 5354 1 277 . 1 1 23 23 VAL HA H 1 4.130 0.05 . 1 . . . . . . . . 5354 1 278 . 1 1 23 23 VAL CB C 13 36.503 0.3 . 1 . . . . . . . . 5354 1 279 . 1 1 23 23 VAL HB H 1 1.980 0.05 . 1 . . . . . . . . 5354 1 280 . 1 1 23 23 VAL CG2 C 13 20.903 0.3 . 1 . . . . . . . . 5354 1 281 . 1 1 23 23 VAL HG21 H 1 0.938 0.05 . 4 . . . . . . . . 5354 1 282 . 1 1 23 23 VAL HG22 H 1 0.938 0.05 . 4 . . . . . . . . 5354 1 283 . 1 1 23 23 VAL HG23 H 1 0.938 0.05 . 4 . . . . . . . . 5354 1 284 . 1 1 23 23 VAL CG1 C 13 21.679 0.3 . 1 . . . . . . . . 5354 1 285 . 1 1 23 23 VAL HG11 H 1 0.976 0.05 . 2 . . . . . . . . 5354 1 286 . 1 1 23 23 VAL HG12 H 1 0.976 0.05 . 2 . . . . . . . . 5354 1 287 . 1 1 23 23 VAL HG13 H 1 0.976 0.05 . 2 . . . . . . . . 5354 1 288 . 1 1 23 23 VAL C C 13 173.472 0.3 . 1 . . . . . . . . 5354 1 289 . 1 1 24 24 ALA N N 15 128.018 0.2 . 1 . . . . . . . . 5354 1 290 . 1 1 24 24 ALA H H 1 8.287 0.05 . 1 . . . . . . . . 5354 1 291 . 1 1 24 24 ALA CA C 13 51.288 0.3 . 1 . . . . . . . . 5354 1 292 . 1 1 24 24 ALA HA H 1 4.922 0.05 . 1 . . . . . . . . 5354 1 293 . 1 1 24 24 ALA CB C 13 22.723 0.3 . 1 . . . . . . . . 5354 1 294 . 1 1 24 24 ALA HB1 H 1 1.149 0.05 . 1 . . . . . . . . 5354 1 295 . 1 1 24 24 ALA HB2 H 1 1.149 0.05 . 1 . . . . . . . . 5354 1 296 . 1 1 24 24 ALA HB3 H 1 1.149 0.05 . 1 . . . . . . . . 5354 1 297 . 1 1 24 24 ALA C C 13 175.573 0.3 . 1 . . . . . . . . 5354 1 298 . 1 1 25 25 ASN N N 15 120.188 0.2 . 1 . . . . . . . . 5354 1 299 . 1 1 25 25 ASN H H 1 7.849 0.05 . 1 . . . . . . . . 5354 1 300 . 1 1 25 25 ASN CA C 13 51.271 0.3 . 1 . . . . . . . . 5354 1 301 . 1 1 25 25 ASN HA H 1 4.793 0.05 . 1 . . . . . . . . 5354 1 302 . 1 1 25 25 ASN CB C 13 38.011 0.3 . 1 . . . . . . . . 5354 1 303 . 1 1 25 25 ASN HB3 H 1 2.979 0.05 . 2 . . . . . . . . 5354 1 304 . 1 1 25 25 ASN HB2 H 1 3.620 0.05 . 2 . . . . . . . . 5354 1 305 . 1 1 25 25 ASN CG C 13 177.826 0.3 . 1 . . . . . . . . 5354 1 306 . 1 1 25 25 ASN ND2 N 15 112.804 0.2 . 1 . . . . . . . . 5354 1 307 . 1 1 25 25 ASN HD21 H 1 8.147 0.05 . 1 . . . . . . . . 5354 1 308 . 1 1 25 25 ASN HD22 H 1 7.798 0.05 . 1 . . . . . . . . 5354 1 309 . 1 1 25 25 ASN C C 13 174.591 0.3 . 1 . . . . . . . . 5354 1 310 . 1 1 26 26 ASP N N 15 120.180 0.2 . 1 . . . . . . . . 5354 1 311 . 1 1 26 26 ASP H H 1 8.627 0.05 . 1 . . . . . . . . 5354 1 312 . 1 1 26 26 ASP CA C 13 58.184 0.3 . 1 . . . . . . . . 5354 1 313 . 1 1 26 26 ASP HA H 1 4.323 0.05 . 1 . . . . . . . . 5354 1 314 . 1 1 26 26 ASP CB C 13 39.741 0.3 . 1 . . . . . . . . 5354 1 315 . 1 1 26 26 ASP HB3 H 1 2.706 0.05 . 1 . . . . . . . . 5354 1 316 . 1 1 26 26 ASP HB2 H 1 2.706 0.05 . 1 . . . . . . . . 5354 1 317 . 1 1 26 26 ASP C C 13 179.664 0.3 . 1 . . . . . . . . 5354 1 318 . 1 1 27 27 LYS N N 15 120.358 0.2 . 1 . . . . . . . . 5354 1 319 . 1 1 27 27 LYS H H 1 8.144 0.05 . 1 . . . . . . . . 5354 1 320 . 1 1 27 27 LYS CA C 13 57.895 0.3 . 1 . . . . . . . . 5354 1 321 . 1 1 27 27 LYS HA H 1 4.071 0.05 . 1 . . . . . . . . 5354 1 322 . 1 1 27 27 LYS CB C 13 30.935 0.3 . 1 . . . . . . . . 5354 1 323 . 1 1 27 27 LYS HB3 H 1 1.763 0.05 . 1 . . . . . . . . 5354 1 324 . 1 1 27 27 LYS HB2 H 1 1.643 0.05 . 1 . . . . . . . . 5354 1 325 . 1 1 27 27 LYS CG C 13 24.786 0.3 . 1 . . . . . . . . 5354 1 326 . 1 1 27 27 LYS HG3 H 1 1.288 0.05 . 1 . . . . . . . . 5354 1 327 . 1 1 27 27 LYS HG2 H 1 1.288 0.05 . 1 . . . . . . . . 5354 1 328 . 1 1 27 27 LYS CD C 13 28.069 0.3 . 1 . . . . . . . . 5354 1 329 . 1 1 27 27 LYS HD3 H 1 1.549 0.05 . 1 . . . . . . . . 5354 1 330 . 1 1 27 27 LYS HD2 H 1 1.549 0.05 . 1 . . . . . . . . 5354 1 331 . 1 1 27 27 LYS CE C 13 42.315 0.3 . 1 . . . . . . . . 5354 1 332 . 1 1 27 27 LYS HE3 H 1 2.901 0.05 . 1 . . . . . . . . 5354 1 333 . 1 1 27 27 LYS HE2 H 1 2.901 0.05 . 1 . . . . . . . . 5354 1 334 . 1 1 27 27 LYS C C 13 178.467 0.3 . 1 . . . . . . . . 5354 1 335 . 1 1 28 28 ALA N N 15 123.080 0.2 . 1 . . . . . . . . 5354 1 336 . 1 1 28 28 ALA H H 1 7.788 0.05 . 1 . . . . . . . . 5354 1 337 . 1 1 28 28 ALA CA C 13 55.893 0.3 . 1 . . . . . . . . 5354 1 338 . 1 1 28 28 ALA HA H 1 3.723 0.05 . 1 . . . . . . . . 5354 1 339 . 1 1 28 28 ALA CB C 13 17.805 0.3 . 1 . . . . . . . . 5354 1 340 . 1 1 28 28 ALA HB1 H 1 0.766 0.05 . 1 . . . . . . . . 5354 1 341 . 1 1 28 28 ALA HB2 H 1 0.766 0.05 . 1 . . . . . . . . 5354 1 342 . 1 1 28 28 ALA HB3 H 1 0.766 0.05 . 1 . . . . . . . . 5354 1 343 . 1 1 28 28 ALA C C 13 178.476 0.3 . 1 . . . . . . . . 5354 1 344 . 1 1 29 29 CYS N N 15 115.242 0.2 . 1 . . . . . . . . 5354 1 345 . 1 1 29 29 CYS H H 1 7.615 0.05 . 1 . . . . . . . . 5354 1 346 . 1 1 29 29 CYS CA C 13 63.870 0.3 . 1 . . . . . . . . 5354 1 347 . 1 1 29 29 CYS HA H 1 4.008 0.05 . 1 . . . . . . . . 5354 1 348 . 1 1 29 29 CYS CB C 13 26.424 0.3 . 1 . . . . . . . . 5354 1 349 . 1 1 29 29 CYS HB3 H 1 3.092 0.05 . 2 . . . . . . . . 5354 1 350 . 1 1 29 29 CYS HB2 H 1 3.411 0.05 . 2 . . . . . . . . 5354 1 351 . 1 1 29 29 CYS C C 13 178.193 0.3 . 1 . . . . . . . . 5354 1 352 . 1 1 30 30 GLY N N 15 106.679 0.2 . 1 . . . . . . . . 5354 1 353 . 1 1 30 30 GLY H H 1 8.302 0.05 . 1 . . . . . . . . 5354 1 354 . 1 1 30 30 GLY CA C 13 46.675 0.3 . 1 . . . . . . . . 5354 1 355 . 1 1 30 30 GLY HA3 H 1 3.832 0.05 . 1 . . . . . . . . 5354 1 356 . 1 1 30 30 GLY HA2 H 1 3.832 0.05 . 1 . . . . . . . . 5354 1 357 . 1 1 30 30 GLY C C 13 175.741 0.3 . 1 . . . . . . . . 5354 1 358 . 1 1 31 31 LEU N N 15 122.651 0.2 . 1 . . . . . . . . 5354 1 359 . 1 1 31 31 LEU H H 1 8.145 0.05 . 1 . . . . . . . . 5354 1 360 . 1 1 31 31 LEU CA C 13 57.471 0.3 . 1 . . . . . . . . 5354 1 361 . 1 1 31 31 LEU HA H 1 4.121 0.05 . 1 . . . . . . . . 5354 1 362 . 1 1 31 31 LEU CB C 13 42.662 0.3 . 1 . . . . . . . . 5354 1 363 . 1 1 31 31 LEU HB3 H 1 1.671 0.05 . 1 . . . . . . . . 5354 1 364 . 1 1 31 31 LEU HB2 H 1 1.832 0.05 . 1 . . . . . . . . 5354 1 365 . 1 1 31 31 LEU CG C 13 27.160 0.3 . 1 . . . . . . . . 5354 1 366 . 1 1 31 31 LEU HG H 1 1.534 0.05 . 1 . . . . . . . . 5354 1 367 . 1 1 31 31 LEU CD1 C 13 23.992 0.3 . 1 . . . . . . . . 5354 1 368 . 1 1 31 31 LEU HD11 H 1 0.901 0.05 . 2 . . . . . . . . 5354 1 369 . 1 1 31 31 LEU HD12 H 1 0.901 0.05 . 2 . . . . . . . . 5354 1 370 . 1 1 31 31 LEU HD13 H 1 0.901 0.05 . 2 . . . . . . . . 5354 1 371 . 1 1 31 31 LEU CD2 C 13 26.222 0.3 . 1 . . . . . . . . 5354 1 372 . 1 1 31 31 LEU HD21 H 1 0.807 0.05 . 2 . . . . . . . . 5354 1 373 . 1 1 31 31 LEU HD22 H 1 0.807 0.05 . 2 . . . . . . . . 5354 1 374 . 1 1 31 31 LEU HD23 H 1 0.807 0.05 . 2 . . . . . . . . 5354 1 375 . 1 1 31 31 LEU C C 13 177.909 0.3 . 1 . . . . . . . . 5354 1 376 . 1 1 32 32 LEU N N 15 112.398 0.2 . 1 . . . . . . . . 5354 1 377 . 1 1 32 32 LEU H H 1 7.351 0.05 . 1 . . . . . . . . 5354 1 378 . 1 1 32 32 LEU CA C 13 56.075 0.3 . 1 . . . . . . . . 5354 1 379 . 1 1 32 32 LEU HA H 1 4.170 0.05 . 1 . . . . . . . . 5354 1 380 . 1 1 32 32 LEU CB C 13 42.758 0.3 . 1 . . . . . . . . 5354 1 381 . 1 1 32 32 LEU HB3 H 1 1.592 0.05 . 1 . . . . . . . . 5354 1 382 . 1 1 32 32 LEU HB2 H 1 1.592 0.05 . 1 . . . . . . . . 5354 1 383 . 1 1 32 32 LEU CG C 13 27.542 0.3 . 1 . . . . . . . . 5354 1 384 . 1 1 32 32 LEU HG H 1 1.730 0.05 . 1 . . . . . . . . 5354 1 385 . 1 1 32 32 LEU CD1 C 13 25.410 0.3 . 1 . . . . . . . . 5354 1 386 . 1 1 32 32 LEU HD11 H 1 0.338 0.05 . 2 . . . . . . . . 5354 1 387 . 1 1 32 32 LEU HD12 H 1 0.338 0.05 . 2 . . . . . . . . 5354 1 388 . 1 1 32 32 LEU HD13 H 1 0.338 0.05 . 2 . . . . . . . . 5354 1 389 . 1 1 32 32 LEU CD2 C 13 23.023 0.3 . 1 . . . . . . . . 5354 1 390 . 1 1 32 32 LEU HD21 H 1 0.570 0.05 . 2 . . . . . . . . 5354 1 391 . 1 1 32 32 LEU HD22 H 1 0.570 0.05 . 2 . . . . . . . . 5354 1 392 . 1 1 32 32 LEU HD23 H 1 0.570 0.05 . 2 . . . . . . . . 5354 1 393 . 1 1 32 32 LEU C C 13 177.033 0.3 . 1 . . . . . . . . 5354 1 394 . 1 1 33 33 GLY N N 15 106.771 0.2 . 1 . . . . . . . . 5354 1 395 . 1 1 33 33 GLY H H 1 8.103 0.05 . 1 . . . . . . . . 5354 1 396 . 1 1 33 33 GLY CA C 13 46.047 0.3 . 1 . . . . . . . . 5354 1 397 . 1 1 33 33 GLY HA3 H 1 3.784 0.05 . 2 . . . . . . . . 5354 1 398 . 1 1 33 33 GLY HA2 H 1 4.148 0.05 . 2 . . . . . . . . 5354 1 399 . 1 1 33 33 GLY C C 13 174.041 0.3 . 1 . . . . . . . . 5354 1 400 . 1 1 34 34 TYR N N 15 117.548 0.2 . 1 . . . . . . . . 5354 1 401 . 1 1 34 34 TYR H H 1 7.554 0.05 . 1 . . . . . . . . 5354 1 402 . 1 1 34 34 TYR CA C 13 56.711 0.3 . 1 . . . . . . . . 5354 1 403 . 1 1 34 34 TYR HA H 1 4.851 0.05 . 1 . . . . . . . . 5354 1 404 . 1 1 34 34 TYR CB C 13 43.982 0.3 . 1 . . . . . . . . 5354 1 405 . 1 1 34 34 TYR HB3 H 1 2.329 0.05 . 2 . . . . . . . . 5354 1 406 . 1 1 34 34 TYR HB2 H 1 3.268 0.05 . 2 . . . . . . . . 5354 1 407 . 1 1 34 34 TYR CD1 C 13 133.475 0.3 . 1 . . . . . . . . 5354 1 408 . 1 1 34 34 TYR HD1 H 1 7.010 0.05 . 1 . . . . . . . . 5354 1 409 . 1 1 34 34 TYR CE1 C 13 117.988 0.3 . 1 . . . . . . . . 5354 1 410 . 1 1 34 34 TYR HE1 H 1 6.904 0.05 . 1 . . . . . . . . 5354 1 411 . 1 1 34 34 TYR CE2 C 13 117.988 0.3 . 1 . . . . . . . . 5354 1 412 . 1 1 34 34 TYR HE2 H 1 6.904 0.05 . 1 . . . . . . . . 5354 1 413 . 1 1 34 34 TYR CD2 C 13 133.475 0.3 . 1 . . . . . . . . 5354 1 414 . 1 1 34 34 TYR HD2 H 1 7.010 0.05 . 1 . . . . . . . . 5354 1 415 . 1 1 34 34 TYR C C 13 175.036 0.3 . 1 . . . . . . . . 5354 1 416 . 1 1 35 35 SER N N 15 115.538 0.2 . 1 . . . . . . . . 5354 1 417 . 1 1 35 35 SER H H 1 9.028 0.05 . 1 . . . . . . . . 5354 1 418 . 1 1 35 35 SER CA C 13 57.441 0.3 . 1 . . . . . . . . 5354 1 419 . 1 1 35 35 SER HA H 1 4.596 0.05 . 1 . . . . . . . . 5354 1 420 . 1 1 35 35 SER CB C 13 64.762 0.3 . 1 . . . . . . . . 5354 1 421 . 1 1 35 35 SER HB3 H 1 4.068 0.05 . 1 . . . . . . . . 5354 1 422 . 1 1 35 35 SER HB2 H 1 4.195 0.05 . 1 . . . . . . . . 