data_5482 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5482 _Entry.Title ; Assignment of 1H, 13C and 15N resonances of the N-terminal microtubule-binding domain of human doublecortin ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-07-29 _Entry.Accession_date 2002-07-29 _Entry.Last_release_date 2003-01-14 _Entry.Original_release_date 2003-01-14 _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 Tomasz Cierpicki . . . 5482 2 'Myung Hee' Kim . . . 5482 3 Jacek Otlewski . . . 5482 4 Zygmunt Derewenda . S. . 5482 5 John Bushweller . H. . 5482 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5482 coupling_constants 1 5482 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 793 5482 '13C chemical shifts' 353 5482 '15N chemical shifts' 122 5482 'coupling constants' 94 5482 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 . . 2003-01-14 2002-07-29 original author . 5482 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5482 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 13C and 15N resonances of the N-terminal microtubule-binding domain of human doublecortin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 1 _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 81 _Citation.Page_last 82 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tomasz Cierpicki . . . 5482 1 2 'Myung Hee' Kim . . . 5482 1 3 Jacek Otlewski . . . 5482 1 4 Zygmunt Derewenda . S. . 5482 1 5 John Bushweller . H. . 5482 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID doublecortin 5482 1 tubulin 5482 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5482 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _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. . . 5482 2 2 S. Grzesiek S. . . 5482 2 3 G.W. Vuister G. W. . 5482 2 4 G. Zhu G. . . 5482 2 5 J. Pfeifer J. . . 5482 2 6 A. Bax A. . . 5482 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5482 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Goddard, TD., Kneller DG. Sparky3, University of california, San Francisco. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DC _Assembly.Entry_ID 5482 _Assembly.ID 1 _Assembly.Name 'DC 45-150' _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 5482 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 'DC 45-150' 1 $DC_45-150 . . . native . . . . . 5482 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DC 45-150' system 5482 1 DC abbreviation 5482 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'microtubule binding domain' 5482 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DC_45-150 _Entity.Sf_category entity _Entity.Sf_framecode DC_45-150 _Entity.Entry_ID 5482 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name doublecortin _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 ; GAMDPEFALSNEKKAKKVRF YRNGDRYFKGIVYAVSSDRF RSFDALLADLTRSLSDNINL PQGVRYIYTIDGSRKIGSMD ELEEGESYVCSSDNFFKKVE YTKNVNPNWSVNV ; _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 113 _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 12000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'artificial seven residues at N-terminus.' _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 1MJD . "Structure Of N-Terminal Domain Of Human Doublecortin" . . . . . 100.00 113 100.00 100.00 1.09e-75 . . . . 5482 1 2 no PDB 2BQQ . "X-ray Structure Of The N-terminal Domain Of Human Doublecortin" . . . . . 100.00 113 98.23 98.23 7.28e-74 . . . . 5482 1 3 no PDB 2XRP . "Human Doublecortin N-Dc Repeat (1mjd) And Mammalian Tubulin (1jff And 3hke) Docked Into The 8-Angstrom Cryo-Em Map Of Doublecor" . . . . . 83.19 95 100.00 100.00 1.31e-59 . . . . 5482 1 4 no PDB 4ATU . "Human Doublecortin N-Dc Repeat Plus Linker, And Tubulin (2xrp) Docked Into An 8a Cryo-Em Map Of Doublecortin-Stabilised Microtu" . . . . . 93.81 373 100.00 100.00 6.24e-68 . . . . 5482 1 5 no DBJ BAA33387 . "doublecortin [Mus musculus]" . . . . . 93.81 366 100.00 100.00 3.76e-68 . . . . 5482 1 6 no DBJ BAB29230 . "unnamed protein product [Mus musculus]" . . . . . 93.81 360 100.00 100.00 2.81e-68 . . . . 5482 1 7 no DBJ BAC33328 . "unnamed protein product [Mus musculus]" . . . . . 93.81 379 100.00 100.00 6.70e-68 . . . . 5482 1 8 no DBJ BAE37637 . "unnamed protein product [Mus musculus]" . . . . . 93.81 365 100.00 100.00 3.18e-68 . . . . 5482 1 9 no DBJ BAE43338 . "unnamed protein product [Mus musculus]" . . . . . 93.81 331 100.00 100.00 5.35e-68 . . . . 5482 1 10 no EMBL CAA05867 . "doublecortin [Homo sapiens]" . . . . . 93.81 360 100.00 100.00 2.69e-68 . . . . 5482 1 11 no EMBL CAA06617 . "doublecortin [Homo sapiens]" . . . . . 93.81 360 100.00 100.00 2.69e-68 . . . . 5482 1 12 no EMBL CAC38099 . "double-cortin [Spalax judaei]" . . . . . 93.81 365 100.00 100.00 3.46e-68 . . . . 5482 1 13 no GB AAC31696 . "doublecortin [Homo sapiens]" . . . . . 93.81 360 100.00 100.00 2.69e-68 . . . . 5482 1 14 no GB AAC31797 . "doublecortin isoform [Homo sapiens]" . . . . . 93.81 365 100.00 100.00 3.25e-68 . . . . 5482 1 15 no GB AAC31799 . "doublecortin [Mus musculus]" . . . . . 93.81 365 100.00 100.00 3.66e-68 . . . . 5482 1 16 no GB AAC52037 . "doublecortin [Homo sapiens]" . . . . . 93.81 360 100.00 100.00 2.69e-68 . . . . 5482 1 17 no GB AAG18479 . "neuronal migration protein doublecortin [Rattus norvegicus]" . . . . . 93.81 365 99.06 99.06 2.05e-66 . . . . 5482 1 18 no REF NP_000546 . "neuronal migration protein doublecortin isoform a [Homo sapiens]" . . . . . 93.81 441 100.00 100.00 9.61e-68 . . . . 5482 1 19 no REF NP_001103692 . "neuronal migration protein doublecortin isoform a [Mus musculus]" . . . . . 93.81 366 100.00 100.00 3.76e-68 . . . . 5482 1 20 no REF NP_001103693 . "neuronal migration protein doublecortin isoform a [Mus musculus]" . . . . . 93.81 366 100.00 100.00 3.76e-68 . . . . 5482 1 21 no REF NP_001103694 . "neuronal migration protein doublecortin isoform b [Mus musculus]" . . . . . 93.81 365 100.00 100.00 3.18e-68 . . . . 5482 1 22 no REF NP_001182482 . "neuronal migration protein doublecortin isoform d [Homo sapiens]" . . . . . 93.81 366 100.00 100.00 3.45e-68 . . . . 5482 1 23 no SP O43602 . "RecName: Full=Neuronal migration protein doublecortin; AltName: Full=Doublin; AltName: Full=Lissencephalin-X; Short=Lis-X [Homo" . . . . . 93.81 441 100.00 100.00 9.61e-68 . . . . 5482 1 24 no SP O88809 . "RecName: Full=Neuronal migration protein doublecortin; AltName: Full=Doublin; AltName: Full=Lissencephalin-X; Short=Lis-X [Mus " . . . . . 93.81 366 100.00 100.00 3.76e-68 . . . . 5482 1 25 no SP Q9ESI7 . "RecName: Full=Neuronal migration protein doublecortin [Rattus norvegicus]" . . . . . 93.81 365 99.06 99.06 2.05e-66 . . . . 5482 1 26 no TPG DAA13014 . "TPA: doublecortin-like [Bos taurus]" . . . . . 93.81 434 100.00 100.00 9.85e-68 . . . . 5482 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID doublecortin common 5482 1 DC abbreviation 5482 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 38 GLY . 5482 1 2 39 ALA . 5482 1 3 40 MET . 5482 1 4 41 ASP . 5482 1 5 42 PRO . 5482 1 6 43 GLU . 5482 1 7 44 PHE . 5482 1 8 45 ALA . 5482 1 9 46 LEU . 5482 1 10 47 SER . 5482 1 11 48 ASN . 5482 1 12 49 GLU . 5482 1 13 50 LYS . 5482 1 14 51 LYS . 5482 1 15 52 ALA . 5482 1 16 53 LYS . 5482 1 17 54 LYS . 5482 1 18 55 VAL . 5482 1 19 56 ARG . 5482 1 20 57 PHE . 5482 1 21 58 TYR . 5482 1 22 59 ARG . 5482 1 23 60 ASN . 5482 1 24 61 GLY . 5482 1 25 62 ASP . 5482 1 26 63 ARG . 5482 1 27 64 TYR . 5482 1 28 65 PHE . 5482 1 29 66 LYS . 5482 1 30 67 GLY . 5482 1 31 68 ILE . 5482 1 32 69 VAL . 5482 1 33 70 TYR . 5482 1 34 71 ALA . 5482 1 35 72 VAL . 5482 1 36 73 SER . 5482 1 37 74 SER . 5482 1 38 75 ASP . 5482 1 39 76 ARG . 5482 1 40 77 PHE . 5482 1 41 78 ARG . 5482 1 42 79 SER . 5482 1 43 80 PHE . 5482 1 44 81 ASP . 5482 1 45 82 ALA . 5482 1 46 83 LEU . 5482 1 47 84 LEU . 5482 1 48 85 ALA . 5482 1 49 86 ASP . 5482 1 50 87 LEU . 5482 1 51 88 THR . 5482 1 52 89 ARG . 5482 1 53 90 SER . 5482 1 54 91 LEU . 5482 1 55 92 SER . 5482 1 56 93 ASP . 5482 1 57 94 ASN . 5482 1 58 95 ILE . 5482 1 59 96 ASN . 5482 1 60 97 LEU . 5482 1 61 98 PRO . 5482 1 62 99 GLN . 5482 1 63 100 GLY . 5482 1 64 101 VAL . 5482 1 65 102 ARG . 5482 1 66 103 TYR . 5482 1 67 104 ILE . 5482 1 68 105 TYR . 5482 1 69 106 THR . 5482 1 70 107 ILE . 5482 1 71 108 ASP . 5482 1 72 109 GLY . 5482 1 73 110 SER . 5482 1 74 111 ARG . 5482 1 75 112 LYS . 5482 1 76 113 ILE . 5482 1 77 114 GLY . 5482 1 78 115 SER . 5482 1 79 116 MET . 5482 1 80 117 ASP . 5482 1 81 118 GLU . 5482 1 82 119 LEU . 5482 1 83 120 GLU . 5482 1 84 121 GLU . 5482 1 85 122 GLY . 5482 1 86 123 GLU . 5482 1 87 124 SER . 5482 1 88 125 TYR . 5482 1 89 126 VAL . 5482 1 90 127 CYS . 5482 1 91 128 SER . 5482 1 92 129 SER . 5482 1 93 130 ASP . 5482 1 94 131 ASN . 5482 1 95 132 PHE . 5482 1 96 133 PHE . 5482 1 97 134 LYS . 5482 1 98 135 LYS . 5482 1 99 136 VAL . 5482 1 100 137 GLU . 5482 1 101 138 TYR . 5482 1 102 139 THR . 5482 1 103 140 LYS . 5482 1 104 141 ASN . 5482 1 105 142 VAL . 5482 1 106 143 ASN . 5482 1 107 144 PRO . 5482 1 108 145 ASN . 5482 1 109 146 TRP . 5482 1 110 147 SER . 5482 1 111 148 VAL . 5482 1 112 149 ASN . 5482 1 113 150 VAL . 5482 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 5482 1 . ALA 2 2 5482 1 . MET 3 3 5482 1 . ASP 4 4 5482 1 . PRO 5 5 5482 1 . GLU 6 6 5482 1 . PHE 7 7 5482 1 . ALA 8 8 5482 1 . LEU 9 9 5482 1 . SER 10 10 5482 1 . ASN 11 11 5482 1 . GLU 12 12 5482 1 . LYS 13 13 5482 1 . LYS 14 14 5482 1 . ALA 15 15 5482 1 . LYS 16 16 5482 1 . LYS 17 17 5482 1 . VAL 18 18 5482 1 . ARG 19 19 5482 1 . PHE 20 20 5482 1 . TYR 21 21 5482 1 . ARG 22 22 5482 1 . ASN 23 23 5482 1 . GLY 24 24 5482 1 . ASP 25 25 5482 1 . ARG 26 26 5482 1 . TYR 27 27 5482 1 . PHE 28 28 5482 1 . LYS 29 29 5482 1 . GLY 30 30 5482 1 . ILE 31 31 5482 1 . VAL 32 32 5482 1 . TYR 33 33 5482 1 . ALA 34 34 5482 1 . VAL 35 35 5482 1 . SER 36 36 5482 1 . SER 37 37 5482 1 . ASP 38 38 5482 1 . ARG 39 39 5482 1 . PHE 40 40 5482 1 . ARG 41 41 5482 1 . SER 42 42 5482 1 . PHE 43 43 5482 1 . ASP 44 44 5482 1 . ALA 45 45 5482 1 . LEU 46 46 5482 1 . LEU 47 47 5482 1 . ALA 48 48 5482 1 . ASP 49 49 5482 1 . LEU 50 50 5482 1 . THR 51 51 5482 1 . ARG 52 52 5482 1 . SER 53 53 5482 1 . LEU 54 54 5482 1 . SER 55 55 5482 1 . ASP 56 56 5482 1 . ASN 57 57 5482 1 . ILE 58 58 5482 1 . ASN 59 59 5482 1 . LEU 60 60 5482 1 . PRO 61 61 5482 1 . GLN 62 62 5482 1 . GLY 63 63 5482 1 . VAL 64 64 5482 1 . ARG 65 65 5482 1 . TYR 66 66 5482 1 . ILE 67 67 5482 1 . TYR 68 68 5482 1 . THR 69 69 5482 1 . ILE 70 70 5482 1 . ASP 71 71 5482 1 . GLY 72 72 5482 1 . SER 73 73 5482 1 . ARG 74 74 5482 1 . LYS 75 75 5482 1 . ILE 76 76 5482 1 . GLY 77 77 5482 1 . SER 78 78 5482 1 . MET 79 79 5482 1 . ASP 80 80 5482 1 . GLU 81 81 5482 1 . LEU 82 82 5482 1 . GLU 83 83 5482 1 . GLU 84 84 5482 1 . GLY 85 85 5482 1 . GLU 86 86 5482 1 . SER 87 87 5482 1 . TYR 88 88 5482 1 . VAL 89 89 5482 1 . CYS 90 90 5482 1 . SER 91 91 5482 1 . SER 92 92 5482 1 . ASP 93 93 5482 1 . ASN 94 94 5482 1 . PHE 95 95 5482 1 . PHE 96 96 5482 1 . LYS 97 97 5482 1 . LYS 98 98 5482 1 . VAL 99 99 5482 1 . GLU 100 100 5482 1 . TYR 101 101 5482 1 . THR 102 102 5482 1 . LYS 103 103 5482 1 . ASN 104 104 5482 1 . VAL 105 105 5482 1 . ASN 106 106 5482 1 . PRO 107 107 5482 1 . ASN 108 108 5482 1 . TRP 109 109 5482 1 . SER 110 110 5482 1 . VAL 111 111 5482 1 . ASN 112 112 5482 1 . VAL 113 113 5482 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 5482 _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 $DC_45-150 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . brain 'nervous cells' . . . . . . . . . . . doublecortin . . . . 5482 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 5482 _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 $DC_45-150 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5482 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5482 _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 doublecortin '[U-13C; U-15N]' . . 1 $DC_45-150 . . 1.0 . . mM . . . . 5482 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5482 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 doublecortin [U-15N] . . 1 $DC_45-150 . . 1.0 . . mM . . . . 5482 2 stop_ save_ ####################### # Sample conditions # ####################### save_DC_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode DC_cond_1 _Sample_condition_list.Entry_ID 5482 _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 6.0 0.2 n/a 5482 1 temperature 298 1 K 5482 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5482 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5482 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 5482 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5482 _Software.ID 2 _Software.Name Sparky _Software.Version 3.100 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'assignment and analysis' 5482 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 5482 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5482 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5482 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 500 . . . 5482 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 5482 _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 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 3 HNCO . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 4 HNCACB . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 6 CC(CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 7 HC(CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 8 HNHA . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 10 HACAHB . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 11 '15N NOESY' . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 12 '13C NOESY' . . . . . . . . . . . . . . . . 1 $DC_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5482 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HACAHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5482 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5482 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5482 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5482 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5482 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 5482 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $DC_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5482 1 . . 2 $sample_2 . 5482 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 43.7 0.05 . 1 . . . . 38 . . . 5482 1 2 . 1 1 1 1 GLY HA2 H 1 3.84 0.01 . 1 . . . . 38 . . . 5482 1 3 . 1 1 1 1 GLY HA3 H 1 3.84 0.01 . 1 . . . . 38 . . . 5482 1 4 . 1 1 2 2 ALA N N 15 123.4 0.05 . 1 . . . . 39 . . . 5482 1 5 . 1 1 2 2 ALA H H 1 8.62 0.01 . 1 . . . . 39 . . . 5482 1 6 . 1 1 2 2 ALA CA C 13 53.4 0.05 . 1 . . . . 39 . . . 5482 1 7 . 1 1 2 2 ALA HA H 1 4.22 0.01 . 1 . . . . 39 . . . 5482 1 8 . 1 1 2 2 ALA HB1 H 1 1.36 0.01 . 1 . . . . 39 . . . 5482 1 9 . 1 1 2 2 ALA HB2 H 1 1.36 0.01 . 1 . . . . 39 . . . 5482 1 10 . 1 1 2 2 ALA HB3 H 1 1.36 0.01 . 1 . . . . 39 . . . 5482 1 11 . 1 1 2 2 ALA CB C 13 19.6 0.05 . 1 . . . . 39 . . . 5482 1 12 . 1 1 3 3 MET N N 15 118.2 0.05 . 1 . . . . 40 . . . 5482 1 13 . 1 1 3 3 MET H H 1 8.46 0.01 . 1 . . . . 40 . . . 5482 1 14 . 1 1 3 3 MET CA C 13 55.4 0.05 . 1 . . . . 40 . . . 5482 1 15 . 1 1 3 3 MET HA H 1 4.48 0.01 . 1 . . . . 40 . . . 5482 1 16 . 1 1 3 3 MET CB C 13 33.0 0.05 . 1 . . . . 40 . . . 5482 1 17 . 1 1 3 3 MET HB2 H 1 2.08 0.01 . 2 . . . . 40 . . . 5482 1 18 . 1 1 3 3 MET HB3 H 1 1.97 0.01 . 2 . . . . 40 . . . 5482 1 19 . 1 1 3 3 MET CG C 13 32.4 0.05 . 1 . . . . 40 . . . 5482 1 20 . 1 1 3 3 MET HG2 H 1 2.57 0.01 . 2 . . . . 40 . . . 5482 1 21 . 1 1 3 3 MET HG3 H 1 2.50 0.01 . 2 . . . . 40 . . . 5482 1 22 . 1 1 4 4 ASP N N 15 123.2 0.05 . 1 . . . . 41 . . . 5482 1 23 . 