5354 1 423 . 1 1 35 35 SER C C 13 175.814 0.3 . 1 . . . . . . . . 5354 1 424 . 1 1 36 36 SER N N 15 118.281 0.2 . 1 . . . . . . . . 5354 1 425 . 1 1 36 36 SER H H 1 9.101 0.05 . 1 . . . . . . . . 5354 1 426 . 1 1 36 36 SER CA C 13 62.683 0.3 . 1 . . . . . . . . 5354 1 427 . 1 1 36 36 SER HA H 1 4.024 0.05 . 1 . . . . . . . . 5354 1 428 . 1 1 36 36 SER CB C 13 62.921 0.3 . 1 . . . . . . . . 5354 1 429 . 1 1 36 36 SER HB3 H 1 3.914 0.05 . 2 . . . . . . . . 5354 1 430 . 1 1 36 36 SER C C 13 176.873 0.3 . 1 . . . . . . . . 5354 1 431 . 1 1 37 37 GLN N N 15 117.870 0.2 . 1 . . . . . . . . 5354 1 432 . 1 1 37 37 GLN H H 1 8.429 0.05 . 1 . . . . . . . . 5354 1 433 . 1 1 37 37 GLN CA C 13 58.746 0.3 . 1 . . . . . . . . 5354 1 434 . 1 1 37 37 GLN HA H 1 4.131 0.05 . 1 . . . . . . . . 5354 1 435 . 1 1 37 37 GLN CB C 13 27.966 0.3 . 1 . . . . . . . . 5354 1 436 . 1 1 37 37 GLN HB3 H 1 2.081 0.05 . 2 . . . . . . . . 5354 1 437 . 1 1 37 37 GLN HB2 H 1 2.131 0.05 . 2 . . . . . . . . 5354 1 438 . 1 1 37 37 GLN CG C 13 33.854 0.3 . 1 . . . . . . . . 5354 1 439 . 1 1 37 37 GLN HG3 H 1 2.474 0.05 . 1 . . . . . . . . 5354 1 440 . 1 1 37 37 GLN HG2 H 1 2.474 0.05 . 1 . . . . . . . . 5354 1 441 . 1 1 37 37 GLN CD C 13 180.795 0.3 . 1 . . . . . . . . 5354 1 442 . 1 1 37 37 GLN NE2 N 15 112.206 0.2 . 1 . . . . . . . . 5354 1 443 . 1 1 37 37 GLN HE21 H 1 7.620 0.05 . 1 . . . . . . . . 5354 1 444 . 1 1 37 37 GLN HE22 H 1 6.871 0.05 . 1 . . . . . . . . 5354 1 445 . 1 1 37 37 GLN C C 13 177.287 0.3 . 1 . . . . . . . . 5354 1 446 . 1 1 38 38 ASP N N 15 117.526 0.2 . 1 . . . . . . . . 5354 1 447 . 1 1 38 38 ASP H H 1 7.574 0.05 . 1 . . . . . . . . 5354 1 448 . 1 1 38 38 ASP CA C 13 55.595 0.3 . 1 . . . . . . . . 5354 1 449 . 1 1 38 38 ASP HA H 1 4.704 0.05 . 1 . . . . . . . . 5354 1 450 . 1 1 38 38 ASP CB C 13 41.904 0.3 . 1 . . . . . . . . 5354 1 451 . 1 1 38 38 ASP HB3 H 1 2.877 0.05 . 2 . . . . . . . . 5354 1 452 . 1 1 38 38 ASP HB2 H 1 2.958 0.05 . 2 . . . . . . . . 5354 1 453 . 1 1 38 38 ASP C C 13 176.425 0.3 . 1 . . . . . . . . 5354 1 454 . 1 1 39 39 LEU N N 15 119.701 0.2 . 1 . . . . . . . . 5354 1 455 . 1 1 39 39 LEU H H 1 7.751 0.05 . 1 . . . . . . . . 5354 1 456 . 1 1 39 39 LEU CA C 13 56.198 0.3 . 1 . . . . . . . . 5354 1 457 . 1 1 39 39 LEU HA H 1 4.089 0.05 . 1 . . . . . . . . 5354 1 458 . 1 1 39 39 LEU CB C 13 44.366 0.3 . 1 . . . . . . . . 5354 1 459 . 1 1 39 39 LEU HB3 H 1 1.595 0.05 . 1 . . . . . . . . 5354 1 460 . 1 1 39 39 LEU HB2 H 1 1.456 0.05 . 1 . . . . . . . . 5354 1 461 . 1 1 39 39 LEU CG C 13 26.617 0.3 . 1 . . . . . . . . 5354 1 462 . 1 1 39 39 LEU HG H 1 1.534 0.05 . 1 . . . . . . . . 5354 1 463 . 1 1 39 39 LEU CD1 C 13 26.026 0.3 . 1 . . . . . . . . 5354 1 464 . 1 1 39 39 LEU HD11 H 1 0.622 0.05 . 2 . . . . . . . . 5354 1 465 . 1 1 39 39 LEU HD12 H 1 0.622 0.05 . 2 . . . . . . . . 5354 1 466 . 1 1 39 39 LEU HD13 H 1 0.622 0.05 . 2 . . . . . . . . 5354 1 467 . 1 1 39 39 LEU CD2 C 13 25.585 0.3 . 1 . . . . . . . . 5354 1 468 . 1 1 39 39 LEU HD21 H 1 0.487 0.05 . 2 . . . . . . . . 5354 1 469 . 1 1 39 39 LEU HD22 H 1 0.487 0.05 . 2 . . . . . . . . 5354 1 470 . 1 1 39 39 LEU HD23 H 1 0.487 0.05 . 2 . . . . . . . . 5354 1 471 . 1 1 39 39 LEU C C 13 176.896 0.3 . 1 . . . . . . . . 5354 1 472 . 1 1 40 40 ILE N N 15 117.791 0.2 . 1 . . . . . . . . 5354 1 473 . 1 1 40 40 ILE H H 1 7.684 0.05 . 1 . . . . . . . . 5354 1 474 . 1 1 40 40 ILE CA C 13 63.480 0.3 . 1 . . . . . . . . 5354 1 475 . 1 1 40 40 ILE HA H 1 3.579 0.05 . 1 . . . . . . . . 5354 1 476 . 1 1 40 40 ILE CB C 13 36.402 0.3 . 1 . . . . . . . . 5354 1 477 . 1 1 40 40 ILE HB H 1 1.916 0.05 . 1 . . . . . . . . 5354 1 478 . 1 1 40 40 ILE CG1 C 13 28.253 0.3 . 1 . . . . . . . . 5354 1 479 . 1 1 40 40 ILE HG13 H 1 1.403 0.05 . 2 . . . . . . . . 5354 1 480 . 1 1 40 40 ILE HG12 H 1 1.574 0.05 . 2 . . . . . . . . 5354 1 481 . 1 1 40 40 ILE CD1 C 13 12.295 0.3 . 1 . . . . . . . . 5354 1 482 . 1 1 40 40 ILE HD11 H 1 0.827 0.05 . 1 . . . . . . . . 5354 1 483 . 1 1 40 40 ILE HD12 H 1 0.827 0.05 . 1 . . . . . . . . 5354 1 484 . 1 1 40 40 ILE HD13 H 1 0.827 0.05 . 1 . . . . . . . . 5354 1 485 . 1 1 40 40 ILE CG2 C 13 17.534 0.3 . 1 . . . . . . . . 5354 1 486 . 1 1 40 40 ILE HG21 H 1 0.994 0.05 . 1 . . . . . . . . 5354 1 487 . 1 1 40 40 ILE HG22 H 1 0.994 0.05 . 1 . . . . . . . . 5354 1 488 . 1 1 40 40 ILE HG23 H 1 0.994 0.05 . 1 . . . . . . . . 5354 1 489 . 1 1 40 40 ILE C C 13 178.030 0.3 . 1 . . . . . . . . 5354 1 490 . 1 1 41 41 GLY N N 15 116.528 0.2 . 1 . . . . . . . . 5354 1 491 . 1 1 41 41 GLY H H 1 9.154 0.05 . 1 . . . . . . . . 5354 1 492 . 1 1 41 41 GLY CA C 13 45.063 0.3 . 1 . . . . . . . . 5354 1 493 . 1 1 41 41 GLY HA3 H 1 3.810 0.05 . 2 . . . . . . . . 5354 1 494 . 1 1 41 41 GLY HA2 H 1 4.555 0.05 . 2 . . . . . . . . 5354 1 495 . 1 1 41 41 GLY C C 13 175.314 0.3 . 1 . . . . . . . . 5354 1 496 . 1 1 42 42 GLN N N 15 118.982 0.2 . 1 . . . . . . . . 5354 1 497 . 1 1 42 42 GLN H H 1 8.219 0.05 . 1 . . . . . . . . 5354 1 498 . 1 1 42 42 GLN CA C 13 55.091 0.3 . 1 . . . . . . . . 5354 1 499 . 1 1 42 42 GLN HA H 1 4.468 0.05 . 1 . . . . . . . . 5354 1 500 . 1 1 42 42 GLN CB C 13 28.989 0.3 . 1 . . . . . . . . 5354 1 501 . 1 1 42 42 GLN HB3 H 1 2.171 0.05 . 2 . . . . . . . . 5354 1 502 . 1 1 42 42 GLN HB2 H 1 2.234 0.05 . 2 . . . . . . . . 5354 1 503 . 1 1 42 42 GLN CG C 13 34.459 0.3 . 1 . . . . . . . . 5354 1 504 . 1 1 42 42 GLN HG3 H 1 2.330 0.05 . 2 . . . . . . . . 5354 1 505 . 1 1 42 42 GLN HG2 H 1 2.471 0.05 . 2 . . . . . . . . 5354 1 506 . 1 1 42 42 GLN CD C 13 179.714 0.3 . 1 . . . . . . . . 5354 1 507 . 1 1 42 42 GLN NE2 N 15 113.050 0.2 . 1 . . . . . . . . 5354 1 508 . 1 1 42 42 GLN HE21 H 1 7.587 0.05 . 1 . . . . . . . . 5354 1 509 . 1 1 42 42 GLN HE22 H 1 6.379 0.05 . 1 . . . . . . . . 5354 1 510 . 1 1 42 42 GLN C C 13 175.658 0.3 . 1 . . . . . . . . 5354 1 511 . 1 1 43 43 LYS N N 15 120.661 0.2 . 1 . . . . . . . . 5354 1 512 . 1 1 43 43 LYS H H 1 8.545 0.05 . 1 . . . . . . . . 5354 1 513 . 1 1 43 43 LYS CA C 13 56.724 0.3 . 1 . . . . . . . . 5354 1 514 . 1 1 43 43 LYS HA H 1 4.282 0.05 . 1 . . . . . . . . 5354 1 515 . 1 1 43 43 LYS CB C 13 32.761 0.3 . 1 . . . . . . . . 5354 1 516 . 1 1 43 43 LYS HB3 H 1 1.646 0.05 . 2 . . . . . . . . 5354 1 517 . 1 1 43 43 LYS HB2 H 1 1.817 0.05 . 2 . . . . . . . . 5354 1 518 . 1 1 43 43 LYS CG C 13 25.774 0.3 . 1 . . . . . . . . 5354 1 519 . 1 1 43 43 LYS HG3 H 1 1.292 0.05 . 2 . . . . . . . . 5354 1 520 . 1 1 43 43 LYS HG2 H 1 1.595 0.05 . 2 . . . . . . . . 5354 1 521 . 1 1 43 43 LYS CE C 13 42.227 0.3 . 1 . . . . . . . . 5354 1 522 . 1 1 43 43 LYS HE3 H 1 3.015 0.05 . 1 . . . . . . . . 5354 1 523 . 1 1 43 43 LYS HE2 H 1 3.015 0.05 . 1 . . . . . . . . 5354 1 524 . 1 1 43 43 LYS C C 13 177.735 0.3 . 1 . . . . . . . . 5354 1 525 . 1 1 44 44 LEU N N 15 125.258 0.2 . 1 . . . . . . . . 5354 1 526 . 1 1 44 44 LEU H H 1 8.611 0.05 . 1 . . . . . . . . 5354 1 527 . 1 1 44 44 LEU CA C 13 57.444 0.3 . 1 . . . . . . . . 5354 1 528 . 1 1 44 44 LEU HA H 1 4.124 0.05 . 1 . . . . . . . . 5354 1 529 . 1 1 44 44 LEU CB C 13 42.700 0.3 . 1 . . . . . . . . 5354 1 530 . 1 1 44 44 LEU HB3 H 1 1.578 0.05 . 1 . . . . . . . . 5354 1 531 . 1 1 44 44 LEU HB2 H 1 1.487 0.05 . 1 . . . . . . . . 5354 1 532 . 1 1 44 44 LEU CG C 13 26.459 0.3 . 1 . . . . . . . . 5354 1 533 . 1 1 44 44 LEU HG H 1 1.618 0.05 . 1 . . . . . . . . 5354 1 534 . 1 1 44 44 LEU CD1 C 13 21.663 0.3 . 1 . . . . . . . . 5354 1 535 . 1 1 44 44 LEU HD11 H 1 0.160 0.05 . 2 . . . . . . . . 5354 1 536 . 1 1 44 44 LEU HD12 H 1 0.160 0.05 . 2 . . . . . . . . 5354 1 537 . 1 1 44 44 LEU HD13 H 1 0.160 0.05 . 2 . . . . . . . . 5354 1 538 . 1 1 44 44 LEU CD2 C 13 26.377 0.3 . 1 . . . . . . . . 5354 1 539 . 1 1 44 44 LEU HD21 H 1 0.612 0.05 . 2 . . . . . . . . 5354 1 540 . 1 1 44 44 LEU HD22 H 1 0.612 0.05 . 2 . . . . . . . . 5354 1 541 . 1 1 44 44 LEU HD23 H 1 0.612 0.05 . 2 . . . . . . . . 5354 1 542 . 1 1 44 44 LEU C C 13 177.528 0.3 . 1 . . . . . . . . 5354 1 543 . 1 1 45 45 THR N N 15 102.960 0.2 . 1 . . . . . . . . 5354 1 544 . 1 1 45 45 THR H H 1 7.433 0.05 . 1 . . . . . . . . 5354 1 545 . 1 1 45 45 THR CA C 13 64.720 0.3 . 1 . . . . . . . . 5354 1 546 . 1 1 45 45 THR HA H 1 3.696 0.05 . 1 . . . . . . . . 5354 1 547 . 1 1 45 45 THR CB C 13 68.249 0.3 . 1 . . . . . . . . 5354 1 548 . 1 1 45 45 THR HB H 1 4.306 0.05 . 1 . . . . . . . . 5354 1 549 . 1 1 45 45 THR CG2 C 13 23.246 0.3 . 1 . . . . . . . . 5354 1 550 . 1 1 45 45 THR HG21 H 1 1.310 0.05 . 1 . . . . . . . . 5354 1 551 . 1 1 45 45 THR HG22 H 1 1.310 0.05 . 1 . . . . . . . . 5354 1 552 . 1 1 45 45 THR HG23 H 1 1.310 0.05 . 1 . . . . . . . . 5354 1 553 . 1 1 45 45 THR C C 13 176.268 0.3 . 1 . . . . . . . . 5354 1 554 . 1 1 46 46 GLN N N 15 118.720 0.2 . 1 . . . . . . . . 5354 1 555 . 1 1 46 46 GLN H H 1 7.266 0.05 . 1 . . . . . . . . 5354 1 556 . 1 1 46 46 GLN CA C 13 57.304 0.3 . 1 . . . . . . . . 5354 1 557 . 1 1 46 46 GLN HA H 1 4.072 0.05 . 1 . . . . . . . . 5354 1 558 . 1 1 46 46 GLN CB C 13 28.550 0.3 . 1 . . . . . . . . 5354 1 559 . 1 1 46 46 GLN HB3 H 1 1.573 0.05 . 1 . . . . . . . . 5354 1 560 . 1 1 46 46 GLN HB2 H 1 1.739 0.05 . 1 . . . . . . . . 5354 1 561 . 1 1 46 46 GLN CG C 13 33.878 0.3 . 1 . . . . . . . . 5354 1 562 . 1 1 46 46 GLN HG3 H 1 1.557 0.05 . 2 . . . . . . . . 5354 1 563 . 1 1 46 46 GLN HG2 H 1 2.125 0.05 . 2 . . . . . . . . 5354 1 564 . 1 1 46 46 GLN CD C 13 180.581 0.3 . 1 . . . . . . . . 5354 1 565 . 1 1 46 46 GLN NE2 N 15 112.526 0.2 . 1 . . . . . . . . 5354 1 566 . 1 1 46 46 GLN HE22 H 1 7.030 0.05 . 1 . . . . . . . . 5354 1 567 . 1 1 46 46 GLN HE21 H 1 7.219 0.05 . 1 . . . . . . . . 5354 1 568 . 1 1 46 46 GLN C C 13 176.408 0.3 . 1 . . . . . . . . 5354 1 569 . 1 1 47 47 PHE N N 15 116.048 0.2 . 1 . . . . . . . . 5354 1 570 . 1 1 47 47 PHE H H 1 7.548 0.05 . 1 . . . . . . . . 5354 1 571 . 1 1 47 47 PHE CA C 13 58.808 0.3 . 1 . . . . . . . . 5354 1 572 . 1 1 47 47 PHE HA H 1 4.469 0.05 . 1 . . . . . . . . 5354 1 573 . 1 1 47 47 PHE CB C 13 38.748 0.3 . 1 . . . . . . . . 5354 1 574 . 1 1 47 47 PHE HB3 H 1 2.480 0.05 . 2 . . . . . . . . 5354 1 575 . 1 1 47 47 PHE HB2 H 1 3.370 0.05 . 2 . . . . . . . . 5354 1 576 . 1 1 47 47 PHE CD1 C 13 132.198 0.3 . 1 . . . . . . . . 5354 1 577 . 1 1 47 47 PHE HD1 H 1 7.444 0.05 . 1 . . . . . . . . 5354 1 578 . 1 1 47 47 PHE CE1 C 13 130.572 0.3 . 1 . . . . . . . . 5354 1 579 . 1 1 47 47 PHE HE1 H 1 6.974 0.05 . 1 . . . . . . . . 5354 1 580 . 1 1 47 47 PHE CZ C 13 129.273 0.3 . 1 . . . . . . . . 5354 1 581 . 1 1 47 47 PHE HZ H 1 6.655 0.05 . 1 . . . . . . . . 5354 1 582 . 1 1 47 47 PHE CE2 C 13 130.572 0.3 . 1 . . . . . . . . 5354 1 583 . 1 1 47 47 PHE HE2 H 1 6.974 0.05 . 1 . . . . . . . . 5354 1 584 . 1 1 47 47 PHE CD2 C 13 132.198 0.3 . 1 . . . . . . . . 5354 1 585 . 1 1 47 47 PHE HD2 H 1 7.444 0.05 . 1 . . . . . . . . 5354 1 586 . 1 1 47 47 PHE C C 13 173.993 0.3 . 1 . . . . . . . . 5354 1 587 . 1 1 48 48 PHE N N 15 116.376 0.2 . 1 . . . . . . . . 5354 1 588 . 1 1 48 48 PHE H H 1 7.077 0.05 . 1 . . . . . . . . 5354 1 589 . 1 1 48 48 PHE CA C 13 56.628 0.3 . 1 . . . . . . . . 5354 1 590 . 1 1 48 48 PHE HA H 1 4.963 0.05 . 1 . . . . . . . . 5354 1 591 . 1 1 48 48 PHE CB C 13 40.148 0.3 . 1 . . . . . . . . 5354 1 592 . 1 1 48 48 PHE HB3 H 1 2.871 0.05 . 1 . . . . . . . . 5354 1 593 . 1 1 48 48 PHE HB2 H 1 3.139 0.05 . 1 . . . . . . . . 5354 1 594 . 1 1 48 48 PHE CD1 C 13 132.508 0.3 . 1 . . . . . . . . 5354 1 595 . 1 1 48 48 PHE HD1 H 1 7.191 0.05 . 1 . . . . . . . . 5354 1 596 . 1 1 48 48 PHE CE1 C 13 131.087 0.3 . 1 . . . . . . . . 5354 1 597 . 1 1 48 48 PHE HE1 H 1 7.101 0.05 . 1 . . . . . . . . 5354 1 598 . 1 1 48 48 PHE HZ H 1 7.063 0.05 . 1 . . . . . . . . 5354 1 599 . 1 1 48 48 PHE CE2 C 13 131.087 0.3 . 1 . . . . . . . . 5354 1 600 . 1 1 48 48 PHE HE2 H 1 7.101 0.05 . 1 . . . . . . . . 5354 1 601 . 1 1 48 48 PHE CD2 C 13 132.508 0.3 . 1 . . . . . . . . 5354 1 602 . 1 1 48 48 PHE HD2 H 1 7.191 0.05 . 1 . . . . . . . . 5354 1 603 . 1 1 48 48 PHE C C 13 175.942 0.3 . 1 . . . . . . . . 5354 1 604 . 1 1 49 49 LEU N N 15 123.685 0.2 . 1 . . . . . . . . 5354 1 605 . 1 1 49 49 LEU H H 1 8.384 0.05 . 1 . . . . . . . . 5354 1 606 . 1 1 49 49 LEU CA C 13 56.604 0.3 . 1 . . . . . . . . 5354 1 607 . 1 1 49 49 LEU HA H 1 4.281 0.05 . 1 . . . . . . . . 5354 1 608 . 1 1 49 49 LEU CB C 13 42.800 0.3 . 1 . . . . . . . . 5354 1 609 . 1 1 49 49 LEU HB3 H 1 1.460 0.05 . 2 . . . . . . . . 5354 1 610 . 1 1 49 49 LEU HB2 H 1 1.820 0.05 . 2 . . . . . . . . 5354 1 611 . 1 1 49 49 LEU CG C 13 26.552 0.3 . 1 . . . . . . . . 5354 1 612 . 1 1 49 49 LEU HG H 1 1.629 0.05 . 1 . . . . . . . . 5354 1 613 . 1 1 49 49 LEU CD1 C 13 26.659 0.3 . 1 . . . . . . . . 5354 1 614 . 1 1 49 49 LEU HD11 H 1 0.915 0.05 . 2 . . . . . . . . 5354 1 615 . 1 1 49 49 LEU HD12 H 1 0.915 0.05 . 2 . . . . . . . . 5354 1 616 . 1 1 49 49 LEU HD13 H 1 0.915 0.05 . 2 . . . . . . . . 5354 1 617 . 1 1 49 49 LEU CD2 C 13 25.174 0.3 . 1 . . . . . . . . 5354 1 618 . 1 1 49 49 LEU HD21 H 1 0.930 0.05 . 2 . . . . . . . . 5354 1 619 . 1 1 49 49 LEU HD22 H 1 0.930 0.05 . 2 . . . . . . . . 5354 1 620 . 1 1 49 49 LEU HD23 H 1 0.930 0.05 . 2 . . . . . . . . 5354 1 621 . 1 1 50 50 ARG CA C 13 55.290 0.3 . 1 . . . . . . . . 5354 1 622 . 1 1 50 50 ARG HA H 1 4.569 0.05 . 1 . . . . . . . . 5354 1 623 . 1 1 50 50 ARG CB C 13 31.482 0.3 . 1 . . . . . . . . 5354 1 624 . 1 1 50 50 ARG HB3 H 1 1.793 0.05 . 2 . . . . . . . . 5354 1 625 . 1 1 50 50 ARG HB2 H 1 2.012 0.05 . 2 . . . . . . . . 5354 1 626 . 1 1 50 50 ARG CG C 13 27.150 0.3 . 1 . . . . . . . . 5354 1 627 . 1 1 50 50 ARG HG3 H 1 1.632 0.05 . 2 . . . . . . . . 5354 1 628 . 1 1 50 50 ARG HG2 H 1 1.708 0.05 . 2 . . . . . . . . 5354 1 629 . 1 1 50 50 ARG CD C 13 43.167 0.3 . 1 . . . . . . . . 5354 1 630 . 1 1 50 50 ARG HD3 H 1 3.175 0.05 . 2 . . . . . . . . 5354 1 631 . 1 1 50 50 ARG HD2 H 1 3.284 0.05 . 2 . . . . . . . . 5354 1 632 . 1 1 50 50 ARG NE N 15 84.538 0.2 . 1 . . . . . . . . 5354 1 633 . 1 1 50 50 ARG HE H 1 7.713 0.05 . 1 . . . . . . . . 5354 1 634 . 1 1 50 50 ARG C C 13 176.423 0.3 . 1 . . . . . . . . 5354 1 635 . 1 1 51 51 SER N N 15 117.362 0.2 . 1 . . . . . . . . 5354 1 636 . 1 1 51 51 SER H H 1 8.720 0.05 . 1 . . . . . . . . 5354 1 637 . 1 1 51 51 SER CA C 13 58.838 0.3 . 1 . . . . . . . . 5354 1 638 . 1 1 51 51 SER HA H 1 4.431 0.05 . 1 . . . . . . . . 5354 1 639 . 1 1 51 51 SER CB C 13 63.651 0.3 . 1 . . . . . . . . 5354 1 640 . 1 1 51 51 SER HB3 H 1 3.860 0.05 . 2 . . . . . . . . 5354 1 641 . 1 1 51 51 SER HB2 H 1 4.118 0.05 . 2 . . . . . . . . 5354 1 642 . 1 1 51 51 SER C C 13 174.285 0.3 . 1 . . . . . . . . 5354 1 643 . 1 1 52 52 ASP N N 15 121.015 0.2 . 1 . . . . . . . . 5354 1 644 . 1 1 52 52 ASP H H 1 8.382 0.05 . 1 . . . . . . . . 5354 1 645 . 1 1 52 52 ASP CA C 13 54.169 0.3 . 1 . . . . . . . . 5354 1 646 . 1 1 52 52 ASP HA H 1 5.451 0.05 . 1 . . . . . . . . 5354 1 647 . 1 1 52 52 ASP CB C 13 43.462 0.3 . 1 . . . . . . . . 5354 1 648 . 1 1 52 52 ASP HB3 H 1 2.496 0.05 . 2 . . . . . . . . 5354 1 649 . 1 1 52 52 ASP HB2 H 1 2.204 0.05 . 2 . . . . . . . . 5354 1 650 . 1 1 52 52 ASP C C 13 176.494 0.3 . 1 . . . . . . . . 5354 1 651 . 1 1 53 53 SER N N 15 113.786 0.2 . 1 . . . . . . . . 5354 1 652 . 1 1 53 53 SER H H 1 7.650 0.05 . 1 . . . . . . . . 5354 1 653 . 1 1 53 53 SER CA C 13 58.832 0.3 . 1 . . . . . . . . 5354 1 654 . 1 1 53 53 SER HA H 1 4.345 0.05 . 1 . . . . . . . . 5354 1 655 . 1 1 53 53 SER CB C 13 64.585 0.3 . 1 . . . . . . . . 5354 1 656 . 1 1 53 53 SER HB3 H 1 4.004 0.05 . 2 . . . . . . . . 5354 1 657 . 1 1 53 53 SER HB2 H 1 3.885 0.05 . 2 . . . . . . . . 5354 1 658 . 1 1 53 53 SER C C 13 174.797 0.3 . 1 . . . . . . . . 5354 1 659 . 1 1 54 54 ASP N N 15 121.666 0.2 . 1 . . . . . . . . 5354 1 660 . 1 1 54 54 ASP H H 1 8.505 0.05 . 1 . . . . . . . . 5354 1 661 . 1 1 54 54 ASP CA C 13 56.244 0.3 . 1 . . . . . . . . 5354 1 662 . 1 1 54 54 ASP HA H 1 4.415 0.05 . 1 . . . . . . . . 5354 1 663 . 1 1 54 54 ASP CB C 13 39.963 0.3 . 1 . . . . . . . . 5354 1 664 . 1 1 54 54 ASP HB3 H 1 2.773 0.05 . 1 . . . . . . . . 5354 1 665 . 1 1 54 54 ASP HB2 H 1 2.773 0.05 . 1 . . . . . . . . 5354 1 666 . 1 1 54 54 ASP C C 13 178.224 0.3 . 1 . . . . . . . . 5354 1 667 . 1 1 55 55 VAL N N 15 120.139 0.2 . 1 . . . . . . . . 5354 1 668 . 1 1 55 55 VAL H H 1 7.576 0.05 . 1 . . . . . . . . 5354 1 669 . 1 1 55 55 VAL CA C 13 64.974 0.3 . 1 . . . . . . . . 5354 1 670 . 1 1 55 55 VAL HA H 1 3.301 0.05 . 1 . . . . . . . . 5354 1 671 . 1 1 55 55 VAL CB C 13 31.862 0.3 . 1 . . . . . . . . 5354 1 672 . 1 1 55 55 VAL HB H 1 1.741 0.05 . 1 . . . . . . . . 5354 1 673 . 1 1 55 55 VAL CG2 C 13 21.529 0.3 . 1 . . . . . . . . 5354 1 674 . 1 1 55 55 VAL HG21 H 1 0.647 0.05 . 2 . . . . . . . . 5354 1 675 . 1 1 55 55 VAL HG22 H 1 0.647 0.05 . 2 . . . . . . . . 5354 1 676 . 1 1 55 55 VAL HG23 H 1 0.647 0.05 . 2 . . . . . . . . 5354 1 677 . 1 1 55 55 VAL CG1 C 13 20.493 0.3 . 1 . . . . . . . . 5354 1 678 . 1 1 55 55 VAL HG11 H 1 0.480 0.05 . 2 . . . . . . . . 5354 1 679 . 1 1 55 55 VAL HG12 H 1 0.480 0.05 . 2 . . . . . . . . 5354 1 680 . 1 1 55 55 VAL HG13 H 1 0.480 0.05 . 2 . . . . . . . . 5354 1 681 . 1 1 55 55 VAL C C 13 176.087 0.3 . 1 . . . . . . . . 5354 1 682 . 1 1 56 56 VAL N N 15 118.929 0.2 . 1 . . . . . . . . 5354 1 683 . 1 1 56 56 VAL H H 1 7.409 0.05 . 1 . . . . . . . . 5354 1 684 . 1 1 56 56 VAL CA C 13 66.174 0.3 . 1 . . . . . . . . 5354 1 685 . 1 1 56 56 VAL HA H 1 3.415 0.05 . 1 . . . . . . . . 5354 1 686 . 1 1 56 56 VAL CB C 13 31.485 0.3 . 1 . . . . . . . . 5354 1 687 . 1 1 56 56 VAL HB H 1 1.931 0.05 . 1 . . . . . . . . 5354 1 688 . 1 1 56 56 VAL CG2 C 13 22.941 0.3 . 1 . . . . . . . . 5354 1 689 . 1 1 56 56 VAL HG21 H 1 0.779 0.05 . 2 . . . . . . . . 5354 1 690 . 1 1 56 56 VAL HG22 H 1 0.779 0.05 . 2 . . . . . . . . 5354 1 691 . 1 1 56 56 VAL HG23 H 1 0.779 0.05 . 2 . . . . . . . . 5354 1 692 . 1 1 56 56 VAL CG1 C 13 21.676 0.3 . 1 . . . . . . . . 5354 1 693 . 1 1 56 56 VAL HG11 H 1 0.866 0.05 . 2 . . . . . . . . 5354 1 694 . 1 1 56 56 VAL HG12 H 1 0.866 0.05 . 2 . . . . . . . . 5354 1 695 . 1 1 56 56 VAL HG13 H 1 0.866 0.05 . 2 . . . . . . . . 5354 1 696 . 1 1 56 56 VAL C C 13 178.632 0.3 . 1 . . . . . . . . 5354 1 697 . 1 1 57 57 GLU N N 15 121.207 0.2 . 1 . . . . . . . . 5354 1 698 . 1 1 57 57 GLU H H 1 8.118 0.05 . 1 . . . . . . . . 5354 1 699 . 1 1 57 57 GLU CA C 13 59.433 0.3 . 1 . . . . . . . . 5354 1 700 . 1 1 57 57 GLU HA H 1 3.988 0.05 . 1 . . . . . . . . 5354 1 701 . 1 1 57 57 GLU CB C 13 29.353 0.3 . 1 . . . . . . . . 5354 1 702 . 1 1 57 57 GLU HB3 H 1 2.016 0.05 . 1 . . . . . . . . 5354 1 703 . 1 1 57 57 GLU HB2 H 1 2.016 0.05 . 1 . . . . . . . . 5354 1 704 . 1 1 57 57 GLU CG C 13 36.417 0.3 . 1 . . . . . . . . 5354 1 705 . 1 1 57 57 GLU HG3 H 1 2.217 0.05 . 2 . . . . . . . . 5354 1 706 . 1 1 57 57 GLU HG2 H 1 2.352 0.05 . 2 . . . . . . . . 5354 1 707 . 1 1 57 57 GLU C C 13 178.550 0.3 . 1 . . . . . . . . 5354 1 708 . 1 1 58 58 ALA N N 15 121.194 0.2 . 1 . . . . . . . . 5354 1 709 . 1 1 58 58 ALA H H 1 7.733 0.05 . 1 . . . . . . . . 5354 1 710 . 1 1 58 58 ALA CA C 13 54.418 0.3 . 1 . . . . . . . . 5354 1 711 . 1 1 58 58 ALA HA H 1 4.087 0.05 . 1 . . . . . . . . 5354 1 712 . 1 1 58 58 ALA CB C 13 19.049 0.3 . 1 . . . . . . . . 5354 1 713 . 1 1 58 58 ALA HB1 H 1 1.400 0.05 . 1 . . . . . . . . 5354 1 714 . 