1 1 4 4 ASP H H 1 8.15 0.01 . 1 . . . . 41 . . . 5482 1 24 . 1 1 4 4 ASP CA C 13 53.1 0.05 . 1 . . . . 41 . . . 5482 1 25 . 1 1 4 4 ASP HA H 1 4.84 0.01 . 1 . . . . 41 . . . 5482 1 26 . 1 1 4 4 ASP CB C 13 41.2 0.05 . 1 . . . . 41 . . . 5482 1 27 . 1 1 4 4 ASP HB2 H 1 2.74 0.01 . 2 . . . . 41 . . . 5482 1 28 . 1 1 4 4 ASP HB3 H 1 2.57 0.01 . 2 . . . . 41 . . . 5482 1 29 . 1 1 5 5 PRO CD C 13 51.2 0.05 . 1 . . . . 42 . . . 5482 1 30 . 1 1 5 5 PRO CA C 13 64.2 0.05 . 1 . . . . 42 . . . 5482 1 31 . 1 1 5 5 PRO HA H 1 4.35 0.01 . 1 . . . . 42 . . . 5482 1 32 . 1 1 5 5 PRO CB C 13 32.5 0.05 . 1 . . . . 42 . . . 5482 1 33 . 1 1 5 5 PRO HB2 H 1 2.26 0.01 . 2 . . . . 42 . . . 5482 1 34 . 1 1 5 5 PRO HB3 H 1 1.86 0.01 . 2 . . . . 42 . . . 5482 1 35 . 1 1 5 5 PRO CG C 13 27.7 0.05 . 1 . . . . 42 . . . 5482 1 36 . 1 1 5 5 PRO HG2 H 1 2.01 0.01 . 1 . . . . 42 . . . 5482 1 37 . 1 1 5 5 PRO HG3 H 1 2.01 0.01 . 1 . . . . 42 . . . 5482 1 38 . 1 1 5 5 PRO HD2 H 1 3.85 0.01 . 2 . . . . 42 . . . 5482 1 39 . 1 1 5 5 PRO HD3 H 1 3.76 0.01 . 2 . . . . 42 . . . 5482 1 40 . 1 1 6 6 GLU N N 15 119.6 0.05 . 1 . . . . 43 . . . 5482 1 41 . 1 1 6 6 GLU H H 1 8.53 0.01 . 1 . . . . 43 . . . 5482 1 42 . 1 1 6 6 GLU CA C 13 57.6 0.05 . 1 . . . . 43 . . . 5482 1 43 . 1 1 6 6 GLU HA H 1 4.11 0.01 . 1 . . . . 43 . . . 5482 1 44 . 1 1 6 6 GLU CB C 13 30.1 0.05 . 1 . . . . 43 . . . 5482 1 45 . 1 1 6 6 GLU HB2 H 1 1.87 0.01 . 1 . . . . 43 . . . 5482 1 46 . 1 1 6 6 GLU HB3 H 1 1.87 0.01 . 1 . . . . 43 . . . 5482 1 47 . 1 1 6 6 GLU CG C 13 36.6 0.05 . 1 . . . . 43 . . . 5482 1 48 . 1 1 6 6 GLU HG2 H 1 2.15 0.01 . 2 . . . . 43 . . . 5482 1 49 . 1 1 6 6 GLU HG3 H 1 2.05 0.01 . 2 . . . . 43 . . . 5482 1 50 . 1 1 7 7 PHE N N 15 120.1 0.05 . 1 . . . . 44 . . . 5482 1 51 . 1 1 7 7 PHE H H 1 7.98 0.01 . 1 . . . . 44 . . . 5482 1 52 . 1 1 7 7 PHE CA C 13 58.4 0.05 . 1 . . . . 44 . . . 5482 1 53 . 1 1 7 7 PHE HA H 1 4.54 0.01 . 1 . . . . 44 . . . 5482 1 54 . 1 1 7 7 PHE CB C 13 39.8 0.05 . 1 . . . . 44 . . . 5482 1 55 . 1 1 7 7 PHE HB2 H 1 3.17 0.01 . 2 . . . . 44 . . . 5482 1 56 . 1 1 7 7 PHE HB3 H 1 3.03 0.01 . 2 . . . . 44 . . . 5482 1 57 . 1 1 7 7 PHE HD1 H 1 7.24 0.01 . 1 . . . . 44 . . . 5482 1 58 . 1 1 7 7 PHE HD2 H 1 7.24 0.01 . 1 . . . . 44 . . . 5482 1 59 . 1 1 7 7 PHE HE1 H 1 7.33 0.01 . 1 . . . . 44 . . . 5482 1 60 . 1 1 7 7 PHE HE2 H 1 7.33 0.01 . 1 . . . . 44 . . . 5482 1 61 . 1 1 7 7 PHE CD1 C 13 132.0 0.05 . 1 . . . . 44 . . . 5482 1 62 . 1 1 7 7 PHE CE1 C 13 131.8 0.05 . 1 . . . . 44 . . . 5482 1 63 . 1 1 8 8 ALA N N 15 124.6 0.05 . 1 . . . . 45 . . . 5482 1 64 . 1 1 8 8 ALA H H 1 8.04 0.01 . 1 . . . . 45 . . . 5482 1 65 . 1 1 8 8 ALA CA C 13 53.1 0.05 . 1 . . . . 45 . . . 5482 1 66 . 1 1 8 8 ALA HA H 1 4.24 0.01 . 1 . . . . 45 . . . 5482 1 67 . 1 1 8 8 ALA HB1 H 1 1.34 0.01 . 1 . . . . 45 . . . 5482 1 68 . 1 1 8 8 ALA HB2 H 1 1.34 0.01 . 1 . . . . 45 . . . 5482 1 69 . 1 1 8 8 ALA HB3 H 1 1.34 0.01 . 1 . . . . 45 . . . 5482 1 70 . 1 1 8 8 ALA CB C 13 19.6 0.05 . 1 . . . . 45 . . . 5482 1 71 . 1 1 9 9 LEU N N 15 120.7 0.05 . 1 . . . . 46 . . . 5482 1 72 . 1 1 9 9 LEU H H 1 8.05 0.01 . 1 . . . . 46 . . . 5482 1 73 . 1 1 9 9 LEU CA C 13 55.7 0.05 . 1 . . . . 46 . . . 5482 1 74 . 1 1 9 9 LEU HA H 1 4.30 0.01 . 1 . . . . 46 . . . 5482 1 75 . 1 1 9 9 LEU CB C 13 42.6 0.05 . 1 . . . . 46 . . . 5482 1 76 . 1 1 9 9 LEU HB2 H 1 1.63 0.01 . 1 . . . . 46 . . . 5482 1 77 . 1 1 9 9 LEU HB3 H 1 1.63 0.01 . 1 . . . . 46 . . . 5482 1 78 . 1 1 9 9 LEU CG C 13 27.3 0.05 . 1 . . . . 46 . . . 5482 1 79 . 1 1 9 9 LEU HG H 1 1.64 0.01 . 1 . . . . 46 . . . 5482 1 80 . 1 1 9 9 LEU HD11 H 1 0.93 0.01 . 1 . . . . 46 . . . 5482 1 81 . 1 1 9 9 LEU HD12 H 1 0.93 0.01 . 1 . . . . 46 . . . 5482 1 82 . 1 1 9 9 LEU HD13 H 1 0.93 0.01 . 1 . . . . 46 . . . 5482 1 83 . 1 1 9 9 LEU HD21 H 1 0.88 0.01 . 1 . . . . 46 . . . 5482 1 84 . 1 1 9 9 LEU HD22 H 1 0.88 0.01 . 1 . . . . 46 . . . 5482 1 85 . 1 1 9 9 LEU HD23 H 1 0.88 0.01 . 1 . . . . 46 . . . 5482 1 86 . 1 1 9 9 LEU CD1 C 13 25.4 0.05 . 1 . . . . 46 . . . 5482 1 87 . 1 1 9 9 LEU CD2 C 13 23.9 0.05 . 1 . . . . 46 . . . 5482 1 88 . 1 1 10 10 SER N N 15 115.7 0.05 . 1 . . . . 47 . . . 5482 1 89 . 1 1 10 10 SER H H 1 8.14 0.01 . 1 . . . . 47 . . . 5482 1 90 . 1 1 10 10 SER CA C 13 58.9 0.05 . 1 . . . . 47 . . . 5482 1 91 . 1 1 10 10 SER HA H 1 4.38 0.01 . 1 . . . . 47 . . . 5482 1 92 . 1 1 10 10 SER CB C 13 64.1 0.05 . 1 . . . . 47 . . . 5482 1 93 . 1 1 10 10 SER HB2 H 1 3.90 0.01 . 2 . . . . 47 . . . 5482 1 94 . 1 1 10 10 SER HB3 H 1 3.83 0.01 . 2 . . . . 47 . . . 5482 1 95 . 1 1 11 11 ASN N N 15 120.8 0.05 . 1 . . . . 48 . . . 5482 1 96 . 1 1 11 11 ASN H H 1 8.42 0.01 . 1 . . . . 48 . . . 5482 1 97 . 1 1 11 11 ASN CA C 13 54.0 0.05 . 1 . . . . 48 . . . 5482 1 98 . 1 1 11 11 ASN HA H 1 4.67 0.01 . 1 . . . . 48 . . . 5482 1 99 . 1 1 11 11 ASN CB C 13 39.2 0.05 . 1 . . . . 48 . . . 5482 1 100 . 1 1 11 11 ASN HB2 H 1 2.80 0.01 . 2 . . . . 48 . . . 5482 1 101 . 1 1 11 11 ASN HB3 H 1 2.73 0.01 . 2 . . . . 48 . . . 5482 1 102 . 1 1 11 11 ASN HD21 H 1 7.58 0.01 . 2 . . . . 48 . . . 5482 1 103 . 1 1 12 12 GLU N N 15 120.9 0.05 . 1 . . . . 49 . . . 5482 1 104 . 1 1 12 12 GLU H H 1 8.30 0.01 . 1 . . . . 49 . . . 5482 1 105 . 1 1 12 12 GLU CA C 13 57.5 0.05 . 1 . . . . 49 . . . 5482 1 106 . 1 1 12 12 GLU HA H 1 4.22 0.01 . 1 . . . . 49 . . . 5482 1 107 . 1 1 12 12 GLU CB C 13 30.5 0.05 . 1 . . . . 49 . . . 5482 1 108 . 1 1 12 12 GLU HB2 H 1 2.03 0.01 . 2 . . . . 49 . . . 5482 1 109 . 1 1 12 12 GLU HB3 H 1 1.95 0.01 . 2 . . . . 49 . . . 5482 1 110 . 1 1 12 12 GLU CG C 13 36.6 0.05 . 1 . . . . 49 . . . 5482 1 111 . 1 1 12 12 GLU HG2 H 1 2.25 0.01 . 2 . . . . 49 . . . 5482 1 112 . 1 1 12 12 GLU HG3 H 1 2.22 0.01 . 2 . . . . 49 . . . 5482 1 113 . 1 1 13 13 LYS N N 15 121.6 0.05 . 1 . . . . 50 . . . 5482 1 114 . 1 1 13 13 LYS H H 1 8.26 0.01 . 1 . . . . 50 . . . 5482 1 115 . 1 1 13 13 LYS CA C 13 56.4 0.05 . 1 . . . . 50 . . . 5482 1 116 . 1 1 13 13 LYS HA H 1 4.31 0.01 . 1 . . . . 50 . . . 5482 1 117 . 1 1 13 13 LYS CB C 13 33.0 0.05 . 1 . . . . 50 . . . 5482 1 118 . 1 1 13 13 LYS HB2 H 1 1.86 0.01 . 2 . . . . 50 . . . 5482 1 119 . 1 1 13 13 LYS HB3 H 1 1.75 0.01 . 2 . . . . 50 . . . 5482 1 120 . 1 1 13 13 LYS CG C 13 25.3 0.05 . 1 . . . . 50 . . . 5482 1 121 . 1 1 13 13 LYS HG2 H 1 1.43 0.01 . 1 . . . . 50 . . . 5482 1 122 . 1 1 13 13 LYS HG3 H 1 1.43 0.01 . 1 . . . . 50 . . . 5482 1 123 . 1 1 13 13 LYS CD C 13 29.4 0.05 . 1 . . . . 50 . . . 5482 1 124 . 1 1 13 13 LYS HD2 H 1 1.67 0.01 . 1 . . . . 50 . . . 5482 1 125 . 1 1 13 13 LYS HD3 H 1 1.67 0.01 . 1 . . . . 50 . . . 5482 1 126 . 1 1 13 13 LYS CE C 13 42.5 0.05 . 1 . . . . 50 . . . 5482 1 127 . 1 1 13 13 LYS HE2 H 1 2.98 0.01 . 1 . . . . 50 . . . 5482 1 128 . 1 1 13 13 LYS HE3 H 1 2.98 0.01 . 1 . . . . 50 . . . 5482 1 129 . 1 1 14 14 LYS N N 15 122.0 0.05 . 1 . . . . 51 . . . 5482 1 130 . 1 1 14 14 LYS H H 1 8.13 0.01 . 1 . . . . 51 . . . 5482 1 131 . 1 1 14 14 LYS CA C 13 56.7 0.05 . 1 . . . . 51 . . . 5482 1 132 . 1 1 14 14 LYS HA H 1 4.27 0.01 . 1 . . . . 51 . . . 5482 1 133 . 1 1 14 14 LYS CB C 13 33.4 0.05 . 1 . . . . 51 . . . 5482 1 134 . 1 1 14 14 LYS HB2 H 1 1.85 0.01 . 2 . . . . 51 . . . 5482 1 135 . 1 1 14 14 LYS HB3 H 1 1.77 0.01 . 2 . . . . 51 . . . 5482 1 136 . 1 1 14 14 LYS CG C 13 25.1 0.05 . 1 . . . . 51 . . . 5482 1 137 . 1 1 14 14 LYS HG2 H 1 1.44 0.01 . 1 . . . . 51 . . . 5482 1 138 . 1 1 14 14 LYS HG3 H 1 1.44 0.01 . 1 . . . . 51 . . . 5482 1 139 . 1 1 14 14 LYS CD C 13 29.4 0.05 . 1 . . . . 51 . . . 5482 1 140 . 1 1 14 14 LYS HD2 H 1 1.68 0.01 . 1 . . . . 51 . . . 5482 1 141 . 1 1 14 14 LYS HD3 H 1 1.68 0.01 . 1 . . . . 51 . . . 5482 1 142 . 1 1 14 14 LYS CE C 13 42.5 0.05 . 1 . . . . 51 . . . 5482 1 143 . 1 1 14 14 LYS HE2 H 1 2.99 0.01 . 1 . . . . 51 . . . 5482 1 144 . 1 1 14 14 LYS HE3 H 1 2.99 0.01 . 1 . . . . 51 . . . 5482 1 145 . 1 1 15 15 ALA N N 15 125.2 0.05 . 