1 1 58 58 ALA HB2 H 1 1.400 0.05 . 1 . . . . . . . . 5354 1 715 . 1 1 58 58 ALA HB3 H 1 1.400 0.05 . 1 . . . . . . . . 5354 1 716 . 1 1 58 58 ALA C C 13 179.245 0.3 . 1 . . . . . . . . 5354 1 717 . 1 1 59 59 LEU N N 15 116.605 0.2 . 1 . . . . . . . . 5354 1 718 . 1 1 59 59 LEU H H 1 7.658 0.05 . 1 . . . . . . . . 5354 1 719 . 1 1 59 59 LEU CA C 13 56.154 0.3 . 1 . . . . . . . . 5354 1 720 . 1 1 59 59 LEU HA H 1 4.164 0.05 . 1 . . . . . . . . 5354 1 721 . 1 1 59 59 LEU CB C 13 42.121 0.3 . 1 . . . . . . . . 5354 1 722 . 1 1 59 59 LEU HB3 H 1 1.526 0.05 . 2 . . . . . . . . 5354 1 723 . 1 1 59 59 LEU HB2 H 1 1.753 0.05 . 2 . . . . . . . . 5354 1 724 . 1 1 59 59 LEU CG C 13 26.767 0.3 . 1 . . . . . . . . 5354 1 725 . 1 1 59 59 LEU HG H 1 1.764 0.05 . 1 . . . . . . . . 5354 1 726 . 1 1 59 59 LEU CD1 C 13 25.996 0.3 . 1 . . . . . . . . 5354 1 727 . 1 1 59 59 LEU HD11 H 1 0.695 0.05 . 2 . . . . . . . . 5354 1 728 . 1 1 59 59 LEU HD12 H 1 0.695 0.05 . 2 . . . . . . . . 5354 1 729 . 1 1 59 59 LEU HD13 H 1 0.695 0.05 . 2 . . . . . . . . 5354 1 730 . 1 1 59 59 LEU CD2 C 13 23.676 0.3 . 1 . . . . . . . . 5354 1 731 . 1 1 59 59 LEU HD21 H 1 0.758 0.05 . 2 . . . . . . . . 5354 1 732 . 1 1 59 59 LEU HD22 H 1 0.758 0.05 . 2 . . . . . . . . 5354 1 733 . 1 1 59 59 LEU HD23 H 1 0.758 0.05 . 2 . . . . . . . . 5354 1 734 . 1 1 59 59 LEU C C 13 177.093 0.3 . 1 . . . . . . . . 5354 1 735 . 1 1 60 60 SER N N 15 111.949 0.2 . 1 . . . . . . . . 5354 1 736 . 1 1 60 60 SER H H 1 7.530 0.05 . 1 . . . . . . . . 5354 1 737 . 1 1 60 60 SER CA C 13 58.621 0.3 . 1 . . . . . . . . 5354 1 738 . 1 1 60 60 SER HA H 1 4.449 0.05 . 1 . . . . . . . . 5354 1 739 . 1 1 60 60 SER CB C 13 64.464 0.3 . 1 . . . . . . . . 5354 1 740 . 1 1 60 60 SER HB3 H 1 3.919 0.05 . 2 . . . . . . . . 5354 1 741 . 1 1 60 60 SER HB2 H 1 4.006 0.05 . 2 . . . . . . . . 5354 1 742 . 1 1 60 60 SER C C 13 174.584 0.3 . 1 . . . . . . . . 5354 1 743 . 1 1 61 61 GLU N N 15 122.446 0.2 . 1 . . . . . . . . 5354 1 744 . 1 1 61 61 GLU H H 1 7.761 0.05 . 1 . . . . . . . . 5354 1 745 . 1 1 61 61 GLU CA C 13 57.294 0.3 . 1 . . . . . . . . 5354 1 746 . 1 1 61 61 GLU HA H 1 4.193 0.05 . 1 . . . . . . . . 5354 1 747 . 1 1 61 61 GLU CB C 13 30.485 0.3 . 1 . . . . . . . . 5354 1 748 . 1 1 61 61 GLU HB3 H 1 2.005 0.05 . 1 . . . . . . . . 5354 1 749 . 1 1 61 61 GLU HB2 H 1 2.005 0.05 . 1 . . . . . . . . 5354 1 750 . 1 1 61 61 GLU CG C 13 36.201 0.3 . 1 . . . . . . . . 5354 1 751 . 1 1 61 61 GLU HG3 H 1 2.263 0.05 . 2 . . . . . . . . 5354 1 752 . 1 1 61 61 GLU HG2 H 1 2.336 0.05 . 2 . . . . . . . . 5354 1 753 . 1 1 61 61 GLU C C 13 176.532 0.3 . 1 . . . . . . . . 5354 1 754 . 1 1 62 62 GLU N N 15 121.749 0.2 . 1 . . . . . . . . 5354 1 755 . 1 1 62 62 GLU H H 1 8.455 0.05 . 1 . . . . . . . . 5354 1 756 . 1 1 62 62 GLU CA C 13 57.342 0.3 . 1 . . . . . . . . 5354 1 757 . 1 1 62 62 GLU HA H 1 4.154 0.05 . 1 . . . . . . . . 5354 1 758 . 1 1 62 62 GLU CB C 13 30.246 0.3 . 1 . . . . . . . . 5354 1 759 . 1 1 62 62 GLU HB3 H 1 1.971 0.05 . 2 . . . . . . . . 5354 1 760 . 1 1 62 62 GLU HB2 H 1 2.107 0.05 . 2 . . . . . . . . 5354 1 761 . 1 1 62 62 GLU CG C 13 36.440 0.3 . 1 . . . . . . . . 5354 1 762 . 1 1 62 62 GLU HG3 H 1 2.155 0.05 . 1 . . . . . . . . 5354 1 763 . 1 1 62 62 GLU HG2 H 1 2.155 0.05 . 1 . . . . . . . . 5354 1 764 . 1 1 62 62 GLU C C 13 176.532 0.3 . 1 . . . . . . . . 5354 1 765 . 1 1 63 63 HIS N N 15 119.583 0.2 . 1 . . . . . . . . 5354 1 766 . 1 1 63 63 HIS H H 1 8.358 0.05 . 1 . . . . . . . . 5354 1 767 . 1 1 63 63 HIS CA C 13 55.719 0.3 . 1 . . . . . . . . 5354 1 768 . 1 1 63 63 HIS HA H 1 4.690 0.05 . 1 . . . . . . . . 5354 1 769 . 1 1 63 63 HIS CB C 13 29.886 0.3 . 1 . . . . . . . . 5354 1 770 . 1 1 63 63 HIS HB3 H 1 3.085 0.05 . 2 . . . . . . . . 5354 1 771 . 1 1 63 63 HIS HB2 H 1 3.250 0.05 . 2 . . . . . . . . 5354 1 772 . 1 1 63 63 HIS CD2 C 13 120.066 0.3 . 1 . . . . . . . . 5354 1 773 . 1 1 63 63 HIS HD2 H 1 7.148 0.05 . 4 . . . . . . . . 5354 1 774 . 1 1 63 63 HIS CE1 C 13 137.186 0.3 . 1 . . . . . . . . 5354 1 775 . 1 1 63 63 HIS HE1 H 1 8.219 0.05 . 4 . . . . . . . . 5354 1 776 . 1 1 63 63 HIS C C 13 174.784 0.3 . 1 . . . . . . . . 5354 1 777 . 1 1 64 64 MET N N 15 121.286 0.2 . 1 . . . . . . . . 5354 1 778 . 1 1 64 64 MET H H 1 8.335 0.05 . 1 . . . . . . . . 5354 1 779 . 1 1 64 64 MET CA C 13 55.921 0.3 . 1 . . . . . . . . 5354 1 780 . 1 1 64 64 MET HA H 1 4.428 0.05 . 1 . . . . . . . . 5354 1 781 . 1 1 64 64 MET CB C 13 32.883 0.3 . 1 . . . . . . . . 5354 1 782 . 1 1 64 64 MET HB3 H 1 2.006 0.05 . 1 . . . . . . . . 5354 1 783 . 1 1 64 64 MET HB2 H 1 2.006 0.05 . 1 . . . . . . . . 5354 1 784 . 1 1 64 64 MET CG C 13 32.248 0.3 . 1 . . . . . . . . 5354 1 785 . 1 1 64 64 MET HG3 H 1 2.540 0.05 . 1 . . . . . . . . 5354 1 786 . 1 1 64 64 MET HG2 H 1 2.540 0.05 . 1 . . . . . . . . 5354 1 787 . 1 1 64 64 MET CE C 13 17.557 0.3 . 1 . . . . . . . . 5354 1 788 . 1 1 64 64 MET HE1 H 1 2.064 0.05 . 1 . . . . . . . . 5354 1 789 . 1 1 64 64 MET HE2 H 1 2.064 0.05 . 1 . . . . . . . . 5354 1 790 . 1 1 64 64 MET HE3 H 1 2.064 0.05 . 1 . . . . . . . . 5354 1 791 . 1 1 64 64 MET C C 13 176.255 0.3 . 1 . . . . . . . . 5354 1 792 . 1 1 65 65 GLU N N 15 121.578 0.2 . 1 . . . . . . . . 5354 1 793 . 1 1 65 65 GLU H H 1 8.579 0.05 . 1 . . . . . . . . 5354 1 794 . 1 1 65 65 GLU CA C 13 56.818 0.3 . 1 . . . . . . . . 5354 1 795 . 1 1 65 65 GLU HA H 1 4.300 0.05 . 1 . . . . . . . . 5354 1 796 . 1 1 65 65 GLU CB C 13 30.168 0.3 . 1 . . . . . . . . 5354 1 797 . 1 1 65 65 GLU HB3 H 1 1.962 0.05 . 2 . . . . . . . . 5354 1 798 . 1 1 65 65 GLU HB2 H 1 2.096 0.05 . 2 . . . . . . . . 5354 1 799 . 1 1 65 65 GLU CG C 13 36.253 0.3 . 1 . . . . . . . . 5354 1 800 . 1 1 65 65 GLU HG3 H 1 2.305 0.05 . 1 . . . . . . . . 5354 1 801 . 1 1 65 65 GLU HG2 H 1 2.305 0.05 . 1 . . . . . . . . 5354 1 802 . 1 1 65 65 GLU C C 13 176.533 0.3 . 1 . . . . . . . . 5354 1 803 . 1 1 66 66 ALA N N 15 124.327 0.2 . 1 . . . . . . . . 5354 1 804 . 1 1 66 66 ALA H H 1 8.332 0.05 . 1 . . . . . . . . 5354 1 805 . 1 1 66 66 ALA CA C 13 53.025 0.3 . 1 . . . . . . . . 5354 1 806 . 1 1 66 66 ALA HA H 1 4.291 0.05 . 1 . . . . . . . . 5354 1 807 . 1 1 66 66 ALA CB C 13 19.268 0.3 . 1 . . . . . . . . 5354 1 808 . 1 1 66 66 ALA HB1 H 1 1.402 0.05 . 1 . . . . . . . . 5354 1 809 . 1 1 66 66 ALA HB2 H 1 1.402 0.05 . 1 . . . . . . . . 5354 1 810 . 1 1 66 66 ALA HB3 H 1 1.402 0.05 . 1 . . . . . . . . 5354 1 811 . 1 1 66 66 ALA C C 13 177.447 0.3 . 1 . . . . . . . . 5354 1 812 . 1 1 67 67 ASP N N 15 118.512 0.2 . 1 . . . . . . . . 5354 1 813 . 1 1 67 67 ASP H H 1 8.240 0.05 . 1 . . . . . . . . 5354 1 814 . 1 1 67 67 ASP CA C 13 54.524 0.3 . 1 . . . . . . . . 5354 1 815 . 1 1 67 67 ASP HA H 1 4.557 0.05 . 1 . . . . . . . . 5354 1 816 . 1 1 67 67 ASP CB C 13 41.138 0.3 . 1 . . . . . . . . 5354 1 817 . 1 1 67 67 ASP HB3 H 1 2.723 0.05 . 1 . . . . . . . . 5354 1 818 . 1 1 67 67 ASP HB2 H 1 2.723 0.05 . 1 . . . . . . . . 5354 1 819 . 1 1 67 67 ASP C C 13 176.946 0.3 . 1 . . . . . . . . 5354 1 820 . 1 1 68 68 GLY N N 15 108.677 0.2 . 1 . . . . . . . . 5354 1 821 . 1 1 68 68 GLY H H 1 8.306 0.05 . 1 . . . . . . . . 5354 1 822 . 1 1 68 68 GLY CA C 13 45.741 0.3 . 1 . . . . . . . . 5354 1 823 . 1 1 68 68 GLY HA3 H 1 3.949 0.05 . 2 . . . . . . . . 5354 1 824 . 1 1 68 68 GLY HA2 H 1 3.847 0.05 . 2 . . . . . . . . 5354 1 825 . 1 1 68 68 GLY C C 13 174.360 0.3 . 1 . . . . . . . . 5354 1 826 . 1 1 69 69 HIS N N 15 118.653 0.2 . 1 . . . . . . . . 5354 1 827 . 1 1 69 69 HIS H H 1 8.212 0.05 . 1 . . . . . . . . 5354 1 828 . 1 1 69 69 HIS CA C 13 56.047 0.3 . 1 . . . . . . . . 5354 1 829 . 1 1 69 69 HIS HA H 1 4.680 0.05 . 1 . . . . . . . . 5354 1 830 . 1 1 69 69 HIS CB C 13 30.096 0.3 . 1 . . . . . . . . 5354 1 831 . 1 1 69 69 HIS HB3 H 1 3.175 0.05 . 2 . . . . . . . . 5354 1 832 . 1 1 69 69 HIS HB2 H 1 3.253 0.05 . 2 . . . . . . . . 5354 1 833 . 1 1 69 69 HIS CD2 C 13 120.245 0.3 . 1 . . . . . . . . 5354 1 834 . 1 1 69 69 HIS HD2 H 1 7.111 0.05 . 4 . . . . . . . . 5354 1 835 . 1 1 69 69 HIS CE1 C 13 137.384 0.3 . 1 . . . . . . . . 5354 1 836 . 1 1 69 69 HIS HE1 H 1 8.103 0.05 . 4 . . . . . . . . 5354 1 837 . 1 1 69 69 HIS C C 13 174.627 0.3 . 1 . . . . . . . . 5354 1 838 . 1 1 70 70 ALA N N 15 124.218 0.2 . 1 . . . . . . . . 5354 1 839 . 1 1 70 70 ALA H H 1 8.245 0.05 . 1 . . . . . . . . 5354 1 840 . 1 1 70 70 ALA CA C 13 52.467 0.3 . 1 . . . . . . . . 5354 1 841 . 1 1 70 70 ALA HA H 1 4.402 0.05 . 1 . . . . . . . . 5354 1 842 . 1 1 70 70 ALA CB C 13 19.693 0.3 . 1 . . . . . . . . 5354 1 843 . 1 1 70 70 ALA HB1 H 1 1.401 0.05 . 1 . . . . . . . . 5354 1 844 . 1 1 70 70 ALA HB2 H 1 1.401 0.05 . 1 . . . . . . . . 5354 1 845 . 1 1 70 70 ALA HB3 H 1 1.401 0.05 . 1 . . . . . . . . 5354 1 846 . 1 1 70 70 ALA C C 13 177.074 0.3 . 1 . . . . . . . . 5354 1 847 . 1 1 71 71 ALA N N 15 123.104 0.2 . 1 . . . . . . . . 5354 1 848 . 1 1 71 71 ALA H H 1 8.370 0.05 . 1 . . . . . . . . 5354 1 849 . 1 1 71 71 ALA CA C 13 52.181 0.3 . 1 . . . . . . . . 5354 1 850 . 1 1 71 71 ALA HA H 1 4.498 0.05 . 1 . . . . . . . . 5354 1 851 . 1 1 71 71 ALA CB C 13 19.948 0.3 . 1 . . . . . . . . 5354 1 852 . 1 1 71 71 ALA HB1 H 1 1.276 0.05 . 1 . . . . . . . . 5354 1 853 . 1 1 71 71 ALA HB2 H 1 1.276 0.05 . 1 . . . . . . . . 5354 1 854 . 1 1 71 71 ALA HB3 H 1 1.276 0.05 . 1 . . . . . . . . 5354 1 855 . 1 1 71 71 ALA C C 13 177.074 0.3 . 1 . . . . . . . . 5354 1 856 . 1 1 72 72 VAL N N 15 120.441 0.2 . 1 . . . . . . . . 5354 1 857 . 1 1 72 72 VAL H H 1 8.439 0.05 . 1 . . . . . . . . 5354 1 858 . 1 1 72 72 VAL CA C 13 62.027 0.3 . 1 . . . . . . . . 5354 1 859 . 1 1 72 72 VAL HA H 1 4.122 0.05 . 1 . . . . . . . . 5354 1 860 . 1 1 72 72 VAL CB C 13 33.461 0.3 . 1 . . . . . . . . 5354 1 861 . 1 1 72 72 VAL HB H 1 1.865 0.05 . 1 . . . . . . . . 5354 1 862 . 1 1 72 72 VAL CG2 C 13 20.799 0.3 . 1 . . . . . . . . 5354 1 863 . 1 1 72 72 VAL HG21 H 1 0.819 0.05 . 4 . . . . . . . . 5354 1 864 . 1 1 72 72 VAL HG22 H 1 0.819 0.05 . 4 . . . . . . . . 5354 1 865 . 1 1 72 72 VAL HG23 H 1 0.819 0.05 . 4 . . . . . . . . 5354 1 866 . 1 1 72 72 VAL CG1 C 13 21.367 0.3 . 1 . . . . . . . . 5354 1 867 . 1 1 72 72 VAL HG11 H 1 0.647 0.05 . 2 . . . . . . . . 5354 1 868 . 1 1 72 72 VAL HG12 H 1 0.647 0.05 . 2 . . . . . . . . 5354 1 869 . 1 1 72 72 VAL HG13 H 1 0.647 0.05 . 2 . . . . . . . . 5354 1 870 . 1 1 72 72 VAL C C 13 175.055 0.3 . 1 . . . . . . . . 5354 1 871 . 1 1 73 73 VAL N N 15 124.288 0.2 . 1 . . . . . . . . 5354 1 872 . 1 1 73 73 VAL H H 1 8.109 0.05 . 1 . . . . . . . . 5354 1 873 . 1 1 73 73 VAL CA C 13 61.448 0.3 . 1 . . . . . . . . 5354 1 874 . 1 1 73 73 VAL HA H 1 5.049 0.05 . 1 . . . . . . . . 5354 1 875 . 1 1 73 73 VAL CB C 13 33.366 0.3 . 1 . . . . . . . . 5354 1 876 . 1 1 73 73 VAL HB H 1 1.749 0.05 . 1 . . . . . . . . 5354 1 877 . 1 1 73 73 VAL CG2 C 13 21.122 0.3 . 1 . . . . . . . . 5354 1 878 . 1 1 73 73 VAL HG21 H 1 0.705 0.05 . 2 . . . . . . . . 5354 1 879 . 1 1 73 73 VAL HG22 H 1 0.705 0.05 . 2 . . . . . . . . 5354 1 880 . 1 1 73 73 VAL HG23 H 1 0.705 0.05 . 2 . . . . . . . . 5354 1 881 . 1 1 73 73 VAL CG1 C 13 20.617 0.3 . 1 . . . . . . . . 5354 1 882 . 1 1 73 73 VAL HG11 H 1 0.787 0.05 . 2 . . . . . . . . 5354 1 883 . 1 1 73 73 VAL HG12 H 1 0.787 0.05 . 2 . . . . . . . . 5354 1 884 . 1 1 73 73 VAL HG13 H 1 0.787 0.05 . 2 . . . . . . . . 5354 1 885 . 1 1 74 74 PHE CD1 C 13 131.760 0.3 . 1 . . . . . . . . 5354 1 886 . 1 1 74 74 PHE HD1 H 1 7.174 0.05 . 1 . . . . . . . . 5354 1 887 . 1 1 74 74 PHE CE1 C 13 130.090 0.3 . 1 . . . . . . . . 5354 1 888 . 1 1 74 74 PHE HE1 H 1 6.826 0.05 . 1 . . . . . . . . 5354 1 889 . 1 1 74 74 PHE CZ C 13 127.403 0.3 . 1 . . . . . . . . 5354 1 890 . 1 1 74 74 PHE HZ H 1 6.729 0.05 . 1 . . . . . . . . 5354 1 891 . 1 1 74 74 PHE CE2 C 13 130.090 0.3 . 1 . . . . . . . . 5354 1 892 . 1 1 74 74 PHE HE2 H 1 6.826 0.05 . 1 . . . . . . . . 5354 1 893 . 1 1 74 74 PHE CD2 C 13 131.760 0.3 . 1 . . . . . . . . 5354 1 894 . 1 1 74 74 PHE HD2 H 1 7.174 0.05 . 1 . . . . . . . . 5354 1 895 . 1 1 75 75 GLY N N 15 108.677 0.2 . 1 . . . . . . . . 5354 1 896 . 1 1 75 75 GLY H H 1 8.306 0.05 . 1 . . . . . . . . 5354 1 897 . 1 1 75 75 GLY CA C 13 45.766 0.3 . 1 . . . . . . . . 5354 1 898 . 1 1 75 75 GLY HA3 H 1 3.859 0.05 . 2 . . . . . . . . 5354 1 899 . 1 1 75 75 GLY HA2 H 1 3.798 0.05 . 2 . . . . . . . . 5354 1 900 . 1 1 75 75 GLY C C 13 173.649 0.3 . 1 . . . . . . . . 5354 1 901 . 1 1 76 76 THR N N 15 114.643 0.2 . 1 . . . . . . . . 5354 1 902 . 1 1 76 76 THR H H 1 7.515 0.05 . 1 . . . . . . . . 5354 1 903 . 1 1 76 76 THR CA C 13 61.545 0.3 . 1 . . . . . . . . 5354 1 904 . 1 1 76 76 THR HA H 1 4.408 0.05 . 1 . . . . . . . . 5354 1 905 . 1 1 76 76 THR CB C 13 70.109 0.3 . 1 . . . . . . . . 5354 1 906 . 1 1 76 76 THR HB H 1 4.095 0.05 . 1 . . . . . . . . 5354 1 907 . 1 1 76 76 THR CG2 C 13 21.164 0.3 . 1 . . . . . . . . 5354 1 908 . 1 1 76 76 THR HG21 H 1 1.173 0.05 . 1 . . . . . . . . 5354 1 909 . 1 1 76 76 THR HG22 H 1 1.173 0.05 . 1 . . . . . . . . 5354 1 910 . 1 1 76 76 THR HG23 H 1 1.173 0.05 . 1 . . . . . . . . 5354 1 911 . 1 1 76 76 THR C C 13 173.332 0.3 . 1 . . . . . . . . 5354 1 912 . 1 1 77 77 VAL N N 15 125.487 0.2 . 1 . . . . . . . . 5354 1 913 . 1 1 77 77 VAL H H 1 8.227 0.05 . 1 . . . . . . . . 5354 1 914 . 1 1 77 77 VAL CA C 13 62.571 0.3 . 1 . . . . . . . . 5354 1 915 . 1 1 77 77 VAL HA H 1 4.606 0.05 . 1 . . . . . . . . 5354 1 916 . 1 1 77 77 VAL CB C 13 32.960 0.3 . 1 . . . . . . . . 5354 1 917 . 1 1 77 77 VAL HB H 1 1.923 0.05 . 1 . . . . . . . . 5354 1 918 . 1 1 77 77 VAL CG2 C 13 21.676 0.3 . 1 . . . . . . . . 5354 1 919 . 1 1 77 77 VAL HG21 H 1 0.966 0.05 . 2 . . . . . . . . 5354 1 920 . 1 1 77 77 VAL HG22 H 1 0.966 0.05 . 2 . . . . . . . . 5354 1 921 . 1 1 77 77 VAL HG23 H 1 0.966 0.05 . 2 . . . . . . . . 5354 1 922 . 1 1 77 77 VAL CG1 C 13 21.620 0.3 . 1 . . . . . . . . 5354 1 923 . 1 1 77 77 VAL HG11 H 1 0.871 0.05 . 2 . . . . . . . . 5354 1 924 . 1 1 77 77 VAL HG12 H 1 0.871 0.05 . 2 . . . . . . . . 5354 1 925 . 1 1 77 77 VAL HG13 H 1 0.871 0.05 . 2 . . . . . . . . 5354 1 926 . 1 1 77 77 VAL C C 13 176.169 0.3 . 1 . . . . . . . . 5354 1 927 . 1 1 78 78 VAL N N 15 121.533 0.2 . 1 . . . . . . . . 5354 1 928 . 1 1 78 78 VAL H H 1 8.720 0.05 . 1 . . . . . . . . 5354 1 929 . 1 1 78 78 VAL CA C 13 59.081 0.3 . 1 . . . . . . . . 5354 1 930 . 1 1 78 78 VAL HA H 1 4.645 0.05 . 1 . . . . . . . . 5354 1 931 . 1 1 78 78 VAL CB C 13 35.499 0.3 . 1 . . . . . . . . 5354 1 932 . 1 1 78 78 VAL HB H 1 2.092 0.05 . 1 . . . . . . . . 5354 1 933 . 1 1 78 78 VAL CG2 C 13 19.817 0.3 . 1 . . . . . . . . 5354 1 934 . 1 1 78 78 VAL HG21 H 1 0.704 0.05 . 4 . . . . . . . . 5354 1 935 . 1 1 78 78 VAL HG22 H 1 0.704 0.05 . 4 . . . . . . . . 5354 1 936 . 1 1 78 78 VAL HG23 H 1 0.704 0.05 . 4 . . . . . . . . 5354 1 937 . 1 1 78 78 VAL CG1 C 13 21.628 0.3 . 1 . . . . . . . . 5354 1 938 . 1 1 78 78 VAL HG11 H 1 0.730 0.05 . 2 . . . . . . . . 5354 1 939 . 1 1 78 78 VAL HG12 H 1 0.730 0.05 . 2 . . . . . . . . 5354 1 940 . 1 1 78 78 VAL HG13 H 1 0.730 0.05 . 2 . . . . . . . . 5354 1 941 . 1 1 78 78 VAL C C 13 173.383 0.3 . 1 . . . . . . . . 5354 1 942 . 1 1 79 79 ASP N N 15 119.621 0.2 . 1 . . . . . . . . 5354 1 943 . 1 1 79 79 ASP H H 1 8.071 0.05 . 1 . . . . . . . . 5354 1 944 . 1 1 79 79 ASP CA C 13 54.233 0.3 . 1 . . . . . . . . 5354 1 945 . 1 1 79 79 ASP HA H 1 5.448 0.05 . 1 . . . . . . . . 5354 1 946 . 1 1 79 79 ASP CB C 13 43.387 0.3 . 1 . . . . . . . . 5354 1 947 . 1 1 79 79 ASP HB3 H 1 2.204 0.05 . 2 . . . . . . . . 5354 1 948 . 1 1 79 79 ASP HB2 H 1 2.496 0.05 . 2 . . . . . . . . 5354 1 949 . 1 1 79 79 ASP C C 13 176.888 0.3 . 1 . . . . . . . . 5354 1 950 . 1 1 80 80 ILE N N 15 120.647 0.2 . 1 . . . . . . . . 5354 1 951 . 1 1 80 80 ILE H H 1 8.778 0.05 . 1 . . . . . . . . 5354 1 952 . 1 1 80 80 ILE CA C 13 58.672 0.3 . 1 . . . . . . . . 5354 1 953 . 1 1 80 80 ILE HA H 1 5.099 0.05 . 1 . . . . . . . . 5354 1 954 . 1 1 80 80 ILE CB C 13 40.927 0.3 . 1 . . . . . . . . 5354 1 955 . 1 1 80 80 ILE HB H 1 1.755 0.05 . 1 . . . . . . . . 5354 1 956 . 1 1 80 80 ILE CG1 C 13 27.307 0.3 . 1 . . . . . . . . 5354 1 957 . 1 1 80 80 ILE HG13 H 1 1.277 0.05 . 4 . . . . . . . . 5354 1 958 . 1 1 80 80 ILE HG12 H 1 1.325 0.05 . 2 . . . . . . . . 5354 1 959 . 1 1 80 80 ILE CD1 C 13 14.156 0.3 . 1 . . . . . . . . 5354 1 960 . 1 1 80 80 ILE HD11 H 1 0.559 0.05 . 1 . . . . . . . . 5354 1 961 . 1 1 80 80 ILE HD12 H 1 0.559 0.05 . 1 . . . . . . . . 5354 1 962 . 1 1 80 80 ILE HD13 H 1 0.559 0.05 . 1 . . . . . . . . 5354 1 963 . 1 1 80 80 ILE CG2 C 13 17.858 0.3 . 1 . . . . . . . . 5354 1 964 . 1 1 80 80 ILE HG21 H 1 0.564 0.05 . 1 . . . . . . . . 5354 1 965 . 1 1 80 80 ILE HG22 H 1 0.564 0.05 . 1 . . . . . . . . 5354 1 966 . 1 1 80 80 ILE HG23 H 1 0.564 0.05 . 1 . . . . . . . . 5354 1 967 . 1 1 80 80 ILE C C 13 174.387 0.3 . 1 . . . . . . . . 5354 1 968 . 1 1 81 81 ILE N N 15 121.683 0.2 . 1 . . . . . . . . 5354 1 969 . 1 1 81 81 ILE H H 1 8.416 0.05 . 1 . . . . . . . . 5354 1 970 . 1 1 81 81 ILE CA C 13 58.509 0.3 . 1 . . . . . . . . 5354 1 971 . 1 1 81 81 ILE HA H 1 5.085 0.05 . 1 . . . . . . . . 5354 1 972 . 1 1 81 81 ILE CB C 13 39.600 0.3 . 1 . . . . . . . . 5354 1 973 . 1 1 81 81 ILE HB H 1 1.763 0.05 . 1 . . . . . . . . 5354 1 974 . 1 1 81 81 ILE CG1 C 13 27.307 0.3 . 1 . . . . . . . . 5354 1 975 . 1 1 81 81 ILE HG13 H 1 1.140 0.05 . 4 . . . . . . . . 5354 1 976 . 1 1 81 81 ILE HG12 H 1 1.444 0.05 . 4 . . . . . . . . 5354 1 977 . 1 1 81 81 ILE CD1 C 13 13.056 0.3 . 1 . . . . . . . . 5354 1 978 . 1 1 81 81 ILE HD11 H 1 0.820 0.05 . 1 . . . . . . . . 5354 1 979 . 1 1 81 81 ILE HD12 H 1 0.820 0.05 . 1 . . . . . . . . 5354 1 980 . 1 1 81 81 ILE HD13 H 1 0.820 0.05 . 1 . . . . . . . . 5354 1 981 . 1 1 81 81 ILE CG2 C 13 17.040 0.3 . 1 . . . . . . . . 5354 1 982 . 1 1 81 81 ILE HG21 H 1 0.984 0.05 . 1 . . . . . . . . 5354 1 983 . 1 1 81 81 ILE HG22 H 1 0.984 0.05 . 1 . . . . . . . . 5354 1 984 . 1 1 81 81 ILE HG23 H 1 0.984 0.05 . 1 . . . . . . . . 5354 1 985 . 1 1 81 81 ILE C C 13 176.042 0.3 . 1 . . . . . . . . 5354 1 986 . 1 1 82 82 SER N N 15 121.067 0.2 . 1 . . . . . . . . 5354 1 987 . 1 1 82 82 SER H H 1 8.630 0.05 . 1 . . . . . . . . 5354 1 988 . 1 1 82 82 SER CA C 13 57.216 0.3 . 1 . . . . . . . . 5354 1 989 . 1 1 82 82 SER HA H 1 4.794 0.05 . 1 . . . . . . . . 5354 1 990 . 1 1 82 82 SER CB C 13 66.018 0.3 . 1 . . . . . . . . 5354 1 991 . 1 1 82 82 SER HB3 H 1 3.967 0.05 . 2 . . . . . . . . 5354 1 992 . 1 1 82 82 SER HB2 H 1 4.307 0.05 . 2 . . . . . . . . 5354 1 993 . 1 1 82 82 SER C C 13 176.768 0.3 . 1 . . . . . . . . 5354 1 994 . 1 1 83 83 ARG N N 15 122.730 0.2 . 1 . . . . . . . . 5354 1 995 . 1 1 83 83 ARG H H 1 8.953 0.05 . 1 . . . . . . . . 5354 1 996 . 1 1 83 83 ARG CA C 13 59.577 0.3 . 1 . . . . . . . . 5354 1 997 . 1 1 83 83 ARG HA H 1 4.105 0.05 . 1 . . . . . . . . 5354 1 998 . 1 1 83 83 ARG CB C 13 30.618 0.3 . 1 . . . . . . . . 5354 1 999 . 1 1 83 83 ARG HB3 H 1 1.401 0.05 . 2 . . . . . . . . 5354 1 1000 . 1 1 83 83 ARG HB2 H 1 1.665 0.05 . 2 . . . . . . . . 5354 1 1001 . 1 1 83 83 ARG CG C 13 26.868 0.3 . 1 . . . . . . . . 5354 1 1002 . 1 1 83 83 ARG HG3 H 1 1.448 0.05 . 2 . . . . . . . . 5354 1 1003 . 1 1 83 83 ARG HG2 H 1 1.588 0.05 . 2 . . . . . . . . 5354 1 1004 . 1 1 83 83 ARG CD C 13 43.435 0.3 . 1 . . . . . . . . 5354 1 1005 . 1 1 83 83 ARG HD3 H 1 3.133 0.05 . 2 . . . . . . . . 