1 . . . . 52 . . . 5482 1 146 . 1 1 15 15 ALA H H 1 8.33 0.01 . 1 . . . . 52 . . . 5482 1 147 . 1 1 15 15 ALA CA C 13 52.0 0.05 . 1 . . . . 52 . . . 5482 1 148 . 1 1 15 15 ALA HA H 1 4.52 0.01 . 1 . . . . 52 . . . 5482 1 149 . 1 1 15 15 ALA HB1 H 1 1.25 0.01 . 1 . . . . 52 . . . 5482 1 150 . 1 1 15 15 ALA HB2 H 1 1.25 0.01 . 1 . . . . 52 . . . 5482 1 151 . 1 1 15 15 ALA HB3 H 1 1.25 0.01 . 1 . . . . 52 . . . 5482 1 152 . 1 1 15 15 ALA CB C 13 20.5 0.05 . 1 . . . . 52 . . . 5482 1 153 . 1 1 16 16 LYS N N 15 121.4 0.05 . 1 . . . . 53 . . . 5482 1 154 . 1 1 16 16 LYS H H 1 8.35 0.01 . 1 . . . . 53 . . . 5482 1 155 . 1 1 16 16 LYS HA H 1 4.73 0.01 . 1 . . . . 53 . . . 5482 1 156 . 1 1 16 16 LYS CB C 13 35.4 0.05 . 1 . . . . 53 . . . 5482 1 157 . 1 1 16 16 LYS HB2 H 1 1.69 0.01 . 2 . . . . 53 . . . 5482 1 158 . 1 1 16 16 LYS HB3 H 1 1.54 0.01 . 2 . . . . 53 . . . 5482 1 159 . 1 1 16 16 LYS CG C 13 25.3 0.05 . 1 . . . . 53 . . . 5482 1 160 . 1 1 16 16 LYS HG2 H 1 1.53 0.01 . 2 . . . . 53 . . . 5482 1 161 . 1 1 16 16 LYS HG3 H 1 1.50 0.01 . 2 . . . . 53 . . . 5482 1 162 . 1 1 16 16 LYS CD C 13 30.4 0.05 . 1 . . . . 53 . . . 5482 1 163 . 1 1 16 16 LYS HD2 H 1 1.56 0.01 . 2 . . . . 53 . . . 5482 1 164 . 1 1 16 16 LYS HD3 H 1 1.53 0.01 . 2 . . . . 53 . . . 5482 1 165 . 1 1 16 16 LYS CE C 13 42.5 0.05 . 1 . . . . 53 . . . 5482 1 166 . 1 1 16 16 LYS HE2 H 1 3.07 0.01 . 2 . . . . 53 . . . 5482 1 167 . 1 1 16 16 LYS HE3 H 1 2.93 0.01 . 2 . . . . 53 . . . 5482 1 168 . 1 1 17 17 LYS N N 15 125.8 0.05 . 1 . . . . 54 . . . 5482 1 169 . 1 1 17 17 LYS H H 1 9.19 0.01 . 1 . . . . 54 . . . 5482 1 170 . 1 1 17 17 LYS CA C 13 56.3 0.05 . 1 . . . . 54 . . . 5482 1 171 . 1 1 17 17 LYS HA H 1 5.41 0.01 . 1 . . . . 54 . . . 5482 1 172 . 1 1 17 17 LYS CB C 13 33.5 0.05 . 1 . . . . 54 . . . 5482 1 173 . 1 1 17 17 LYS HB2 H 1 1.97 0.01 . 2 . . . . 54 . . . 5482 1 174 . 1 1 17 17 LYS HB3 H 1 1.68 0.01 . 2 . . . . 54 . . . 5482 1 175 . 1 1 17 17 LYS CG C 13 25.6 0.05 . 1 . . . . 54 . . . 5482 1 176 . 1 1 17 17 LYS HG2 H 1 1.60 0.01 . 2 . . . . 54 . . . 5482 1 177 . 1 1 17 17 LYS HG3 H 1 1.34 0.01 . 2 . . . . 54 . . . 5482 1 178 . 1 1 17 17 LYS CD C 13 29.7 0.05 . 1 . . . . 54 . . . 5482 1 179 . 1 1 17 17 LYS HD2 H 1 1.75 0.01 . 2 . . . . 54 . . . 5482 1 180 . 1 1 17 17 LYS HD3 H 1 1.68 0.01 . 2 . . . . 54 . . . 5482 1 181 . 1 1 17 17 LYS CE C 13 42.2 0.05 . 1 . . . . 54 . . . 5482 1 182 . 1 1 17 17 LYS HE2 H 1 2.99 0.01 . 1 . . . . 54 . . . 5482 1 183 . 1 1 17 17 LYS HE3 H 1 2.99 0.01 . 1 . . . . 54 . . . 5482 1 184 . 1 1 18 18 VAL N N 15 118.6 0.05 . 1 . . . . 55 . . . 5482 1 185 . 1 1 18 18 VAL H H 1 8.76 0.01 . 1 . . . . 55 . . . 5482 1 186 . 1 1 18 18 VAL CA C 13 59.6 0.05 . 1 . . . . 55 . . . 5482 1 187 . 1 1 18 18 VAL HA H 1 5.05 0.01 . 1 . . . . 55 . . . 5482 1 188 . 1 1 18 18 VAL CB C 13 36.1 0.05 . 1 . . . . 55 . . . 5482 1 189 . 1 1 18 18 VAL HB H 1 1.99 0.01 . 1 . . . . 55 . . . 5482 1 190 . 1 1 18 18 VAL HG11 H 1 0.83 0.01 . 1 . . . . 55 . . . 5482 1 191 . 1 1 18 18 VAL HG12 H 1 0.83 0.01 . 1 . . . . 55 . . . 5482 1 192 . 1 1 18 18 VAL HG13 H 1 0.83 0.01 . 1 . . . . 55 . . . 5482 1 193 . 1 1 18 18 VAL HG21 H 1 0.46 0.01 . 1 . . . . 55 . . . 5482 1 194 . 1 1 18 18 VAL HG22 H 1 0.46 0.01 . 1 . . . . 55 . . . 5482 1 195 . 1 1 18 18 VAL HG23 H 1 0.46 0.01 . 1 . . . . 55 . . . 5482 1 196 . 1 1 18 18 VAL CG1 C 13 23.7 0.05 . 1 . . . . 55 . . . 5482 1 197 . 1 1 18 18 VAL CG2 C 13 21.0 0.05 . 1 . . . . 55 . . . 5482 1 198 . 1 1 19 19 ARG N N 15 123.2 0.05 . 1 . . . . 56 . . . 5482 1 199 . 1 1 19 19 ARG H H 1 8.05 0.01 . 1 . . . . 56 . . . 5482 1 200 . 1 1 19 19 ARG CA C 13 54.8 0.05 . 1 . . . . 56 . . . 5482 1 201 . 1 1 19 19 ARG HA H 1 4.90 0.01 . 1 . . . . 56 . . . 5482 1 202 . 1 1 19 19 ARG CB C 13 33.4 0.05 . 1 . . . . 56 . . . 5482 1 203 . 1 1 19 19 ARG HB2 H 1 1.61 0.01 . 2 . . . . 56 . . . 5482 1 204 . 1 1 19 19 ARG HB3 H 1 0.41 0.01 . 2 . . . . 56 . . . 5482 1 205 . 1 1 19 19 ARG CG C 13 28.8 0.05 . 1 . . . . 56 . . . 5482 1 206 . 1 1 19 19 ARG HG2 H 1 0.63 0.01 . 2 . . . . 56 . . . 5482 1 207 . 1 1 19 19 ARG HG3 H 1 0.53 0.01 . 2 . . . . 56 . . . 5482 1 208 . 1 1 19 19 ARG CD C 13 43.3 0.05 . 1 . . . . 56 . . . 5482 1 209 . 1 1 19 19 ARG HD2 H 1 2.80 0.01 . 1 . . . . 56 . . . 5482 1 210 . 1 1 19 19 ARG HD3 H 1 2.80 0.01 . 1 . . . . 56 . . . 5482 1 211 . 1 1 19 19 ARG NE N 15 83.1 0.05 . 1 . . . . 56 . . . 5482 1 212 . 1 1 19 19 ARG HE H 1 6.41 0.01 . 1 . . . . 56 . . . 5482 1 213 . 1 1 20 20 PHE N N 15 122.8 0.05 . 1 . . . . 57 . . . 5482 1 214 . 1 1 20 20 PHE H H 1 8.84 0.01 . 1 . . . . 57 . . . 5482 1 215 . 1 1 20 20 PHE CA C 13 58.0 0.05 . 1 . . . . 57 . . . 5482 1 216 . 1 1 20 20 PHE HA H 1 5.43 0.01 . 1 . . . . 57 . . . 5482 1 217 . 1 1 20 20 PHE CB C 13 42.7 0.05 . 1 . . . . 57 . . . 5482 1 218 . 1 1 20 20 PHE HB2 H 1 2.61 0.01 . 1 . . . . 57 . . . 5482 1 219 . 1 1 20 20 PHE HB3 H 1 3.01 0.01 . 1 . . . . 57 . . . 5482 1 220 . 1 1 20 20 PHE HD1 H 1 6.88 0.01 . 1 . . . . 57 . . . 5482 1 221 . 1 1 20 20 PHE HD2 H 1 6.88 0.01 . 1 . . . . 57 . . . 5482 1 222 . 1 1 20 20 PHE HE1 H 1 6.62 0.01 . 1 . . . . 57 . . . 5482 1 223 . 1 1 20 20 PHE HE2 H 1 6.62 0.01 . 1 . . . . 57 . . . 5482 1 224 . 1 1 20 20 PHE CD1 C 13 132.6 0.05 . 1 . . . . 57 . . . 5482 1 225 . 1 1 20 20 PHE CE1 C 13 130.4 0.05 . 1 . . . . 57 . . . 5482 1 226 . 1 1 20 20 PHE CZ C 13 128.6 0.05 . 1 . . . . 57 . . . 5482 1 227 . 1 1 20 20 PHE HZ H 1 6.60 0.01 . 1 . . . . 57 . . . 5482 1 228 . 1 1 21 21 TYR N N 15 119.9 0.05 . 1 . . . . 58 . . . 5482 1 229 . 1 1 21 21 TYR H H 1 9.48 0.01 . 1 . . . . 58 . . . 5482 1 230 . 1 1 21 21 TYR CA C 13 58.5 0.05 . 1 . . . . 58 . . . 5482 1 231 . 1 1 21 21 TYR HA H 1 4.61 0.01 . 1 . . . . 58 . . . 5482 1 232 . 1 1 21 21 TYR CB C 13 41.0 0.05 . 1 . . . . 58 . . . 5482 1 233 . 1 1 21 21 TYR HB2 H 1 2.43 0.01 . 1 . . . . 58 . . . 5482 1 234 . 1 1 21 21 TYR HB3 H 1 3.53 0.01 . 1 . . . . 58 . . . 5482 1 235 . 1 1 21 21 TYR HD1 H 1 7.19 0.01 . 1 . . . . 58 . . . 5482 1 236 . 1 1 21 21 TYR HD2 H 1 7.19 0.01 . 1 . . . . 58 . . . 5482 1 237 . 1 1 21 21 TYR HE1 H 1 6.51 0.01 . 1 . . . . 58 . . . 5482 1 238 . 1 1 21 21 TYR HE2 H 1 6.51 0.01 . 1 . . . . 58 . . . 5482 1 239 . 1 1 21 21 TYR CD1 C 13 132.7 0.05 . 1 . . . . 58 . . . 5482 1 240 . 1 1 21 21 TYR CE1 C 13 118.5 0.05 . 1 . . . . 58 . . . 5482 1 241 . 1 1 22 22 ARG N N 15 121.1 0.05 . 1 . . . . 59 . . . 5482 1 242 . 1 1 22 22 ARG H H 1 9.34 0.01 . 1 . . . . 59 . . . 5482 1 243 . 1 1 22 22 ARG HA H 1 4.78 0.01 . 1 . . . . 59 . . . 5482 1 244 . 1 1 22 22 ARG CB C 13 34.9 0.05 . 1 . . . . 59 . . . 5482 1 245 . 1 1 22 22 ARG HB2 H 1 2.03 0.01 . 2 . . . . 59 . . . 5482 1 246 . 1 1 22 22 ARG HB3 H 1 1.66 0.01 . 2 . . . . 59 . . . 5482 1 247 . 1 1 22 22 ARG HG2 H 1 1.50 0.01 . 1 . . . . 59 . . . 5482 1 248 . 1 1 22 22 ARG HG3 H 1 1.50 0.01 . 1 . . . . 59 . . . 5482 1 249 . 1 1 22 22 ARG CD C 13 44.9 0.05 . 1 . . . . 59 . . . 5482 1 250 . 1 1 22 22 ARG HD2 H 1 3.19 0.01 . 2 . . . . 59 . . . 5482 1 251 . 1 1 22 22 ARG HD3 H 1 3.11 0.01 . 2 . . . . 59 . . . 5482 1 252 . 1 1 22 22 ARG NE N 15 82.5 0.05 . 1 . . . . 59 . . . 5482 1 253 . 1 1 22 22 ARG HE H 1 7.72 0.01 . 1 . . . . 59 . . . 5482 1 254 . 1 1 22 22 ARG NH1 N 15 72.1 0.05 . 1 . . . . 59 . . . 5482 1 255 . 1 1 22 22 ARG HH11 H 1 6.50 0.01 . 1 . . . . 59 . . . 5482 1 256 . 1 1 22 22 ARG HH12 H 1 6.50 0.01 . 1 . . . . 59 . . . 5482 1 257 . 1 1 22 22 ARG NH2 N 15 72.1 0.05 . 1 . . . . 59 . . . 5482 1 258 . 1 1 22 22 ARG HH21 H 1 6.50 0.01 . 1 . . . . 59 . . . 5482 1 259 . 1 1 22 22 ARG HH22 H 1 6.50 0.01 . 1 . . . . 59 . . . 5482 1 260 . 1 1 23 23 ASN N N 15 123.8 0.05 . 1 . . . . 60 . . . 5482 1 261 . 1 1 23 23 ASN H H 1 8.50 0.01 . 1 . . . . 60 . . . 5482 1 262 . 1 1 23 23 ASN HA H 1 4.73 0.01 . 1 . . . . 60 . . . 5482 1 263 . 1 1 23 23 ASN CB C 13 39.3 0.05 . 1 . . . . 60 . . . 5482 1 264 . 1 1 23 23 ASN HB2 H 1 2.94 0.01 . 