5354 1 1006 . 1 1 83 83 ARG HD2 H 1 2.729 0.05 . 2 . . . . . . . . 5354 1 1007 . 1 1 83 83 ARG NE N 15 84.974 0.2 . 1 . . . . . . . . 5354 1 1008 . 1 1 83 83 ARG HE H 1 7.056 0.05 . 1 . . . . . . . . 5354 1 1009 . 1 1 83 83 ARG C C 13 177.824 0.3 . 1 . . . . . . . . 5354 1 1010 . 1 1 84 84 SER N N 15 109.977 0.2 . 1 . . . . . . . . 5354 1 1011 . 1 1 84 84 SER H H 1 8.077 0.05 . 1 . . . . . . . . 5354 1 1012 . 1 1 84 84 SER CA C 13 58.573 0.3 . 1 . . . . . . . . 5354 1 1013 . 1 1 84 84 SER HA H 1 4.381 0.05 . 1 . . . . . . . . 5354 1 1014 . 1 1 84 84 SER CB C 13 63.488 0.3 . 1 . . . . . . . . 5354 1 1015 . 1 1 84 84 SER HB3 H 1 3.860 0.05 . 2 . . . . . . . . 5354 1 1016 . 1 1 84 84 SER HB2 H 1 4.118 0.05 . 2 . . . . . . . . 5354 1 1017 . 1 1 84 84 SER C C 13 175.184 0.3 . 1 . . . . . . . . 5354 1 1018 . 1 1 85 85 GLY N N 15 111.427 0.2 . 1 . . . . . . . . 5354 1 1019 . 1 1 85 85 GLY H H 1 8.323 0.05 . 1 . . . . . . . . 5354 1 1020 . 1 1 85 85 GLY CA C 13 45.123 0.3 . 1 . . . . . . . . 5354 1 1021 . 1 1 85 85 GLY HA3 H 1 3.568 0.05 . 2 . . . . . . . . 5354 1 1022 . 1 1 85 85 GLY HA2 H 1 4.325 0.05 . 2 . . . . . . . . 5354 1 1023 . 1 1 85 85 GLY C C 13 174.013 0.3 . 1 . . . . . . . . 5354 1 1024 . 1 1 86 86 GLU N N 15 121.562 0.2 . 1 . . . . . . . . 5354 1 1025 . 1 1 86 86 GLU H H 1 7.517 0.05 . 1 . . . . . . . . 5354 1 1026 . 1 1 86 86 GLU CA C 13 56.462 0.3 . 1 . . . . . . . . 5354 1 1027 . 1 1 86 86 GLU HA H 1 4.159 0.05 . 1 . . . . . . . . 5354 1 1028 . 1 1 86 86 GLU CB C 13 30.409 0.3 . 1 . . . . . . . . 5354 1 1029 . 1 1 86 86 GLU HB3 H 1 2.073 0.05 . 1 . . . . . . . . 5354 1 1030 . 1 1 86 86 GLU HB2 H 1 1.955 0.05 . 1 . . . . . . . . 5354 1 1031 . 1 1 86 86 GLU CG C 13 36.400 0.3 . 1 . . . . . . . . 5354 1 1032 . 1 1 86 86 GLU HG3 H 1 2.259 0.05 . 2 . . . . . . . . 5354 1 1033 . 1 1 86 86 GLU HG2 H 1 2.315 0.05 . 2 . . . . . . . . 5354 1 1034 . 1 1 86 86 GLU C C 13 174.950 0.3 . 1 . . . . . . . . 5354 1 1035 . 1 1 87 87 LYS N N 15 124.411 0.2 . 1 . . . . . . . . 5354 1 1036 . 1 1 87 87 LYS H H 1 8.446 0.05 . 1 . . . . . . . . 5354 1 1037 . 1 1 87 87 LYS CA C 13 55.554 0.3 . 1 . . . . . . . . 5354 1 1038 . 1 1 87 87 LYS HA H 1 5.078 0.05 . 1 . . . . . . . . 5354 1 1039 . 1 1 87 87 LYS CB C 13 32.810 0.3 . 1 . . . . . . . . 5354 1 1040 . 1 1 87 87 LYS HB3 H 1 1.675 0.05 . 2 . . . . . . . . 5354 1 1041 . 1 1 87 87 LYS HB2 H 1 1.739 0.05 . 2 . . . . . . . . 5354 1 1042 . 1 1 87 87 LYS CG C 13 25.321 0.3 . 1 . . . . . . . . 5354 1 1043 . 1 1 87 87 LYS HG3 H 1 1.289 0.05 . 2 . . . . . . . . 5354 1 1044 . 1 1 87 87 LYS HG2 H 1 1.471 0.05 . 2 . . . . . . . . 5354 1 1045 . 1 1 87 87 LYS CD C 13 29.323 0.3 . 1 . . . . . . . . 5354 1 1046 . 1 1 87 87 LYS HD3 H 1 1.689 0.05 . 1 . . . . . . . . 5354 1 1047 . 1 1 87 87 LYS HD2 H 1 1.689 0.05 . 1 . . . . . . . . 5354 1 1048 . 1 1 87 87 LYS CE C 13 41.951 0.3 . 1 . . . . . . . . 5354 1 1049 . 1 1 87 87 LYS HE3 H 1 2.982 0.05 . 1 . . . . . . . . 5354 1 1050 . 1 1 87 87 LYS HE2 H 1 2.982 0.05 . 1 . . . . . . . . 5354 1 1051 . 1 1 87 87 LYS C C 13 176.632 0.3 . 1 . . . . . . . . 5354 1 1052 . 1 1 88 88 ILE N N 15 128.155 0.2 . 1 . . . . . . . . 5354 1 1053 . 1 1 88 88 ILE H H 1 9.340 0.05 . 1 . . . . . . . . 5354 1 1054 . 1 1 88 88 ILE CA C 13 58.410 0.3 . 1 . . . . . . . . 5354 1 1055 . 1 1 88 88 ILE HA H 1 4.626 0.05 . 1 . . . . . . . . 5354 1 1056 . 1 1 88 88 ILE CB C 13 41.043 0.3 . 1 . . . . . . . . 5354 1 1057 . 1 1 88 88 ILE HB H 1 1.793 0.05 . 1 . . . . . . . . 5354 1 1058 . 1 1 88 88 ILE CG1 C 13 27.023 0.3 . 1 . . . . . . . . 5354 1 1059 . 1 1 88 88 ILE HG13 H 1 1.003 0.05 . 4 . . . . . . . . 5354 1 1060 . 1 1 88 88 ILE HG12 H 1 1.472 0.05 . 2 . . . . . . . . 5354 1 1061 . 1 1 88 88 ILE CD1 C 13 14.273 0.3 . 1 . . . . . . . . 5354 1 1062 . 1 1 88 88 ILE HD11 H 1 1.001 0.05 . 1 . . . . . . . . 5354 1 1063 . 1 1 88 88 ILE HD12 H 1 1.001 0.05 . 1 . . . . . . . . 5354 1 1064 . 1 1 88 88 ILE HD13 H 1 1.001 0.05 . 1 . . . . . . . . 5354 1 1065 . 1 1 88 88 ILE CG2 C 13 16.923 0.3 . 1 . . . . . . . . 5354 1 1066 . 1 1 88 88 ILE HG21 H 1 0.853 0.05 . 1 . . . . . . . . 5354 1 1067 . 1 1 88 88 ILE HG22 H 1 0.853 0.05 . 1 . . . . . . . . 5354 1 1068 . 1 1 88 88 ILE HG23 H 1 0.853 0.05 . 1 . . . . . . . . 5354 1 1069 . 1 1 89 89 PRO CA C 13 62.353 0.3 . 1 . . . . . . . . 5354 1 1070 . 1 1 89 89 PRO HA H 1 5.161 0.05 . 1 . . . . . . . . 5354 1 1071 . 1 1 89 89 PRO CB C 13 31.477 0.3 . 1 . . . . . . . . 5354 1 1072 . 1 1 89 89 PRO HB3 H 1 1.804 0.05 . 1 . . . . . . . . 5354 1 1073 . 1 1 89 89 PRO HB2 H 1 2.183 0.05 . 1 . . . . . . . . 5354 1 1074 . 1 1 89 89 PRO CG C 13 27.322 0.3 . 1 . . . . . . . . 5354 1 1075 . 1 1 89 89 PRO HG3 H 1 2.039 0.05 . 2 . . . . . . . . 5354 1 1076 . 1 1 89 89 PRO HG2 H 1 2.313 0.05 . 2 . . . . . . . . 5354 1 1077 . 1 1 89 89 PRO CD C 13 51.076 0.3 . 1 . . . . . . . . 5354 1 1078 . 1 1 89 89 PRO HD3 H 1 3.815 0.05 . 2 . . . . . . . . 5354 1 1079 . 1 1 89 89 PRO HD2 H 1 3.959 0.05 . 2 . . . . . . . . 5354 1 1080 . 1 1 89 89 PRO C C 13 177.867 0.3 . 1 . . . . . . . . 5354 1 1081 . 1 1 90 90 VAL N N 15 117.620 0.2 . 1 . . . . . . . . 5354 1 1082 . 1 1 90 90 VAL H H 1 9.560 0.05 . 1 . . . . . . . . 5354 1 1083 . 1 1 90 90 VAL CA C 13 58.987 0.3 . 1 . . . . . . . . 5354 1 1084 . 1 1 90 90 VAL HA H 1 5.223 0.05 . 1 . . . . . . . . 5354 1 1085 . 1 1 90 90 VAL CB C 13 36.026 0.3 . 1 . . . . . . . . 5354 1 1086 . 1 1 90 90 VAL HB H 1 2.026 0.05 . 1 . . . . . . . . 5354 1 1087 . 1 1 90 90 VAL CG2 C 13 19.905 0.3 . 1 . . . . . . . . 5354 1 1088 . 1 1 90 90 VAL HG21 H 1 0.921 0.05 . 2 . . . . . . . . 5354 1 1089 . 1 1 90 90 VAL HG22 H 1 0.921 0.05 . 2 . . . . . . . . 5354 1 1090 . 1 1 90 90 VAL HG23 H 1 0.921 0.05 . 2 . . . . . . . . 5354 1 1091 . 1 1 90 90 VAL CG1 C 13 21.823 0.3 . 1 . . . . . . . . 5354 1 1092 . 1 1 90 90 VAL HG11 H 1 0.839 0.05 . 2 . . . . . . . . 5354 1 1093 . 1 1 90 90 VAL HG12 H 1 0.839 0.05 . 2 . . . . . . . . 5354 1 1094 . 1 1 90 90 VAL HG13 H 1 0.839 0.05 . 2 . . . . . . . . 5354 1 1095 . 1 1 90 90 VAL C C 13 174.312 0.3 . 1 . . . . . . . . 5354 1 1096 . 1 1 91 91 SER N N 15 116.369 0.2 . 1 . . . . . . . . 5354 1 1097 . 1 1 91 91 SER H H 1 8.807 0.05 . 1 . . . . . . . . 5354 1 1098 . 1 1 91 91 SER CA C 13 57.060 0.3 . 1 . . . . . . . . 5354 1 1099 . 1 1 91 91 SER HA H 1 5.040 0.05 . 1 . . . . . . . . 5354 1 1100 . 1 1 91 91 SER CB C 13 64.889 0.3 . 1 . . . . . . . . 5354 1 1101 . 1 1 91 91 SER HB3 H 1 3.885 0.05 . 1 . . . . . . . . 5354 1 1102 . 1 1 91 91 SER HB2 H 1 3.779 0.05 . 1 . . . . . . . . 5354 1 1103 . 1 1 91 91 SER C C 13 174.772 0.3 . 1 . . . . . . . . 5354 1 1104 . 1 1 92 92 VAL N N 15 123.508 0.2 . 1 . . . . . . . . 5354 1 1105 . 1 1 92 92 VAL H H 1 8.733 0.05 . 1 . . . . . . . . 5354 1 1106 . 1 1 92 92 VAL CA C 13 61.627 0.3 . 1 . . . . . . . . 5354 1 1107 . 1 1 92 92 VAL HA H 1 5.056 0.05 . 1 . . . . . . . . 5354 1 1108 . 1 1 92 92 VAL CB C 13 34.291 0.3 . 1 . . . . . . . . 5354 1 1109 . 1 1 92 92 VAL HB H 1 1.918 0.05 . 1 . . . . . . . . 5354 1 1110 . 1 1 92 92 VAL CG2 C 13 22.160 0.3 . 1 . . . . . . . . 5354 1 1111 . 1 1 92 92 VAL HG21 H 1 0.877 0.05 . 2 . . . . . . . . 5354 1 1112 . 1 1 92 92 VAL HG22 H 1 0.877 0.05 . 2 . . . . . . . . 5354 1 1113 . 1 1 92 92 VAL HG23 H 1 0.877 0.05 . 2 . . . . . . . . 5354 1 1114 . 1 1 92 92 VAL CG1 C 13 21.599 0.3 . 1 . . . . . . . . 5354 1 1115 . 1 1 92 92 VAL HG11 H 1 0.807 0.05 . 2 . . . . . . . . 5354 1 1116 . 1 1 92 92 VAL HG12 H 1 0.807 0.05 . 2 . . . . . . . . 5354 1 1117 . 1 1 92 92 VAL HG13 H 1 0.807 0.05 . 2 . . . . . . . . 5354 1 1118 . 1 1 92 92 VAL C C 13 174.623 0.3 . 1 . . . . . . . . 5354 1 1119 . 1 1 93 93 TRP N N 15 127.835 0.2 . 1 . . . . . . . . 5354 1 1120 . 1 1 93 93 TRP H H 1 8.982 0.05 . 1 . . . . . . . . 5354 1 1121 . 1 1 93 93 TRP CA C 13 56.444 0.3 . 1 . . . . . . . . 5354 1 1122 . 1 1 93 93 TRP HA H 1 5.286 0.05 . 1 . . . . . . . . 5354 1 1123 . 1 1 93 93 TRP CB C 13 32.749 0.3 . 1 . . . . . . . . 5354 1 1124 . 1 1 93 93 TRP HB3 H 1 3.277 0.05 . 1 . . . . . . . . 5354 1 1125 . 1 1 93 93 TRP HB2 H 1 3.277 0.05 . 1 . . . . . . . . 5354 1 1126 . 1 1 93 93 TRP CD1 C 13 127.853 0.3 . 1 . . . . . . . . 5354 1 1127 . 1 1 93 93 TRP HD1 H 1 7.144 0.05 . 1 . . . . . . . . 5354 1 1128 . 1 1 93 93 TRP NE1 N 15 130.009 0.2 . 1 . . . . . . . . 5354 1 1129 . 1 1 93 93 TRP HE1 H 1 10.209 0.05 . 1 . . . . . . . . 5354 1 1130 . 1 1 93 93 TRP CZ2 C 13 114.623 0.3 . 1 . . . . . . . . 5354 1 1131 . 1 1 93 93 TRP HZ2 H 1 7.401 0.05 . 1 . . . . . . . . 5354 1 1132 . 1 1 93 93 TRP CH2 C 13 124.323 0.3 . 1 . . . . . . . . 5354 1 1133 . 1 1 93 93 TRP HH2 H 1 7.129 0.05 . 1 . . . . . . . . 5354 1 1134 . 1 1 93 93 TRP CZ3 C 13 121.559 0.3 . 1 . . . . . . . . 5354 1 1135 . 1 1 93 93 TRP HZ3 H 1 6.886 0.05 . 1 . . . . . . . . 5354 1 1136 . 1 1 93 93 TRP CE3 C 13 120.918 0.3 . 1 . . . . . . . . 5354 1 1137 . 1 1 93 93 TRP HE3 H 1 7.441 0.05 . 1 . . . . . . . . 5354 1 1138 . 1 1 93 93 TRP C C 13 174.877 0.3 . 1 . . . . . . . . 5354 1 1139 . 1 1 94 94 MET N N 15 120.842 0.2 . 1 . . . . . . . . 5354 1 1140 . 1 1 94 94 MET H H 1 8.848 0.05 . 1 . . . . . . . . 5354 1 1141 . 1 1 94 94 MET CA C 13 54.658 0.3 . 1 . . . . . . . . 5354 1 1142 . 1 1 94 94 MET HA H 1 5.782 0.05 . 1 . . . . . . . . 5354 1 1143 . 1 1 94 94 MET CB C 13 37.996 0.3 . 1 . . . . . . . . 5354 1 1144 . 1 1 94 94 MET HB3 H 1 1.880 0.05 . 1 . . . . . . . . 5354 1 1145 . 1 1 94 94 MET HB2 H 1 1.880 0.05 . 1 . . . . . . . . 5354 1 1146 . 1 1 94 94 MET CG C 13 32.500 0.3 . 1 . . . . . . . . 5354 1 1147 . 1 1 94 94 MET HG3 H 1 2.327 0.05 . 2 . . . . . . . . 5354 1 1148 . 1 1 94 94 MET HG2 H 1 2.454 0.05 . 2 . . . . . . . . 5354 1 1149 . 1 1 94 94 MET CE C 13 18.090 0.3 . 