1 . . . . 60 . . . 5482 1 265 . 1 1 23 23 ASN HB3 H 1 3.10 0.01 . 1 . . . . 60 . . . 5482 1 266 . 1 1 23 23 ASN ND2 N 15 110.2 0.05 . 1 . . . . 60 . . . 5482 1 267 . 1 1 23 23 ASN HD21 H 1 7.33 0.01 . 1 . . . . 60 . . . 5482 1 268 . 1 1 23 23 ASN HD22 H 1 7.09 0.01 . 1 . . . . 60 . . . 5482 1 269 . 1 1 24 24 GLY N N 15 111.8 0.05 . 1 . . . . 61 . . . 5482 1 270 . 1 1 24 24 GLY H H 1 9.10 0.01 . 1 . . . . 61 . . . 5482 1 271 . 1 1 24 24 GLY CA C 13 46.3 0.05 . 1 . . . . 61 . . . 5482 1 272 . 1 1 24 24 GLY HA2 H 1 3.14 0.01 . 2 . . . . 61 . . . 5482 1 273 . 1 1 24 24 GLY HA3 H 1 4.19 0.01 . 2 . . . . 61 . . . 5482 1 274 . 1 1 25 25 ASP N N 15 121.2 0.05 . 1 . . . . 62 . . . 5482 1 275 . 1 1 25 25 ASP H H 1 8.21 0.01 . 1 . . . . 62 . . . 5482 1 276 . 1 1 25 25 ASP HA H 1 4.80 0.01 . 1 . . . . 62 . . . 5482 1 277 . 1 1 25 25 ASP CB C 13 42.8 0.05 . 1 . . . . 62 . . . 5482 1 278 . 1 1 25 25 ASP HB2 H 1 3.65 0.01 . 2 . . . . 62 . . . 5482 1 279 . 1 1 25 25 ASP HB3 H 1 2.24 0.01 . 2 . . . . 62 . . . 5482 1 280 . 1 1 26 26 ARG N N 15 122.8 0.05 . 1 . . . . 63 . . . 5482 1 281 . 1 1 26 26 ARG H H 1 8.46 0.01 . 1 . . . . 63 . . . 5482 1 282 . 1 1 26 26 ARG CA C 13 57.2 0.05 . 1 . . . . 63 . . . 5482 1 283 . 1 1 26 26 ARG HA H 1 3.91 0.01 . 1 . . . . 63 . . . 5482 1 284 . 1 1 26 26 ARG CB C 13 30.5 0.05 . 1 . . . . 63 . . . 5482 1 285 . 1 1 26 26 ARG HB2 H 1 1.41 0.01 . 2 . . . . 63 . . . 5482 1 286 . 1 1 26 26 ARG HB3 H 1 1.23 0.01 . 2 . . . . 63 . . . 5482 1 287 . 1 1 26 26 ARG CG C 13 26.6 0.05 . 1 . . . . 63 . . . 5482 1 288 . 1 1 26 26 ARG HG2 H 1 1.18 0.01 . 2 . . . . 63 . . . 5482 1 289 . 1 1 26 26 ARG HG3 H 1 0.82 0.01 . 2 . . . . 63 . . . 5482 1 290 . 1 1 26 26 ARG CD C 13 43.7 0.05 . 1 . . . . 63 . . . 5482 1 291 . 1 1 26 26 ARG HD2 H 1 2.92 0.01 . 1 . . . . 63 . . . 5482 1 292 . 1 1 26 26 ARG HD3 H 1 2.92 0.01 . 1 . . . . 63 . . . 5482 1 293 . 1 1 26 26 ARG NE N 15 84.5 0.05 . 1 . . . . 63 . . . 5482 1 294 . 1 1 26 26 ARG HE H 1 7.01 0.01 . 1 . . . . 63 . . . 5482 1 295 . 1 1 27 27 TYR N N 15 118.1 0.05 . 1 . . . . 64 . . . 5482 1 296 . 1 1 27 27 TYR H H 1 8.39 0.01 . 1 . . . . 64 . . . 5482 1 297 . 1 1 27 27 TYR CA C 13 58.7 0.05 . 1 . . . . 64 . . . 5482 1 298 . 1 1 27 27 TYR HA H 1 4.63 0.01 . 1 . . . . 64 . . . 5482 1 299 . 1 1 27 27 TYR CB C 13 39.5 0.05 . 1 . . . . 64 . . . 5482 1 300 . 1 1 27 27 TYR HB2 H 1 2.98 0.01 . 1 . . . . 64 . . . 5482 1 301 . 1 1 27 27 TYR HB3 H 1 3.31 0.01 . 1 . . . . 64 . . . 5482 1 302 . 1 1 27 27 TYR HD1 H 1 7.23 0.01 . 1 . . . . 64 . . . 5482 1 303 . 1 1 27 27 TYR HD2 H 1 7.23 0.01 . 1 . . . . 64 . . . 5482 1 304 . 1 1 27 27 TYR HE1 H 1 6.86 0.01 . 1 . . . . 64 . . . 5482 1 305 . 1 1 27 27 TYR HE2 H 1 6.86 0.01 . 1 . . . . 64 . . . 5482 1 306 . 1 1 27 27 TYR CD1 C 13 133.5 0.05 . 1 . . . . 64 . . . 5482 1 307 . 1 1 27 27 TYR CE1 C 13 118.5 0.05 . 1 . . . . 64 . . . 5482 1 308 . 1 1 28 28 PHE N N 15 121.7 0.05 . 1 . . . . 65 . . . 5482 1 309 . 1 1 28 28 PHE H H 1 7.63 0.01 . 1 . . . . 65 . . . 5482 1 310 . 1 1 28 28 PHE HA H 1 4.79 0.01 . 1 . . . . 65 . . . 5482 1 311 . 1 1 28 28 PHE CB C 13 39.9 0.05 . 1 . . . . 65 . . . 5482 1 312 . 1 1 28 28 PHE HB2 H 1 3.33 0.01 . 2 . . . . 65 . . . 5482 1 313 . 1 1 28 28 PHE HB3 H 1 3.29 0.01 . 2 . . . . 65 . . . 5482 1 314 . 1 1 28 28 PHE HD1 H 1 7.55 0.01 . 1 . . . . 65 . . . 5482 1 315 . 1 1 28 28 PHE HD2 H 1 7.55 0.01 . 1 . . . . 65 . . . 5482 1 316 . 1 1 28 28 PHE HE1 H 1 7.46 0.01 . 1 . . . . 65 . . . 5482 1 317 . 1 1 28 28 PHE HE2 H 1 7.46 0.01 . 1 . . . . 65 . . . 5482 1 318 . 1 1 28 28 PHE CD1 C 13 131.8 0.05 . 1 . . . . 65 . . . 5482 1 319 . 1 1 28 28 PHE CE1 C 13 131.8 0.05 . 1 . . . . 65 . . . 5482 1 320 . 1 1 28 28 PHE CZ C 13 130.7 0.05 . 1 . . . . 65 . . . 5482 1 321 . 1 1 28 28 PHE HZ H 1 7.12 0.01 . 1 . . . . 65 . . . 5482 1 322 . 1 1 29 29 LYS N N 15 128.4 0.05 . 1 . . . . 66 . . . 5482 1 323 . 1 1 29 29 LYS H H 1 8.69 0.01 . 1 . . . . 66 . . . 5482 1 324 . 1 1 29 29 LYS CA C 13 56.1 0.05 . 1 . . . . 66 . . . 5482 1 325 . 1 1 29 29 LYS HA H 1 4.41 0.01 . 1 . . . . 66 . . . 5482 1 326 . 1 1 29 29 LYS CB C 13 31.1 0.05 . 1 . . . . 66 . . . 5482 1 327 . 1 1 29 29 LYS HB2 H 1 2.04 0.01 . 2 . . . . 66 . . . 5482 1 328 . 1 1 29 29 LYS HB3 H 1 1.65 0.01 . 2 . . . . 66 . . . 5482 1 329 . 1 1 29 29 LYS CG C 13 24.3 0.05 . 1 . . . . 66 . . . 5482 1 330 . 1 1 29 29 LYS HG2 H 1 1.59 0.01 . 2 . . . . 66 . . . 5482 1 331 . 1 1 29 29 LYS HG3 H 1 1.45 0.01 . 2 . . . . 66 . . . 5482 1 332 . 1 1 29 29 LYS CD C 13 28.7 0.05 . 1 . . . . 66 . . . 5482 1 333 . 1 1 29 29 LYS HD2 H 1 1.65 0.01 . 1 . . . . 66 . . . 5482 1 334 . 1 1 29 29 LYS HD3 H 1 1.65 0.01 . 1 . . . . 66 . . . 5482 1 335 . 1 1 29 29 LYS CE C 13 42.9 0.05 . 1 . . . . 66 . . . 5482 1 336 . 1 1 29 29 LYS HE2 H 1 3.04 0.01 . 2 . . . . 66 . . . 5482 1 337 . 1 1 29 29 LYS HE3 H 1 2.96 0.01 . 2 . . . . 66 . . . 5482 1 338 . 1 1 30 30 GLY CA C 13 44.3 0.05 . 1 . . . . 67 . . . 5482 1 339 . 1 1 30 30 GLY HA2 H 1 3.45 0.01 . 2 . . . . 67 . . . 5482 1 340 . 1 1 30 30 GLY HA3 H 1 2.85 0.01 . 2 . . . . 67 . . . 5482 1 341 . 1 1 31 31 ILE N N 15 117.7 0.05 . 1 . . . . 68 . . . 5482 1 342 . 1 1 31 31 ILE H H 1 8.40 0.01 . 1 . . . . 68 . . . 5482 1 343 . 1 1 31 31 ILE CA C 13 59.3 0.05 . 1 . . . . 68 . . . 5482 1 344 . 1 1 31 31 ILE HA H 1 4.58 0.01 . 1 . . . . 68 . . . 5482 1 345 . 1 1 31 31 ILE CB C 13 42.9 0.05 . 1 . . . . 68 . . . 5482 1 346 . 1 1 31 31 ILE HB H 1 1.89 0.01 . 1 . . . . 68 . . . 5482 1 347 . 1 1 31 31 ILE HG21 H 1 1.24 0.01 . 1 . . . . 68 . . . 5482 1 348 . 1 1 31 31 ILE HG22 H 1 1.24 0.01 . 1 . . . . 68 . . . 5482 1 349 . 1 1 31 31 ILE HG23 H 1 1.24 0.01 . 1 . . . . 68 . . . 5482 1 350 . 1 1 31 31 ILE CG2 C 13 17.4 0.05 . 1 . . . . 68 . . . 5482 1 351 . 1 1 31 31 ILE CG1 C 13 28.7 0.05 . 1 . . . . 68 . . . 5482 1 352 . 1 1 31 31 ILE HG12 H 1 1.76 0.01 . 2 . . . . 68 . . . 5482 1 353 . 1 1 31 31 ILE HG13 H 1 1.26 0.01 . 2 . . . . 68 . . . 5482 1 354 . 1 1 31 31 ILE HD11 H 1 1.10 0.01 . 1 . . . . 68 . . . 5482 1 355 . 1 1 31 31 ILE HD12 H 1 1.10 0.01 . 1 . . . . 68 . . . 5482 1 356 . 1 1 31 31 ILE HD13 H 1 1.10 0.01 . 1 . . . . 68 . . . 5482 1 357 . 1 1 31 31 ILE CD1 C 13 14.8 0.05 . 1 . . . . 68 . . . 5482 1 358 . 1 1 32 32 VAL N N 15 128.0 0.05 . 1 . . . . 69 . . . 5482 1 359 . 1 1 32 32 VAL H H 1 8.65 0.01 . 1 . . . . 69 . . . 5482 1 360 . 1 1 32 32 VAL CA C 13 62.8 0.05 . 1 . . . . 69 . . . 5482 1 361 . 1 1 32 32 VAL HA H 1 4.55 0.01 . 1 . . . . 69 . . . 5482 1 362 . 1 1 32 32 VAL CB C 13 32.3 0.05 . 1 . . . . 69 . . . 5482 1 363 . 1 1 32 32 VAL HB H 1 1.96 0.01 . 1 . . . . 69 . . . 5482 1 364 . 1 1 32 32 VAL HG11 H 1 0.94 0.01 . 1 . . . . 69 . . . 5482 1 365 . 1 1 32 32 VAL HG12 H 1 0.94 0.01 . 1 . . . . 69 . . . 5482 1 366 . 1 1 32 32 VAL HG13 H 1 0.94 0.01 . 1 . . . . 69 . . . 5482 1 367 . 1 1 32 32 VAL HG21 H 1 0.66 0.01 . 1 . . . . 69 . . . 5482 1 368 . 1 1 32 32 VAL HG22 H 1 0.66 0.01 . 1 . . . . 69 . . . 5482 1 369 . 1 1 32 32 VAL HG23 H 1 0.66 0.01 . 1 . . . . 69 . . . 5482 1 370 . 1 1 32 32 VAL CG1 C 13 21.7 0.05 . 1 . . . . 69 . . . 5482 1 371 . 1 1 32 32 VAL CG2 C 13 22.7 0.05 . 1 . . . . 69 . . . 5482 1 372 . 1 1 33 33 TYR N N 15 132.0 0.05 . 1 . . . . 70 . . . 5482 1 373 . 1 1 33 33 TYR H H 1 9.59 0.01 . 1 . . . . 70 . . . 5482 1 374 . 1 1 33 33 TYR HA H 1 4.82 0.01 . 1 . . . . 70 . . . 5482 1 375 . 1 1 33 33 TYR CB C 13 44.8 0.05 . 1 . . . . 70 . . . 5482 1 376 . 1 1 33 33 TYR HB2 H 1 3.13 0.01 . 1 . . . . 70 . . . 5482 1 377 . 1 1 33 33 TYR HB3 H 1 2.76 0.01 . 1 . . . . 70 . . . 5482 1 378 . 1 1 33 33 TYR HD1 H 1 6.96 0.01 . 1 . . . . 70 . . . 5482 1 379 . 1 1 33 33 TYR HD2 H 1 6.96 0.01 . 1 . . . . 70 . . . 5482 1 380 . 1 1 33 33 TYR HE1 H 1 6.69 0.01 . 1 . . . . 70 . . . 5482 1 381 . 1 1 33 33 TYR HE2 H 1 6.69 0.01 . 1 . . . . 70 . . . 5482 1 382 . 1 1 33 33 TYR CD1 C 13 131.6 0.05 . 1 . . . . 70 . . . 5482 1 383 . 