1 . . . . . . . . 5354 1 1150 . 1 1 94 94 MET HE1 H 1 1.896 0.05 . 1 . . . . . . . . 5354 1 1151 . 1 1 94 94 MET HE2 H 1 1.896 0.05 . 1 . . . . . . . . 5354 1 1152 . 1 1 94 94 MET HE3 H 1 1.896 0.05 . 1 . . . . . . . . 5354 1 1153 . 1 1 94 94 MET C C 13 173.973 0.3 . 1 . . . . . . . . 5354 1 1154 . 1 1 95 95 LYS N N 15 120.999 0.2 . 1 . . . . . . . . 5354 1 1155 . 1 1 95 95 LYS H H 1 8.663 0.05 . 1 . . . . . . . . 5354 1 1156 . 1 1 95 95 LYS CA C 13 55.448 0.3 . 1 . . . . . . . . 5354 1 1157 . 1 1 95 95 LYS HA H 1 4.705 0.05 . 1 . . . . . . . . 5354 1 1158 . 1 1 95 95 LYS CB C 13 36.640 0.3 . 1 . . . . . . . . 5354 1 1159 . 1 1 95 95 LYS HB3 H 1 1.605 0.05 . 2 . . . . . . . . 5354 1 1160 . 1 1 95 95 LYS HB2 H 1 1.736 0.05 . 2 . . . . . . . . 5354 1 1161 . 1 1 95 95 LYS CG C 13 24.984 0.3 . 1 . . . . . . . . 5354 1 1162 . 1 1 95 95 LYS HG3 H 1 1.324 0.05 . 2 . . . . . . . . 5354 1 1163 . 1 1 95 95 LYS HG2 H 1 1.442 0.05 . 2 . . . . . . . . 5354 1 1164 . 1 1 95 95 LYS CD C 13 29.270 0.3 . 1 . . . . . . . . 5354 1 1165 . 1 1 95 95 LYS HD3 H 1 1.748 0.05 . 1 . . . . . . . . 5354 1 1166 . 1 1 95 95 LYS HD2 H 1 1.748 0.05 . 1 . . . . . . . . 5354 1 1167 . 1 1 95 95 LYS CE C 13 42.300 0.3 . 1 . . . . . . . . 5354 1 1168 . 1 1 95 95 LYS HE3 H 1 2.981 0.05 . 1 . . . . . . . . 5354 1 1169 . 1 1 95 95 LYS HE2 H 1 2.981 0.05 . 1 . . . . . . . . 5354 1 1170 . 1 1 95 95 LYS C C 13 174.926 0.3 . 1 . . . . . . . . 5354 1 1171 . 1 1 96 96 ARG N N 15 125.624 0.2 . 1 . . . . . . . . 5354 1 1172 . 1 1 96 96 ARG H H 1 8.903 0.05 . 1 . . . . . . . . 5354 1 1173 . 1 1 96 96 ARG CA C 13 56.437 0.3 . 1 . . . . . . . . 5354 1 1174 . 1 1 96 96 ARG HA H 1 4.988 0.05 . 1 . . . . . . . . 5354 1 1175 . 1 1 96 96 ARG CB C 13 31.731 0.3 . 1 . . . . . . . . 5354 1 1176 . 1 1 96 96 ARG HB3 H 1 1.721 0.05 . 2 . . . . . . . . 5354 1 1177 . 1 1 96 96 ARG HB2 H 1 1.814 0.05 . 2 . . . . . . . . 5354 1 1178 . 1 1 96 96 ARG CG C 13 28.558 0.3 . 1 . . . . . . . . 5354 1 1179 . 1 1 96 96 ARG HG3 H 1 1.696 0.05 . 2 . . . . . . . . 5354 1 1180 . 1 1 96 96 ARG HG2 H 1 1.743 0.05 . 2 . . . . . . . . 5354 1 1181 . 1 1 96 96 ARG CD C 13 43.435 0.3 . 1 . . . . . . . . 5354 1 1182 . 1 1 96 96 ARG HD3 H 1 3.133 0.05 . 1 . . . . . . . . 5354 1 1183 . 1 1 96 96 ARG HD2 H 1 3.133 0.05 . 1 . . . . . . . . 5354 1 1184 . 1 1 96 96 ARG NE N 15 84.558 0.2 . 1 . . . . . . . . 5354 1 1185 . 1 1 96 96 ARG HE H 1 7.452 0.05 . 1 . . . . . . . . 5354 1 1186 . 1 1 96 96 ARG C C 13 175.620 0.3 . 1 . . . . . . . . 5354 1 1187 . 1 1 97 97 MET N N 15 119.578 0.2 . 1 . . . . . . . . 5354 1 1188 . 1 1 97 97 MET H H 1 8.613 0.05 . 1 . . . . . . . . 5354 1 1189 . 1 1 97 97 MET CA C 13 55.018 0.3 . 1 . . . . . . . . 5354 1 1190 . 1 1 97 97 MET HA H 1 4.697 0.05 . 1 . . . . . . . . 5354 1 1191 . 1 1 97 97 MET CB C 13 34.713 0.3 . 1 . . . . . . . . 5354 1 1192 . 1 1 97 97 MET HB3 H 1 2.033 0.05 . 2 . . . . . . . . 5354 1 1193 . 1 1 97 97 MET HB2 H 1 2.117 0.05 . 2 . . . . . . . . 5354 1 1194 . 1 1 97 97 MET CG C 13 31.236 0.3 . 1 . . . . . . . . 5354 1 1195 . 1 1 97 97 MET HG3 H 1 2.374 0.05 . 1 . . . . . . . . 5354 1 1196 . 1 1 97 97 MET HG2 H 1 2.374 0.05 . 1 . . . . . . . . 5354 1 1197 . 1 1 97 97 MET CE C 13 17.862 0.3 . 1 . . . . . . . . 5354 1 1198 . 1 1 97 97 MET HE1 H 1 1.990 0.05 . 1 . . . . . . . . 5354 1 1199 . 1 1 97 97 MET HE2 H 1 1.990 0.05 . 1 . . . . . . . . 5354 1 1200 . 1 1 97 97 MET HE3 H 1 1.990 0.05 . 1 . . . . . . . . 5354 1 1201 . 1 1 97 97 MET C C 13 173.614 0.3 . 1 . . . . . . . . 5354 1 1202 . 1 1 98 98 ARG N N 15 122.553 0.2 . 1 . . . . . . . . 5354 1 1203 . 1 1 98 98 ARG H H 1 8.765 0.05 . 1 . . . . . . . . 5354 1 1204 . 1 1 98 98 ARG CA C 13 55.637 0.3 . 1 . . . . . . . . 5354 1 1205 . 1 1 98 98 ARG HA H 1 4.940 0.05 . 1 . . . . . . . . 5354 1 1206 . 1 1 98 98 ARG CB C 13 31.662 0.3 . 1 . . . . . . . . 5354 1 1207 . 1 1 98 98 ARG HB3 H 1 1.718 0.05 . 1 . . . . . . . . 5354 1 1208 . 1 1 98 98 ARG HB2 H 1 1.718 0.05 . 1 . . . . . . . . 5354 1 1209 . 1 1 98 98 ARG CG C 13 27.914 0.3 . 1 . . . . . . . . 5354 1 1210 . 1 1 98 98 ARG HG3 H 1 1.456 0.05 . 2 . . . . . . . . 5354 1 1211 . 1 1 98 98 ARG HG2 H 1 1.558 0.05 . 2 . . . . . . . . 5354 1 1212 . 1 1 98 98 ARG CD C 13 43.483 0.3 . 1 . . . . . . . . 5354 1 1213 . 1 1 98 98 ARG HD3 H 1 3.127 0.05 . 1 . . . . . . . . 5354 1 1214 . 1 1 98 98 ARG HD2 H 1 3.127 0.05 . 1 . . . . . . . . 5354 1 1215 . 1 1 98 98 ARG C C 13 175.882 0.3 . 1 . . . . . . . . 5354 1 1216 . 1 1 99 99 GLN N N 15 124.531 0.2 . 1 . . . . . . . . 5354 1 1217 . 1 1 99 99 GLN H H 1 8.631 0.05 . 1 . . . . . . . . 5354 1 1218 . 1 1 99 99 GLN CA C 13 55.234 0.3 . 1 . . . . . . . . 5354 1 1219 . 1 1 99 99 GLN HA H 1 4.569 0.05 . 1 . . . . . . . . 5354 1 1220 . 1 1 99 99 GLN CB C 13 30.381 0.3 . 1 . . . . . . . . 5354 1 1221 . 1 1 99 99 GLN HB3 H 1 1.931 0.05 . 2 . . . . . . . . 5354 1 1222 . 1 1 99 99 GLN HB2 H 1 2.109 0.05 . 2 . . . . . . . . 5354 1 1223 . 1 1 99 99 GLN CG C 13 34.033 0.3 . 1 . . . . . . . . 5354 1 1224 . 1 1 99 99 GLN HG3 H 1 2.270 0.05 . 2 . . . . . . . . 5354 1 1225 . 1 1 99 99 GLN HG2 H 1 2.374 0.05 . 2 . . . . . . . . 5354 1 1226 . 1 1 99 99 GLN CD C 13 179.692 0.3 . 1 . . . . . . . . 5354 1 1227 . 1 1 99 99 GLN NE2 N 15 110.228 0.2 . 1 . . . . . . . . 5354 1 1228 . 1 1 99 99 GLN HE21 H 1 7.350 0.05 . 1 . . . . . . . . 5354 1 1229 . 1 1 99 99 GLN HE22 H 1 6.660 0.05 . 1 . . . . . . . . 5354 1 1230 . 1 1 99 99 GLN C C 13 175.419 0.3 . 1 . . . . . . . . 5354 1 1231 . 1 1 100 100 GLU N N 15 125.119 0.2 . 1 . . . . . . . . 5354 1 1232 . 1 1 100 100 GLU H H 1 9.150 0.05 . 1 . . . . . . . . 5354 1 1233 . 1 1 100 100 GLU CA C 13 58.710 0.3 . 1 . . . . . . . . 5354 1 1234 . 1 1 100 100 GLU HA H 1 3.851 0.05 . 1 . . . . . . . . 5354 1 1235 . 1 1 100 100 GLU CB C 13 27.705 0.3 . 1 . . . . . . . . 5354 1 1236 . 1 1 100 100 GLU HB3 H 1 2.209 0.05 . 1 . . . . . . . . 5354 1 1237 . 1 1 100 100 GLU HB2 H 1 2.209 0.05 . 1 . . . . . . . . 5354 1 1238 . 1 1 100 100 GLU CG C 13 36.371 0.3 . 1 . . . . . . . . 5354 1 1239 . 1 1 100 100 GLU HG3 H 1 2.263 0.05 . 2 . . . . . . . . 5354 1 1240 . 1 1 100 100 GLU HG2 H 1 2.331 0.05 . 2 . . . . . . . . 5354 1 1241 . 1 1 100 100 GLU C C 13 175.913 0.3 . 1 . . . . . . . . 5354 1 1242 . 1 1 101 101 ARG N N 15 116.372 0.2 . 1 . . . . . . . . 5354 1 1243 . 1 1 101 101 ARG H H 1 8.536 0.05 . 1 . . . . . . . . 5354 1 1244 . 1 1 101 101 ARG CA C 13 57.174 0.3 . 1 . . . . . . . . 5354 1 1245 . 1 1 101 101 ARG HA H 1 4.157 0.05 . 1 . . . . . . . . 5354 1 1246 . 1 1 101 101 ARG CB C 13 29.497 0.3 . 1 . . . . . . . . 5354 1 1247 . 1 1 101 101 ARG HB3 H 1 1.967 0.05 . 2 . . . . . . . . 5354 1 1248 . 1 1 101 101 ARG HB2 H 1 2.070 0.05 . 2 . . . . . . . . 5354 1 1249 . 1 1 101 101 ARG CG C 13 27.582 0.3 . 1 . . . . . . . . 5354 1 1250 . 1 1 101 101 ARG HG3 H 1 1.634 0.05 . 1 . . . . . . . . 5354 1 1251 . 1 1 101 101 ARG HG2 H 1 1.634 0.05 . 1 . . . . . . . . 5354 1 1252 . 1 1 101 101 ARG CD C 13 43.302 0.3 . 1 . . . . . . . . 5354 1 1253 . 1 1 101 101 ARG HD3 H 1 3.237 0.05 . 1 . . . . . . . . 5354 1 1254 . 1 1 101 101 ARG HD2 H 1 3.237 0.05 . 1 . . . . . . . . 5354 1 1255 . 1 1 101 101 ARG C C 13 175.630 0.3 . 1 . . . . . . . . 5354 1 1256 . 1 1 102 102 ARG N N 15 122.163 0.2 . 1 . . . . . . . . 5354 1 1257 . 1 1 102 102 ARG H H 1 7.995 0.05 . 1 . . . . . . . . 5354 1 1258 . 1 1 102 102 ARG CA C 13 55.653 0.3 . 1 . . . . . . . . 5354 1 1259 . 1 1 102 102 ARG HA H 1 4.524 0.05 . 1 . . . . . . . . 5354 1 1260 . 1 1 102 102 ARG CB C 13 33.062 0.3 . 1 . . . . . . . . 5354 1 1261 . 1 1 102 102 ARG HB3 H 1 1.782 0.05 . 1 . . . . . . . . 5354 1 1262 . 1 1 102 102 ARG HB2 H 1 1.974 0.05 . 1 . . . . . . . . 5354 1 1263 . 1 1 102 102 ARG CG C 13 26.838 0.3 . 1 . . . . . . . . 5354 1 1264 . 1 1 102 102 ARG HG3 H 1 1.619 0.05 . 2 . . . . . . . . 5354 1 1265 . 1 1 102 102 ARG HG2 H 1 1.704 0.05 . 2 . . . . . . . . 5354 1 1266 . 1 1 102 102 ARG CD C 13 44.655 0.3 . 1 . . . . . . . . 5354 1 1267 . 1 1 102 102 ARG HD3 H 1 3.035 0.05 . 2 . . . . . . . . 5354 1 1268 . 1 1 102 102 ARG HD2 H 1 3.131 0.05 . 2 . . . . . . . . 5354 1 1269 . 1 1 102 102 ARG NE N 15 84.436 0.2 . 1 . . . . . . . . 5354 1 1270 . 1 1 102 102 ARG HE H 1 7.730 0.05 . 1 . . . . . . . . 5354 1 1271 . 1 1 102 102 ARG C C 13 175.372 0.3 . 1 . . . . . . . . 5354 1 1272 . 1 1 103 103 LEU N N 15 128.204 0.2 . 1 . . . . . . . . 5354 1 1273 . 1 1 103 103 LEU H H 1 8.905 0.05 . 1 . . . . . . . . 5354 1 1274 . 1 1 103 103 LEU CA C 13 55.889 0.3 . 1 . . . . . . . . 5354 1 1275 . 1 1 103 103 LEU HA H 1 4.519 0.05 . 1 . . . . . . . . 5354 1 1276 . 1 1 103 103 LEU CB C 13 41.510 0.3 . 1 . . . . . . . . 5354 1 1277 . 1 1 103 103 LEU HB3 H 1 1.793 0.05 . 1 . . . . . . . . 5354 1 1278 . 1 1 103 103 LEU HB2 H 1 1.554 0.05 . 1 . . . . . . . . 5354 1 1279 . 1 1 103 103 LEU CG C 13 27.297 0.3 . 1 . . . . . . . . 5354 1 1280 . 1 1 103 103 LEU HG H 1 1.554 0.05 . 1 . . . . . . . . 5354 1 1281 . 1 1 103 103 LEU CD1 C 13 24.086 0.3 . 1 . . . . . . . . 5354 1 1282 . 1 1 103 103 LEU HD11 H 1 0.875 0.05 . 2 . . . . . . . . 5354 1 1283 . 1 1 103 103 LEU HD12 H 1 0.875 0.05 . 2 . . . . . . . . 5354 1 1284 . 1 1 103 103 LEU HD13 H 1 0.875 0.05 . 2 . . . . . . . . 5354 1 1285 . 1 1 103 103 LEU CD2 C 13 25.016 0.3 . 1 . . . . . . . . 5354 1 1286 . 1 1 103 103 LEU HD21 H 1 0.865 0.05 . 2 . . . . . . . . 5354 1 1287 . 1 1 103 103 LEU HD22 H 1 0.865 0.05 . 2 . . . . . . . . 5354 1 1288 . 1 1 103 103 LEU HD23 H 1 0.865 0.05 . 2 . . . . . . . . 5354 1 1289 . 1 1 103 103 LEU C C 13 176.341 0.3 . 1 . . . . . . . . 5354 1 1290 . 1 1 104 104 CYS N N 15 124.996 0.2 . 1 . . . . . . . . 5354 1 1291 . 1 1 104 104 CYS H H 1 9.018 0.05 . 