1 1 33 33 TYR CE1 C 13 119.2 0.05 . 1 . . . . 70 . . . 5482 1 384 . 1 1 34 34 ALA N N 15 123.6 0.05 . 1 . . . . 71 . . . 5482 1 385 . 1 1 34 34 ALA H H 1 8.25 0.01 . 1 . . . . 71 . . . 5482 1 386 . 1 1 34 34 ALA CA C 13 50.9 0.05 . 1 . . . . 71 . . . 5482 1 387 . 1 1 34 34 ALA HA H 1 5.06 0.01 . 1 . . . . 71 . . . 5482 1 388 . 1 1 34 34 ALA HB1 H 1 1.24 0.01 . 1 . . . . 71 . . . 5482 1 389 . 1 1 34 34 ALA HB2 H 1 1.24 0.01 . 1 . . . . 71 . . . 5482 1 390 . 1 1 34 34 ALA HB3 H 1 1.24 0.01 . 1 . . . . 71 . . . 5482 1 391 . 1 1 34 34 ALA CB C 13 18.9 0.05 . 1 . . . . 71 . . . 5482 1 392 . 1 1 35 35 VAL N N 15 122.8 0.05 . 1 . . . . 72 . . . 5482 1 393 . 1 1 35 35 VAL H H 1 9.55 0.01 . 1 . . . . 72 . . . 5482 1 394 . 1 1 35 35 VAL CA C 13 63.4 0.05 . 1 . . . . 72 . . . 5482 1 395 . 1 1 35 35 VAL HA H 1 4.41 0.01 . 1 . . . . 72 . . . 5482 1 396 . 1 1 35 35 VAL CB C 13 33.7 0.05 . 1 . . . . 72 . . . 5482 1 397 . 1 1 35 35 VAL HB H 1 2.24 0.01 . 1 . . . . 72 . . . 5482 1 398 . 1 1 35 35 VAL HG11 H 1 1.06 0.01 . 1 . . . . 72 . . . 5482 1 399 . 1 1 35 35 VAL HG12 H 1 1.06 0.01 . 1 . . . . 72 . . . 5482 1 400 . 1 1 35 35 VAL HG13 H 1 1.06 0.01 . 1 . . . . 72 . . . 5482 1 401 . 1 1 35 35 VAL HG21 H 1 1.08 0.01 . 1 . . . . 72 . . . 5482 1 402 . 1 1 35 35 VAL HG22 H 1 1.08 0.01 . 1 . . . . 72 . . . 5482 1 403 . 1 1 35 35 VAL HG23 H 1 1.08 0.01 . 1 . . . . 72 . . . 5482 1 404 . 1 1 35 35 VAL CG1 C 13 22.8 0.05 . 1 . . . . 72 . . . 5482 1 405 . 1 1 35 35 VAL CG2 C 13 22.0 0.05 . 1 . . . . 72 . . . 5482 1 406 . 1 1 36 36 SER N N 15 118.5 0.05 . 1 . . . . 73 . . . 5482 1 407 . 1 1 36 36 SER H H 1 7.35 0.01 . 1 . . . . 73 . . . 5482 1 408 . 1 1 36 36 SER CA C 13 57.1 0.05 . 1 . . . . 73 . . . 5482 1 409 . 1 1 36 36 SER HA H 1 4.95 0.01 . 1 . . . . 73 . . . 5482 1 410 . 1 1 36 36 SER CB C 13 66.2 0.05 . 1 . . . . 73 . . . 5482 1 411 . 1 1 36 36 SER HB2 H 1 4.19 0.01 . 2 . . . . 73 . . . 5482 1 412 . 1 1 36 36 SER HB3 H 1 3.90 0.01 . 2 . . . . 73 . . . 5482 1 413 . 1 1 37 37 SER CA C 13 60.7 0.05 . 1 . . . . 74 . . . 5482 1 414 . 1 1 37 37 SER HA H 1 4.62 0.01 . 1 . . . . 74 . . . 5482 1 415 . 1 1 37 37 SER CB C 13 63.3 0.05 . 1 . . . . 74 . . . 5482 1 416 . 1 1 37 37 SER HB2 H 1 4.04 0.01 . 2 . . . . 74 . . . 5482 1 417 . 1 1 37 37 SER HB3 H 1 3.94 0.01 . 2 . . . . 74 . . . 5482 1 418 . 1 1 38 38 ASP N N 15 118.3 0.05 . 1 . . . . 75 . . . 5482 1 419 . 1 1 38 38 ASP H H 1 8.04 0.01 . 1 . . . . 75 . . . 5482 1 420 . 1 1 38 38 ASP CA C 13 55.9 0.05 . 1 . . . . 75 . . . 5482 1 421 . 1 1 38 38 ASP HA H 1 4.43 0.01 . 1 . . . . 75 . . . 5482 1 422 . 1 1 38 38 ASP CB C 13 41.2 0.05 . 1 . . . . 75 . . . 5482 1 423 . 1 1 38 38 ASP HB2 H 1 2.49 0.01 . 1 . . . . 75 . . . 5482 1 424 . 1 1 38 38 ASP HB3 H 1 2.56 0.01 . 1 . . . . 75 . . . 5482 1 425 . 1 1 39 39 ARG N N 15 118.1 0.05 . 1 . . . . 76 . . . 5482 1 426 . 1 1 39 39 ARG H H 1 7.13 0.01 . 1 . . . . 76 . . . 5482 1 427 . 1 1 39 39 ARG CA C 13 57.6 0.05 . 1 . . . . 76 . . . 5482 1 428 . 1 1 39 39 ARG HA H 1 3.96 0.01 . 1 . . . . 76 . . . 5482 1 429 . 1 1 39 39 ARG CB C 13 32.2 0.05 . 1 . . . . 76 . . . 5482 1 430 . 1 1 39 39 ARG HB2 H 1 1.43 0.01 . 2 . . . . 76 . . . 5482 1 431 . 1 1 39 39 ARG HB3 H 1 1.16 0.01 . 2 . . . . 76 . . . 5482 1 432 . 1 1 39 39 ARG CG C 13 27.5 0.05 . 1 . . . . 76 . . . 5482 1 433 . 1 1 39 39 ARG HG2 H 1 1.12 0.01 . 2 . . . . 76 . . . 5482 1 434 . 1 1 39 39 ARG HG3 H 1 0.88 0.01 . 2 . . . . 76 . . . 5482 1 435 . 1 1 39 39 ARG CD C 13 43.4 0.05 . 1 . . . . 76 . . . 5482 1 436 . 1 1 39 39 ARG HD2 H 1 2.99 0.01 . 2 . . . . 76 . . . 5482 1 437 . 1 1 39 39 ARG HD3 H 1 2.94 0.01 . 2 . . . . 76 . . . 5482 1 438 . 1 1 40 40 PHE N N 15 116.2 0.05 . 1 . . . . 77 . . . 5482 1 439 . 1 1 40 40 PHE H H 1 7.73 0.01 . 1 . . . . 77 . . . 5482 1 440 . 1 1 40 40 PHE CA C 13 56.3 0.05 . 1 . . . . 77 . . . 5482 1 441 . 1 1 40 40 PHE HA H 1 4.87 0.01 . 1 . . . . 77 . . . 5482 1 442 . 1 1 40 40 PHE CB C 13 41.1 0.05 . 1 . . . . 77 . . . 5482 1 443 . 1 1 40 40 PHE HB2 H 1 3.02 0.01 . 2 . . . . 77 . . . 5482 1 444 . 1 1 40 40 PHE HB3 H 1 2.96 0.01 . 2 . . . . 77 . . . 5482 1 445 . 1 1 40 40 PHE HD1 H 1 7.22 0.01 . 1 . . . . 77 . . . 5482 1 446 . 1 1 40 40 PHE HD2 H 1 7.22 0.01 . 1 . . . . 77 . . . 5482 1 447 . 1 1 40 40 PHE HE1 H 1 7.53 0.01 . 1 . . . . 77 . . . 5482 1 448 . 1 1 40 40 PHE HE2 H 1 7.53 0.01 . 1 . . . . 77 . . . 5482 1 449 . 1 1 40 40 PHE CD1 C 13 132.2 0.05 . 1 . . . . 77 . . . 5482 1 450 . 1 1 40 40 PHE CE1 C 13 131.9 0.05 . 1 . . . . 77 . . . 5482 1 451 . 1 1 41 41 ARG N N 15 121.0 0.05 . 1 . . . . 78 . . . 5482 1 452 . 1 1 41 41 ARG H H 1 8.94 0.01 . 1 . . . . 78 . . . 5482 1 453 . 1 1 41 41 ARG CA C 13 57.7 0.05 . 1 . . . . 78 . . . 5482 1 454 . 1 1 41 41 ARG HA H 1 4.30 0.01 . 1 . . . . 78 . . . 5482 1 455 . 1 1 41 41 ARG CB C 13 30.3 0.05 . 1 . . . . 78 . . . 5482 1 456 . 1 1 41 41 ARG HB2 H 1 1.86 0.01 . 1 . . . . 78 . . . 5482 1 457 . 1 1 41 41 ARG HB3 H 1 1.96 0.01 . 1 . . . . 78 . . . 5482 1 458 . 1 1 41 41 ARG CG C 13 27.5 0.05 . 1 . . . . 78 . . . 5482 1 459 . 1 1 41 41 ARG HG2 H 1 1.72 0.01 . 1 . . . . 78 . . . 5482 1 460 . 1 1 41 41 ARG HG3 H 1 1.72 0.01 . 1 . . . . 78 . . . 5482 1 461 . 1 1 41 41 ARG CD C 13 43.4 0.05 . 1 . . . . 78 . . . 5482 1 462 . 1 1 41 41 ARG HD2 H 1 3.24 0.01 . 1 . . . . 78 . . . 5482 1 463 . 1 1 41 41 ARG HD3 H 1 3.24 0.01 . 1 . . . . 78 . . . 5482 1 464 . 1 1 42 42 SER N N 15 109.5 0.05 . 1 . . . . 79 . . . 5482 1 465 . 1 1 42 42 SER H H 1 7.60 0.01 . 1 . . . . 79 . . . 5482 1 466 . 1 1 42 42 SER HA H 1 4.76 0.01 . 1 . . . . 79 . . . 5482 1 467 . 1 1 42 42 SER CB C 13 66.6 0.05 . 1 . . . . 79 . . . 5482 1 468 . 1 1 42 42 SER HB2 H 1 4.29 0.01 . 2 . . . . 79 . . . 5482 1 469 . 1 1 42 42 SER HB3 H 1 4.01 0.01 . 2 . . . . 79 . . . 5482 1 470 . 1 1 43 43 PHE N N 15 123.9 0.05 . 1 . . . . 80 . . . 5482 1 471 . 1 1 43 43 PHE H H 1 9.28 0.01 . 1 . . . . 80 . . . 5482 1 472 . 1 1 43 43 PHE CA C 13 61.6 0.05 . 1 . . . . 80 . . . 5482 1 473 . 1 1 43 43 PHE HA H 1 4.25 0.01 . 1 . . . . 80 . . . 5482 1 474 . 1 1 43 43 PHE CB C 13 39.6 0.05 . 1 . . . . 80 . . . 5482 1 475 . 1 1 43 43 PHE HB2 H 1 3.30 0.01 . 1 . . . . 80 . . . 5482 1 476 . 1 1 43 43 PHE HB3 H 1 3.05 0.01 . 1 . . . . 80 . . . 5482 1 477 . 1 1 43 43 PHE HD1 H 1 7.00 0.01 . 1 . . . . 80 . . . 5482 1 478 . 1 1 43 43 PHE HD2 H 1 7.00 0.01 . 1 . . . . 80 . . . 5482 1 479 . 1 1 43 43 PHE HE1 H 1 6.89 0.01 . 1 . . . . 80 . . . 5482 1 480 . 1 1 43 43 PHE HE2 H 1 6.89 0.01 . 1 . . . . 80 . . . 5482 1 481 . 1 1 43 43 PHE CD1 C 13 131.2 0.05 . 1 . . . . 80 . . . 5482 1 482 . 1 1 43 43 PHE CE1 C 13 130.9 0.05 . 1 . . . . 80 . . . 5482 1 483 . 1 1 43 43 PHE CZ C 13 130.1 0.05 . 1 . . . . 80 . . . 5482 1 484 . 1 1 43 43 PHE HZ H 1 6.84 0.01 . 1 . . . . 80 . . . 5482 1 485 . 1 1 44 44 ASP N N 15 116.3 0.05 . 1 . . . . 81 . . . 5482 1 486 . 1 1 44 44 ASP H H 1 8.41 0.01 . 1 . . . . 81 . . . 5482 1 487 . 1 1 44 44 ASP CA C 13 57.7 0.05 . 1 . . . . 81 . . . 5482 1 488 . 1 1 44 44 ASP HA H 1 4.16 0.01 . 1 . . . . 81 . . . 5482 1 489 . 1 1 44 44 ASP CB C 13 40.6 0.05 . 1 . . . . 81 . . . 5482 1 490 . 1 1 44 44 ASP HB2 H 1 2.57 0.01 . 1 . . . . 81 . . . 5482 1 491 . 1 1 44 44 ASP HB3 H 1 2.57 0.01 . 1 . . . . 81 . . . 5482 1 492 . 1 1 45 45 ALA N N 15 123.2 0.05 . 1 . . . . 82 . . . 5482 1 493 . 1 1 45 45 ALA H H 1 7.95 0.01 . 1 . . . . 82 . . . 5482 1 494 . 1 1 45 45 ALA CA C 13 55.2 0.05 . 1 . . . . 82 . . . 5482 1 495 . 1 1 45 45 ALA HA H 1 4.25 0.01 . 1 . . . . 82 . . . 5482 1 496 . 1 1 45 45 ALA HB1 H 1 1.77 0.01 . 1 . . . . 82 . . . 5482 1 497 . 1 1 45 45 ALA HB2 H 1 1.77 0.01 . 1 . . . . 82 . . . 5482 1 498 . 1 1 45 45 ALA HB3 H 1 1.77 0.01 . 1 . . . . 82 . . . 5482 1 499 . 1 1 45 45 ALA CB C 13 18.9 0.05 . 1 . . . . 82 . . . 5482 1 500 . 1 1 46 46 LEU N N 15 121.7 0.05 . 1 . . . . 83 . . . 5482 1 501 . 1 1 46 46 LEU H H 1 7.24 0.01 . 1 . . . . 83 . . . 5482 1 502 . 1 1 46 46 LEU CA C 13 58.3 0.05 . 1 . . . . 83 . . . 5482 1 503 . 1 1 46 46 LEU HA H 1 3.51 0.01 . 1 . . . . 83 . . . 5482 1 504 . 1 1 46 46 LEU CB C 13 40.4 0.05 . 1 . . . . 83 . . . 5482 1 505 . 1 1 46 46 LEU HB2 H 1 0.78 0.01 . 1 . . . . 83 . . . 5482 1 506 . 1 1 46 46 LEU HB3 H 1 1.77 0.01 . 1 . . . . 83 . . . 5482 1 507 . 1 1 46 46 LEU CG C 13 26.8 0.05 . 1 . . . . 83 . . . 5482 1 508 . 1 1 46 46 LEU HG H 1 0.69 0.01 . 1 . . . . 83 . . . 5482 1 509 . 1 1 46 46 LEU HD11 H 1 -0.11 0.01 . 1 . . . . 83 . . . 5482 1 510 . 1 1 46 46 LEU HD12 H 1 -0.11 0.01 . 1 . . . . 83 . . . 5482 1 511 . 1 1 46 46 LEU HD13 H 1 -0.11 0.01 . 1 . . . . 83 . . . 5482 1 512 . 1 1 46 46 LEU HD21 H 1 0.39 0.01 . 1 . . . . 83 . . . 5482 1 513 . 1 1 46 46 LEU HD22 H 1 0.39 0.01 . 1 . . . . 83 . . . 5482 1 514 . 1 1 46 46 LEU HD23 H 1 0.39 0.01 . 1 . . . . 83 . . . 5482 1 515 . 1 1 46 46 LEU CD1 C 13 22.5 0.05 . 1 . . . . 83 . . . 5482 1 516 . 1 1 46 46 LEU CD2 C 13 26.6 0.05 . 1 . . . . 83 . . . 5482 1 517 . 1 1 47 47 LEU N N 15 117.9 0.05 . 1 . . . . 84 . . . 5482 1 518 . 1 1 47 47 LEU H H 1 7.81 0.01 . 1 . . . . 84 . . . 5482 1 519 . 1 1 47 47 LEU CA C 13 58.9 0.05 . 1 . . . . 84 . . . 5482 1 520 . 1 1 47 47 LEU HA H 1 3.38 0.01 . 1 . . . . 84 . . . 5482 1 521 . 1 1 47 47 LEU CB C 13 40.2 0.05 . 1 . . . . 84 . . . 5482 1 522 . 1 1 47 47 LEU HB2 H 1 1.61 0.01 . 1 . . . . 84 . . . 5482 1 523 . 1 1 47 47 LEU HB3 H 1 1.34 0.01 . 1 . . . . 84 . . . 5482 1 524 . 1 1 47 47 LEU CG C 13 26.3 0.05 . 1 . . . . 84 . . . 5482 1 525 . 1 1 47 47 LEU HG H 1 1.00 0.01 . 1 . . . . 84 . . . 5482 1 526 . 1 1 47 47 LEU HD11 H 1 0.46 0.01 . 1 . . . . 84 . . . 5482 1 527 . 1 1 47 47 LEU HD12 H 1 0.46 0.01 . 1 . . . . 84 . . . 5482 1 528 . 1 1 47 47 LEU HD13 H 1 0.46 0.01 . 1 . . . . 84 . . . 5482 1 529 . 1 1 47 47 LEU HD21 H 1 0.04 0.01 . 1 . . . . 84 . . . 5482 1 530 . 1 1 47 47 LEU HD22 H 1 0.04 0.01 . 1 . . . . 84 . . . 5482 1 531 . 1 1 47 47 LEU HD23 H 1 0.04 0.01 . 1 . . . . 84 . . . 5482 1 532 . 1 1 47 47 LEU CD1 C 13 25.5 0.05 . 1 . . . . 84 . . . 5482 1 533 . 1 1 47 47 LEU CD2 C 13 22.3 0.05 . 1 . . . . 84 . . . 5482 1 534 . 1 1 48 48 ALA N N 15 121.4 0.05 . 1 . . . . 85 . . . 5482 1 535 . 1 1 48 48 ALA H H 1 8.06 0.01 . 1 . . . . 85 . . . 5482 1 536 . 1 1 48 48 ALA CA C 13 55.4 0.05 . 1 . . . . 85 . . . 5482 1 537 . 1 1 48 48 ALA HA H 1 4.08 0.01 . 1 . . . . 85 . . . 5482 1 538 . 1 1 48 48 ALA HB1 H 1 1.48 0.01 . 1 . . . . 85 . . . 5482 1 539 . 1 1 48 48 ALA HB2 H 1 1.48 0.01 . 1 . . . . 85 . . . 5482 1 540 . 1 1 48 48 ALA HB3 H 1 1.48 0.01 . 1 . . . . 85 . . . 5482 1 541 . 1 1 48 48 ALA CB C 13 18.3 0.05 . 1 . . . . 85 . . . 5482 1 542 . 1 1 49 49 ASP N N 15 121.8 0.05 . 1 . . . . 86 . . . 5482 1 543 . 1 1 49 49 ASP H H 1 7.69 0.01 . 1 . . . . 86 . . . 5482 1 544 . 1 1 49 49 ASP CA C 13 58.5 0.05 . 1 . . . . 86 . . . 5482 1 545 . 1 1 49 49 ASP HA H 1 4.40 0.01 . 1 . . . . 86 . . . 5482 1 546 . 1 1 49 49 ASP CB C 13 44.3 0.05 . 1 . . . . 86 . . . 5482 1 547 . 1 1 49 49 ASP HB2 H 1 2.89 0.01 . 1 . . . . 86 . . . 5482 1 548 . 1 1 49 49 ASP HB3 H 1 2.89 0.01 . 1 . . . . 86 . . . 5482 1 549 . 1 1 50 50 LEU N N 15 120.2 0.05 . 1 . . . . 87 . . . 5482 1 550 . 1 1 50 50 LEU H H 1 8.43 0.01 . 1 . . . . 87 . . . 5482 1 551 . 1 1 50 50 LEU CA C 13 57.7 0.05 . 1 . . . . 87 . . . 5482 1 552 . 1 1 50 50 LEU HA H 1 3.94 0.01 . 1 . . . . 87 . . . 5482 1 553 . 1 1 50 50 LEU CB C 13 42.3 0.05 . 1 . . . . 87 . . . 5482 1 554 . 1 1 50 50 LEU HB2 H 1 1.47 0.01 . 2 . . . . 87 . . . 5482 1 555 . 1 1 50 50 LEU HB3 H 1 0.90 0.01 . 2 . . . . 87 . . . 5482 1 556 . 1 1 50 50 LEU CG C 13 26.6 0.05 . 1 . . . . 87 . . . 5482 1 557 . 1 1 50 50 LEU HG H 1 0.83 0.01 . 1 . . . . 87 . . . 5482 1 558 . 1 1 50 50 LEU HD11 H 1 -0.47 0.01 . 1 . . . . 87 . . . 5482 1 559 . 1 1 50 50 LEU HD12 H 1 -0.47 0.01 . 1 . . . . 87 . . . 5482 1 560 . 1 1 50 50 LEU HD13 H 1 -0.47 0.01 . 1 . . . . 87 . . . 5482 1 561 . 1 1 50 50 LEU HD21 H 1 -0.44 0.01 . 1 . . . . 87 . . . 5482 1 562 . 1 1 50 50 LEU HD22 H 1 -0.44 0.01 . 1 . . . . 87 . . . 5482 1 563 . 1 1 50 50 LEU HD23 H 1 -0.44 0.01 . 1 . . . . 87 . . . 5482 1 564 . 1 1 50 50 LEU CD1 C 13 25.2 0.05 . 1 . . . . 87 . . . 5482 1 565 . 1 1 50 50 LEU CD2 C 13 22.2 0.05 . 1 . . . . 87 . . . 5482 1 566 . 1 1 51 51 THR N N 15 117.0 0.05 . 1 . . . . 88 . . . 5482 1 567 . 1 1 51 51 THR H H 1 8.24 0.01 . 1 . . . . 88 . . . 5482 1 568 . 1 1 51 51 THR CA C 13 67.9 0.05 . 1 . . . . 88 . . . 5482 1 569 . 1 1 51 51 THR HA H 1 3.66 0.01 . 1 . . . . 88 . . . 5482 1 570 . 1 1 51 51 THR CB C 13 69.2 0.05 . 1 . . . . 88 . . . 5482 1 571 . 1 1 51 51 THR HB H 1 4.45 0.01 . 1 . . . . 88 . . . 5482 1 572 . 1 1 51 51 THR HG21 H 1 1.23 0.01 . 1 . . . . 88 . . . 5482 1 573 . 1 1 51 51 THR HG22 H 1 1.23 0.01 . 1 . . . . 88 . . . 5482 1 574 . 1 1 51 51 THR HG23 H 1 1.23 0.01 . 1 . . . . 88 . . . 5482 1 575 . 1 1 51 51 THR HG1 H 1 5.19 0.01 . 1 . . . . 88 . . . 5482 1 576 . 1 1 51 51 THR CG2 C 13 22.1 0.05 . 1 . . . . 88 . . . 5482 1 577 . 1 1 52 52 ARG N N 15 120.3 0.05 . 1 . . . . 89 . . . 5482 1 578 . 1 1 52 52 ARG H H 1 7.29 0.01 . 1 . . . . 89 . . . 5482 1 579 . 1 1 52 52 ARG CA C 13 59.7 0.05 . 1 . . . . 89 . . . 5482 1 580 . 1 1 52 52 ARG HA H 1 4.10 0.01 . 1 . . . . 89 . . . 5482 1 581 . 1 1 52 52 ARG HB2 H 1 2.03 0.01 . 1 . . . . 89 . . . 5482 1 582 . 1 1 52 52 ARG HB3 H 1 2.03 0.01 . 1 . . . . 89 . . . 5482 1 583 . 1 1 52 52 ARG CG C 13 27.8 0.05 . 1 . . . . 89 . . . 5482 1 584 . 1 1 52 52 ARG HG2 H 1 1.77 0.01 . 2 . . . . 89 . . . 5482 1 585 . 1 1 52 52 ARG HG3 H 1 1.56 0.01 . 2 . . . . 89 . . . 5482 1 586 . 1 1 52 52 ARG CD C 13 43.7 0.05 . 1 . . . . 89 . . . 5482 1 587 . 1 1 52 52 ARG HD2 H 1 3.26 0.01 . 1 . . . . 89 . . . 5482 1 588 . 1 1 52 52 ARG HD3 H 1 3.26 0.01 . 1 . . . . 89 . . . 5482 1 589 . 1 1 52 52 ARG NE N 15 83.7 0.05 . 1 . . . . 89 . . . 5482 1 590 . 1 1 52 52 ARG HE H 1 7.33 0.01 . 1 . . . . 89 . . . 5482 1 591 . 1 1 53 53 SER N N 15 115.1 0.05 . 1 . . . . 90 . . . 5482 1 592 . 1 1 53 53 SER H H 1 8.49 0.01 . 1 . . . . 90 . . . 5482 1 593 . 1 1 53 53 SER CA C 13 61.8 0.05 . 1 . . . . 90 . . . 5482 1 594 . 1 1 53 53 SER HA H 1 4.25 0.01 . 1 . . . . 90 . . . 5482 1 595 . 1 1 53 53 SER CB C 13 63.9 0.05 . 1 . . . . 90 . . . 5482 1 596 . 1 1 53 53 SER HB2 H 1 3.99 0.01 . 2 . . . . 90 . . . 5482 1 597 . 1 1 53 53 SER HB3 H 1 3.93 0.01 . 2 . . . . 90 . . . 5482 1 598 . 1 1 54 54 LEU N N 15 118.0 0.05 . 1 . . . . 91 . . . 5482 1 599 . 1 1 54 54 LEU H H 1 8.47 0.01 . 1 . . . . 91 . . . 5482 1 600 . 1 1 54 54 LEU CA C 13 55.0 0.05 . 1 . . . . 91 . . . 5482 1 601 . 1 1 54 54 LEU HA H 1 4.27 0.01 . 1 . . . . 91 . . . 5482 1 602 . 1 1 54 54 LEU CB C 13 43.3 0.05 . 1 . . . . 91 . . . 5482 1 603 . 1 1 54 54 LEU HB2 H 1 1.55 0.01 . 1 . . . . 91 . . . 5482 1 604 . 1 1 54 54 LEU HB3 H 1 1.22 0.01 . 1 . . . . 91 . . . 5482 1 605 . 1 1 54 54 LEU HD11 H 1 0.65 0.01 . 1 . . . . 91 . . . 5482 1 606 . 1 1 54 54 LEU HD12 H 1 0.65 0.01 . 1 . . . . 91 . . . 5482 1 607 . 1 1 54 54 LEU HD13 H 1 0.65 0.01 . 1 . . . . 91 . . . 5482 1 608 . 1 1 54 54 LEU HD21 H 1 0.68 0.01 . 1 . . . . 91 . . . 5482 1 609 . 1 1 54 54 LEU HD22 H 1 0.68 0.01 . 1 . . . . 91 . . . 5482 1 610 . 1 1 54 54 LEU HD23 H 1 0.68 0.01 . 1 . . . . 91 . . . 5482 1 611 . 1 1 54 54 LEU CD1 C 13 27.6 0.05 . 1 . . . . 91 . . . 5482 1 612 . 1 1 54 54 LEU CD2 C 13 25.5 0.05 . 1 . . . . 91 . . . 5482 1 613 . 1 1 55 55 SER N N 15 112.4 0.05 . 1 . . . . 92 . . . 5482 1 614 . 1 1 55 55 SER H H 1 6.88 0.01 . 1 . . . . 92 . . . 5482 1 615 . 1 1 55 55 SER CA C 13 60.6 0.05 . 1 . . . . 92 . . . 5482 1 616 . 1 1 55 55 SER HA H 1 4.08 0.01 . 1 . . . . 92 . . . 5482 1 617 . 1 1 55 55 SER CB C 13 64.2 0.05 . 1 . . . . 92 . . . 5482 1 618 . 1 1 55 55 SER HB2 H 1 3.96 0.01 . 2 . . . . 92 . . . 5482 1 619 . 1 1 55 55 SER HB3 H 1 3.83 0.01 . 2 . . . . 92 . . . 5482 1 620 . 1 1 56 56 ASP N N 15 125.6 0.05 . 1 . . . . 93 . . . 5482 1 621 . 