1 . . . . . . . . 5354 1 1292 . 1 1 104 104 CYS CA C 13 58.097 0.3 . 1 . . . . . . . . 5354 1 1293 . 1 1 104 104 CYS HA H 1 5.428 0.05 . 1 . . . . . . . . 5354 1 1294 . 1 1 104 104 CYS CB C 13 31.961 0.3 . 1 . . . . . . . . 5354 1 1295 . 1 1 104 104 CYS HB3 H 1 2.764 0.05 . 2 . . . . . . . . 5354 1 1296 . 1 1 104 104 CYS HB2 H 1 2.871 0.05 . 2 . . . . . . . . 5354 1 1297 . 1 1 104 104 CYS C C 13 173.490 0.3 . 1 . . . . . . . . 5354 1 1298 . 1 1 105 105 CYS N N 15 118.594 0.2 . 1 . . . . . . . . 5354 1 1299 . 1 1 105 105 CYS H H 1 9.244 0.05 . 1 . . . . . . . . 5354 1 1300 . 1 1 105 105 CYS CA C 13 57.137 0.3 . 1 . . . . . . . . 5354 1 1301 . 1 1 105 105 CYS HA H 1 5.253 0.05 . 1 . . . . . . . . 5354 1 1302 . 1 1 105 105 CYS CB C 13 29.828 0.3 . 1 . . . . . . . . 5354 1 1303 . 1 1 105 105 CYS HB3 H 1 2.699 0.05 . 1 . . . . . . . . 5354 1 1304 . 1 1 105 105 CYS HB2 H 1 2.517 0.05 . 1 . . . . . . . . 5354 1 1305 . 1 1 105 105 CYS C C 13 173.465 0.3 . 1 . . . . . . . . 5354 1 1306 . 1 1 106 106 VAL N N 15 128.613 0.2 . 1 . . . . . . . . 5354 1 1307 . 1 1 106 106 VAL H H 1 9.324 0.05 . 1 . . . . . . . . 5354 1 1308 . 1 1 106 106 VAL CA C 13 62.260 0.3 . 1 . . . . . . . . 5354 1 1309 . 1 1 106 106 VAL HA H 1 4.949 0.05 . 1 . . . . . . . . 5354 1 1310 . 1 1 106 106 VAL CB C 13 32.628 0.3 . 1 . . . . . . . . 5354 1 1311 . 1 1 106 106 VAL HB H 1 2.042 0.05 . 1 . . . . . . . . 5354 1 1312 . 1 1 106 106 VAL CG2 C 13 21.530 0.3 . 1 . . . . . . . . 5354 1 1313 . 1 1 106 106 VAL HG21 H 1 1.039 0.05 . 4 . . . . . . . . 5354 1 1314 . 1 1 106 106 VAL HG22 H 1 1.039 0.05 . 4 . . . . . . . . 5354 1 1315 . 1 1 106 106 VAL HG23 H 1 1.039 0.05 . 4 . . . . . . . . 5354 1 1316 . 1 1 106 106 VAL CG1 C 13 21.138 0.3 . 1 . . . . . . . . 5354 1 1317 . 1 1 106 106 VAL HG11 H 1 0.942 0.05 . 4 . . . . . . . . 5354 1 1318 . 1 1 106 106 VAL HG12 H 1 0.942 0.05 . 4 . . . . . . . . 5354 1 1319 . 1 1 106 106 VAL HG13 H 1 0.942 0.05 . 4 . . . . . . . . 5354 1 1320 . 1 1 106 106 VAL C C 13 175.081 0.3 . 1 . . . . . . . . 5354 1 1321 . 1 1 107 107 VAL N N 15 128.457 0.2 . 1 . . . . . . . . 5354 1 1322 . 1 1 107 107 VAL H H 1 9.493 0.05 . 1 . . . . . . . . 5354 1 1323 . 1 1 107 107 VAL CA C 13 61.240 0.3 . 1 . . . . . . . . 5354 1 1324 . 1 1 107 107 VAL HA H 1 4.829 0.05 . 1 . . . . . . . . 5354 1 1325 . 1 1 107 107 VAL CB C 13 34.310 0.3 . 1 . . . . . . . . 5354 1 1326 . 1 1 107 107 VAL HB H 1 2.044 0.05 . 1 . . . . . . . . 5354 1 1327 . 1 1 107 107 VAL CG2 C 13 21.865 0.3 . 1 . . . . . . . . 5354 1 1328 . 1 1 107 107 VAL HG21 H 1 0.926 0.05 . 2 . . . . . . . . 5354 1 1329 . 1 1 107 107 VAL HG22 H 1 0.926 0.05 . 2 . . . . . . . . 5354 1 1330 . 1 1 107 107 VAL HG23 H 1 0.926 0.05 . 2 . . . . . . . . 5354 1 1331 . 1 1 107 107 VAL CG1 C 13 21.617 0.3 . 1 . . . . . . . . 5354 1 1332 . 1 1 107 107 VAL HG11 H 1 0.856 0.05 . 2 . . . . . . . . 5354 1 1333 . 1 1 107 107 VAL HG12 H 1 0.856 0.05 . 2 . . . . . . . . 5354 1 1334 . 1 1 107 107 VAL HG13 H 1 0.856 0.05 . 2 . . . . . . . . 5354 1 1335 . 1 1 108 108 VAL N N 15 128.077 0.2 . 1 . . . . . . . . 5354 1 1336 . 1 1 108 108 VAL H H 1 9.309 0.05 . 1 . . . . . . . . 5354 1 1337 . 1 1 108 108 VAL CA C 13 60.930 0.3 . 1 . . . . . . . . 5354 1 1338 . 1 1 108 108 VAL HA H 1 5.026 0.05 . 1 . . . . . . . . 5354 1 1339 . 1 1 108 108 VAL CB C 13 33.811 0.3 . 1 . . . . . . . . 5354 1 1340 . 1 1 108 108 VAL HB H 1 1.724 0.05 . 1 . . . . . . . . 5354 1 1341 . 1 1 108 108 VAL CG2 C 13 20.981 0.3 . 1 . . . . . . . . 5354 1 1342 . 1 1 108 108 VAL HG21 H 1 0.793 0.05 . 2 . . . . . . . . 5354 1 1343 . 1 1 108 108 VAL HG22 H 1 0.793 0.05 . 2 . . . . . . . . 5354 1 1344 . 1 1 108 108 VAL HG23 H 1 0.793 0.05 . 2 . . . . . . . . 5354 1 1345 . 1 1 108 108 VAL CG1 C 13 21.627 0.3 . 1 . . . . . . . . 5354 1 1346 . 1 1 108 108 VAL HG11 H 1 0.709 0.05 . 2 . . . . . . . . 5354 1 1347 . 1 1 108 108 VAL HG12 H 1 0.709 0.05 . 2 . . . . . . . . 5354 1 1348 . 1 1 108 108 VAL HG13 H 1 0.709 0.05 . 2 . . . . . . . . 5354 1 1349 . 1 1 108 108 VAL C C 13 175.607 0.3 . 1 . . . . . . . . 5354 1 1350 . 1 1 109 109 LEU N N 15 124.952 0.2 . 1 . . . . . . . . 5354 1 1351 . 1 1 109 109 LEU H H 1 8.944 0.05 . 1 . . . . . . . . 5354 1 1352 . 1 1 109 109 LEU CA C 13 53.076 0.3 . 1 . . . . . . . . 5354 1 1353 . 1 1 109 109 LEU HA H 1 5.611 0.05 . 1 . . . . . . . . 5354 1 1354 . 1 1 109 109 LEU CB C 13 44.252 0.3 . 1 . . . . . . . . 5354 1 1355 . 1 1 109 109 LEU HB3 H 1 1.307 0.05 . 1 . . . . . . . . 5354 1 1356 . 1 1 109 109 LEU HB2 H 1 1.900 0.05 . 1 . . . . . . . . 5354 1 1357 . 1 1 109 109 LEU CG C 13 27.199 0.3 . 1 . . . . . . . . 5354 1 1358 . 1 1 109 109 LEU HG H 1 1.891 0.05 . 1 . . . . . . . . 5354 1 1359 . 1 1 109 109 LEU CD1 C 13 24.441 0.3 . 1 . . . . . . . . 5354 1 1360 . 1 1 109 109 LEU HD11 H 1 0.945 0.05 . 2 . . . . . . . . 5354 1 1361 . 1 1 109 109 LEU HD12 H 1 0.945 0.05 . 2 . . . . . . . . 5354 1 1362 . 1 1 109 109 LEU HD13 H 1 0.945 0.05 . 2 . . . . . . . . 5354 1 1363 . 1 1 109 109 LEU CD2 C 13 25.826 0.3 . 1 . . . . . . . . 5354 1 1364 . 1 1 109 109 LEU HD21 H 1 0.957 0.05 . 4 . . . . . . . . 5354 1 1365 . 1 1 109 109 LEU HD22 H 1 0.957 0.05 . 4 . . . . . . . . 5354 1 1366 . 1 1 109 109 LEU HD23 H 1 0.957 0.05 . 4 . . . . . . . . 5354 1 1367 . 1 1 109 109 LEU C C 13 176.079 0.3 . 1 . . . . . . . . 5354 1 1368 . 1 1 110 110 GLU N N 15 122.104 0.2 . 1 . . . . . . . . 5354 1 1369 . 1 1 110 110 GLU H H 1 8.793 0.05 . 1 . . . . . . . . 5354 1 1370 . 1 1 110 110 GLU CA C 13 52.773 0.3 . 1 . . . . . . . . 5354 1 1371 . 1 1 110 110 GLU HA H 1 5.113 0.05 . 1 . . . . . . . . 5354 1 1372 . 1 1 110 110 GLU CB C 13 32.741 0.3 . 1 . . . . . . . . 5354 1 1373 . 1 1 110 110 GLU HB3 H 1 1.993 0.05 . 1 . . . . . . . . 5354 1 1374 . 1 1 110 110 GLU HB2 H 1 2.187 0.05 . 1 . . . . . . . . 5354 1 1375 . 1 1 110 110 GLU CG C 13 36.294 0.3 . 1 . . . . . . . . 5354 1 1376 . 1 1 110 110 GLU HG3 H 1 2.245 0.05 . 1 . . . . . . . . 5354 1 1377 . 1 1 110 110 GLU HG2 H 1 2.245 0.05 . 1 . . . . . . . . 5354 1 1378 . 1 1 111 111 PRO CA C 13 63.408 0.3 . 1 . . . . . . . . 5354 1 1379 . 1 1 111 111 PRO HA H 1 4.949 0.05 . 1 . . . . . . . . 5354 1 1380 . 1 1 111 111 PRO CB C 13 32.669 0.3 . 1 . . . . . . . . 5354 1 1381 . 1 1 111 111 PRO HB3 H 1 1.798 0.05 . 1 . . . . . . . . 5354 1 1382 . 1 1 111 111 PRO HB2 H 1 1.997 0.05 . 1 . . . . . . . . 5354 1 1383 . 1 1 111 111 PRO CG C 13 28.133 0.3 . 1 . . . . . . . . 5354 1 1384 . 1 1 111 111 PRO HG3 H 1 2.253 0.05 . 1 . . . . . . . . 5354 1 1385 . 1 1 111 111 PRO HG2 H 1 2.253 0.05 . 1 . . . . . . . . 5354 1 1386 . 1 1 111 111 PRO CD C 13 51.452 0.3 . 1 . . . . . . . . 5354 1 1387 . 1 1 111 111 PRO HD3 H 1 3.817 0.05 . 2 . . . . . . . . 5354 1 1388 . 1 1 111 111 PRO HD2 H 1 3.948 0.05 . 2 . . . . . . . . 5354 1 1389 . 1 1 111 111 PRO C C 13 176.507 0.3 . 1 . . . . . . . . 5354 1 1390 . 1 1 112 112 VAL N N 15 122.498 0.2 . 1 . . . . . . . . 5354 1 1391 . 1 1 112 112 VAL H H 1 8.116 0.05 . 1 . . . . . . . . 5354 1 1392 . 1 1 112 112 VAL CA C 13 61.957 0.3 . 1 . . . . . . . . 5354 1 1393 . 1 1 112 112 VAL HA H 1 4.245 0.05 . 1 . . . . . . . . 5354 1 1394 . 1 1 112 112 VAL CB C 13 33.433 0.3 . 1 . . . . . . . . 5354 1 1395 . 1 1 112 112 VAL HB H 1 2.018 0.05 . 1 . . . . . . . . 5354 1 1396 . 1 1 112 112 VAL CG2 C 13 20.949 0.3 . 1 . . . . . . . . 5354 1 1397 . 1 1 112 112 VAL HG21 H 1 0.929 0.05 . 2 . . . . . . . . 5354 1 1398 . 1 1 112 112 VAL HG22 H 1 0.929 0.05 . 2 . . . . . . . . 5354 1 1399 . 1 1 112 112 VAL HG23 H 1 0.929 0.05 . 2 . . . . . . . . 5354 1 1400 . 1 1 112 112 VAL CG1 C 13 21.602 0.3 . 1 . . . . . . . . 5354 1 1401 . 1 1 112 112 VAL HG11 H 1 0.986 0.05 . 4 . . . . . . . . 5354 1 1402 . 1 1 112 112 VAL HG12 H 1 0.986 0.05 . 4 . . . . . . . . 5354 1 1403 . 1 1 112 112 VAL HG13 H 1 0.986 0.05 . 4 . . . . . . . . 5354 1 1404 . 1 1 112 112 VAL C C 13 175.989 0.3 . 1 . . . . . . . . 5354 1 1405 . 1 1 113 113 GLU N N 15 124.722 0.2 . 1 . . . . . . . . 5354 1 1406 . 1 1 113 113 GLU H H 1 8.538 0.05 . 1 . . . . . . . . 5354 1 1407 . 1 1 113 113 GLU CA C 13 56.458 0.3 . 1 . . . . . . . . 5354 1 1408 . 1 1 113 113 GLU HA H 1 4.379 0.05 . 1 . . . . . . . . 5354 1 1409 . 1 1 113 113 GLU CB C 13 30.355 0.3 . 1 . . . . . . . . 5354 1 1410 . 1 1 113 113 GLU HB3 H 1 1.963 0.05 . 1 . . . . . . . . 5354 1 1411 . 1 1 113 113 GLU HB2 H 1 2.018 0.05 . 1 . . . . . . . . 5354 1 1412 . 1 1 113 113 GLU CG C 13 36.321 0.3 . 1 . . . . . . . . 5354 1 1413 . 1 1 113 113 GLU HG3 H 1 2.261 0.05 . 2 . . . . . . . . 5354 1 1414 . 1 1 113 113 GLU HG2 H 1 2.320 0.05 . 2 . . . . . . . . 5354 1 1415 . 1 1 113 113 GLU C C 13 175.472 0.3 . 1 . . . . . . . . 5354 1 1416 . 1 1 114 114 ARG N N 15 128.234 0.2 . 1 . . . . . . . . 5354 1 1417 . 1 1 114 114 ARG H H 1 8.050 0.05 . 1 . . . . . . . . 5354 1 1418 . 1 1 114 114 ARG CA C 13 57.415 0.3 . 1 . . . . . . . . 5354 1 1419 . 1 1 114 114 ARG HA H 1 4.177 0.05 . 1 . . . . . . . . 5354 1 1420 . 1 1 114 114 ARG CB C 13 31.693 0.3 . 1 . . . . . . . . 5354 1 1421 . 1 1 114 114 ARG HB3 H 1 1.733 0.05 . 2 . . . . . . . . 5354 1 1422 . 1 1 114 114 ARG HB2 H 1 1.867 0.05 . 2 . . . . . . . . 5354 1 1423 . 1 1 114 114 ARG CG C 13 27.319 0.3 . 1 . . . . . . . . 5354 1 1424 . 1 1 114 114 ARG HG3 H 1 1.628 0.05 . 1 . . . . . . . . 5354 1 1425 . 1 1 114 114 ARG HG2 H 1 1.628 0.05 . 1 . . . . . . . . 5354 1 1426 . 1 1 114 114 ARG CD C 13 43.694 0.3 . 1 . . . . . . . . 5354 1 1427 . 1 1 114 114 ARG HD3 H 1 3.207 0.05 . 1 . . . . . . . . 5354 1 1428 . 1 1 114 114 ARG HD2 H 1 3.207 0.05 . 1 . . . . . . . . 5354 1 1429 . 1 1 114 114 ARG NE N 15 85.116 0.2 . 1 . . . . . . . . 5354 1 1430 . 1 1 114 114 ARG HE H 1 7.274 0.05 . 1 . . . . . . . . 5354 1 stop_ save_