1 1 56 56 ASP H H 1 8.54 0.01 . 1 . . . . 93 . . . 5482 1 622 . 1 1 56 56 ASP CA C 13 54.5 0.05 . 1 . . . . 93 . . . 5482 1 623 . 1 1 56 56 ASP HA H 1 4.52 0.01 . 1 . . . . 93 . . . 5482 1 624 . 1 1 56 56 ASP CB C 13 42.1 0.05 . 1 . . . . 93 . . . 5482 1 625 . 1 1 56 56 ASP HB2 H 1 2.47 0.01 . 1 . . . . 93 . . . 5482 1 626 . 1 1 56 56 ASP HB3 H 1 2.90 0.01 . 1 . . . . 93 . . . 5482 1 627 . 1 1 57 57 ASN N N 15 120.2 0.05 . 1 . . . . 94 . . . 5482 1 628 . 1 1 57 57 ASN H H 1 8.68 0.01 . 1 . . . . 94 . . . 5482 1 629 . 1 1 57 57 ASN CA C 13 55.7 0.05 . 1 . . . . 94 . . . 5482 1 630 . 1 1 57 57 ASN HA H 1 4.35 0.01 . 1 . . . . 94 . . . 5482 1 631 . 1 1 57 57 ASN CB C 13 38.6 0.05 . 1 . . . . 94 . . . 5482 1 632 . 1 1 57 57 ASN HB2 H 1 2.80 0.01 . 1 . . . . 94 . . . 5482 1 633 . 1 1 57 57 ASN HB3 H 1 2.80 0.01 . 1 . . . . 94 . . . 5482 1 634 . 1 1 57 57 ASN HD21 H 1 7.57 0.01 . 2 . . . . 94 . . . 5482 1 635 . 1 1 57 57 ASN HD22 H 1 6.91 0.01 . 2 . . . . 94 . . . 5482 1 636 . 1 1 58 58 ILE N N 15 117.8 0.05 . 1 . . . . 95 . . . 5482 1 637 . 1 1 58 58 ILE H H 1 8.05 0.01 . 1 . . . . 95 . . . 5482 1 638 . 1 1 58 58 ILE CA C 13 62.8 0.05 . 1 . . . . 95 . . . 5482 1 639 . 1 1 58 58 ILE HA H 1 4.01 0.01 . 1 . . . . 95 . . . 5482 1 640 . 1 1 58 58 ILE CB C 13 38.7 0.05 . 1 . . . . 95 . . . 5482 1 641 . 1 1 58 58 ILE HB H 1 1.91 0.01 . 1 . . . . 95 . . . 5482 1 642 . 1 1 58 58 ILE HG21 H 1 0.81 0.01 . 1 . . . . 95 . . . 5482 1 643 . 1 1 58 58 ILE HG22 H 1 0.81 0.01 . 1 . . . . 95 . . . 5482 1 644 . 1 1 58 58 ILE HG23 H 1 0.81 0.01 . 1 . . . . 95 . . . 5482 1 645 . 1 1 58 58 ILE CG2 C 13 17.3 0.05 . 1 . . . . 95 . . . 5482 1 646 . 1 1 58 58 ILE CG1 C 13 27.9 0.05 . 1 . . . . 95 . . . 5482 1 647 . 1 1 58 58 ILE HG12 H 1 1.49 0.01 . 2 . . . . 95 . . . 5482 1 648 . 1 1 58 58 ILE HG13 H 1 1.18 0.01 . 2 . . . . 95 . . . 5482 1 649 . 1 1 58 58 ILE HD11 H 1 0.81 0.01 . 1 . . . . 95 . . . 5482 1 650 . 1 1 58 58 ILE HD12 H 1 0.81 0.01 . 1 . . . . 95 . . . 5482 1 651 . 1 1 58 58 ILE HD13 H 1 0.81 0.01 . 1 . . . . 95 . . . 5482 1 652 . 1 1 58 58 ILE CD1 C 13 12.1 0.05 . 1 . . . . 95 . . . 5482 1 653 . 1 1 59 59 ASN N N 15 117.2 0.05 . 1 . . . . 96 . . . 5482 1 654 . 1 1 59 59 ASN H H 1 8.62 0.01 . 1 . . . . 96 . . . 5482 1 655 . 1 1 59 59 ASN HA H 1 4.79 0.01 . 1 . . . . 96 . . . 5482 1 656 . 1 1 59 59 ASN CB C 13 40.2 0.05 . 1 . . . . 96 . . . 5482 1 657 . 1 1 59 59 ASN HB2 H 1 2.53 0.01 . 1 . . . . 96 . . . 5482 1 658 . 1 1 59 59 ASN HB3 H 1 3.03 0.01 . 1 . . . . 96 . . . 5482 1 659 . 1 1 59 59 ASN ND2 N 15 117.6 0.05 . 1 . . . . 96 . . . 5482 1 660 . 1 1 59 59 ASN HD21 H 1 8.59 0.01 . 1 . . . . 96 . . . 5482 1 661 . 1 1 59 59 ASN HD22 H 1 7.03 0.01 . 1 . . . . 96 . . . 5482 1 662 . 1 1 60 60 LEU N N 15 118.2 0.05 . 1 . . . . 97 . . . 5482 1 663 . 1 1 60 60 LEU H H 1 8.24 0.01 . 1 . . . . 97 . . . 5482 1 664 . 1 1 60 60 LEU CA C 13 53.2 0.05 . 1 . . . . 97 . . . 5482 1 665 . 1 1 60 60 LEU HA H 1 4.99 0.01 . 1 . . . . 97 . . . 5482 1 666 . 1 1 60 60 LEU CB C 13 42.8 0.05 . 1 . . . . 97 . . . 5482 1 667 . 1 1 60 60 LEU HB2 H 1 1.74 0.01 . 2 . . . . 97 . . . 5482 1 668 . 1 1 60 60 LEU HB3 H 1 1.29 0.01 . 2 . . . . 97 . . . 5482 1 669 . 1 1 60 60 LEU CG C 13 27.0 0.05 . 1 . . . . 97 . . . 5482 1 670 . 1 1 60 60 LEU HG H 1 1.32 0.01 . 1 . . . . 97 . . . 5482 1 671 . 1 1 60 60 LEU HD11 H 1 0.74 0.01 . 1 . . . . 97 . . . 5482 1 672 . 1 1 60 60 LEU HD12 H 1 0.74 0.01 . 1 . . . . 97 . . . 5482 1 673 . 1 1 60 60 LEU HD13 H 1 0.74 0.01 . 1 . . . . 97 . . . 5482 1 674 . 1 1 60 60 LEU HD21 H 1 0.94 0.01 . 1 . . . . 97 . . . 5482 1 675 . 1 1 60 60 LEU HD22 H 1 0.94 0.01 . 1 . . . . 97 . . . 5482 1 676 . 1 1 60 60 LEU HD23 H 1 0.94 0.01 . 1 . . . . 97 . . . 5482 1 677 . 1 1 60 60 LEU CD1 C 13 28.0 0.05 . 1 . . . . 97 . . . 5482 1 678 . 1 1 60 60 LEU CD2 C 13 24.5 0.05 . 1 . . . . 97 . . . 5482 1 679 . 1 1 61 61 PRO CD C 13 50.9 0.05 . 1 . . . . 98 . . . 5482 1 680 . 1 1 61 61 PRO CA C 13 65.8 0.05 . 1 . . . . 98 . . . 5482 1 681 . 1 1 61 61 PRO HA H 1 4.41 0.01 . 1 . . . . 98 . . . 5482 1 682 . 1 1 61 61 PRO CB C 13 32.1 0.05 . 1 . . . . 98 . . . 5482 1 683 . 1 1 61 61 PRO HB2 H 1 2.34 0.01 . 1 . . . . 98 . . . 5482 1 684 . 1 1 61 61 PRO HB3 H 1 2.03 0.01 . 1 . . . . 98 . . . 5482 1 685 . 1 1 61 61 PRO CG C 13 28.0 0.05 . 1 . . . . 98 . . . 5482 1 686 . 1 1 61 61 PRO HG2 H 1 2.05 0.01 . 2 . . . . 98 . . . 5482 1 687 . 1 1 61 61 PRO HG3 H 1 1.96 0.01 . 2 . . . . 98 . . . 5482 1 688 . 1 1 61 61 PRO HD2 H 1 3.58 0.01 . 2 . . . . 98 . . . 5482 1 689 . 1 1 61 61 PRO HD3 H 1 3.32 0.01 . 2 . . . . 98 . . . 5482 1 690 . 1 1 62 62 GLN N N 15 115.3 0.05 . 1 . . . . 99 . . . 5482 1 691 . 1 1 62 62 GLN H H 1 7.87 0.01 . 1 . . . . 99 . . . 5482 1 692 . 1 1 62 62 GLN HA H 1 4.72 0.01 . 1 . . . . 99 . . . 5482 1 693 . 1 1 62 62 GLN CB C 13 29.1 0.05 . 1 . . . . 99 . . . 5482 1 694 . 1 1 62 62 GLN HB2 H 1 2.45 0.01 . 2 . . . . 99 . . . 5482 1 695 . 1 1 62 62 GLN HB3 H 1 1.73 0.01 . 2 . . . . 99 . . . 5482 1 696 . 1 1 62 62 GLN CG C 13 34.6 0.05 . 1 . . . . 99 . . . 5482 1 697 . 1 1 62 62 GLN HG2 H 1 2.35 0.01 . 2 . . . . 99 . . . 5482 1 698 . 1 1 62 62 GLN HG3 H 1 2.31 0.01 . 2 . . . . 99 . . . 5482 1 699 . 1 1 62 62 GLN NE2 N 15 111.7 0.05 . 1 . . . . 99 . . . 5482 1 700 . 1 1 62 62 GLN HE21 H 1 7.55 0.01 . 1 . . . . 99 . . . 5482 1 701 . 1 1 62 62 GLN HE22 H 1 6.81 0.01 . 1 . . . . 99 . . . 5482 1 702 . 1 1 63 63 GLY N N 15 105.7 0.05 . 1 . . . . 100 . . . 5482 1 703 . 1 1 63 63 GLY H H 1 7.67 0.01 . 1 . . . . 100 . . . 5482 1 704 . 1 1 63 63 GLY CA C 13 45.3 0.05 . 1 . . . . 100 . . . 5482 1 705 . 1 1 63 63 GLY HA2 H 1 3.89 0.01 . 2 . . . . 100 . . . 5482 1 706 . 1 1 63 63 GLY HA3 H 1 4.02 0.01 . 2 . . . . 100 . . . 5482 1 707 . 1 1 64 64 VAL N N 15 120.4 0.05 . 1 . . . . 101 . . . 5482 1 708 . 1 1 64 64 VAL H H 1 8.44 0.01 . 1 . . . . 101 . . . 5482 1 709 . 1 1 64 64 VAL CA C 13 64.2 0.05 . 1 . . . . 101 . . . 5482 1 710 . 1 1 64 64 VAL HA H 1 3.59 0.01 . 1 . . . . 101 . . . 5482 1 711 . 1 1 64 64 VAL CB C 13 30.5 0.05 . 1 . . . . 101 . . . 5482 1 712 . 1 1 64 64 VAL HB H 1 2.03 0.01 . 1 . . . . 101 . . . 5482 1 713 . 1 1 64 64 VAL HG11 H 1 0.67 0.01 . 1 . . . . 101 . . . 5482 1 714 . 1 1 64 64 VAL HG12 H 1 0.67 0.01 . 1 . . . . 101 . . . 5482 1 715 . 1 1 64 64 VAL HG13 H 1 0.67 0.01 . 1 . . . . 101 . . . 5482 1 716 . 1 1 64 64 VAL HG21 H 1 0.66 0.01 . 1 . . . . 101 . . . 5482 1 717 . 1 1 64 64 VAL HG22 H 1 0.66 0.01 . 1 . . . . 101 . . . 5482 1 718 . 1 1 64 64 VAL HG23 H 1 0.66 0.01 . 1 . . . . 101 . . . 5482 1 719 . 1 1 64 64 VAL CG1 C 13 21.8 0.05 . 1 . . . . 101 . . . 5482 1 720 . 1 1 64 64 VAL CG2 C 13 22.7 0.05 . 1 . . . . 101 . . . 5482 1 721 . 1 1 65 65 ARG N N 15 125.4 0.05 . 1 . . . . 102 . . . 5482 1 722 . 1 1 65 65 ARG H H 1 8.24 0.01 . 1 . . . . 102 . . . 5482 1 723 . 1 1 65 65 ARG CA C 13 56.2 0.05 . 1 . . . . 102 . . . 5482 1 724 . 1 1 65 65 ARG HA H 1 4.19 0.01 . 1 . . . . 102 . . . 5482 1 725 . 1 1 65 65 ARG CB C 13 33.7 0.05 . 1 . . . . 102 . . . 5482 1 726 . 1 1 65 65 ARG HB2 H 1 1.37 0.01 . 1 . . . . 102 . . . 5482 1 727 . 1 1 65 65 ARG HB3 H 1 1.18 0.01 . 1 . . . . 102 . . . 5482 1 728 . 1 1 65 65 ARG CG C 13 27.8 0.05 . 1 . . . . 102 . . . 5482 1 729 . 1 1 65 65 ARG HG2 H 1 1.48 0.01 . 2 . . . . 102 . . . 5482 1 730 . 1 1 65 65 ARG HG3 H 1 1.30 0.01 . 2 . . . . 102 . . . 5482 1 731 . 1 1 65 65 ARG CD C 13 43.6 0.05 . 1 . . . . 102 . . . 5482 1 732 . 1 1 65 65 ARG HD2 H 1 3.19 0.01 . 1 . . . . 102 . . . 5482 1 733 . 1 1 65 65 ARG HD3 H 1 3.19 0.01 . 1 . . . . 102 . . . 5482 1 734 . 1 1 65 65 ARG NE N 15 84.5 0.05 . 1 . . . . 102 . . . 5482 1 735 . 1 1 65 65 ARG HE H 1 7.10 0.01 . 1 . . . . 102 . . . 5482 1 736 . 1 1 66 66 TYR N N 15 115.6 0.05 . 1 . . . . 103 . . . 5482 1 737 . 1 1 66 66 TYR H H 1 8.25 0.01 . 1 . . . . 103 . . . 5482 1 738 . 1 1 66 66 TYR HA H 1 4.72 0.01 . 1 . . . . 103 . . . 5482 1 739 . 1 1 66 66 TYR CB C 13 43.9 0.05 . 1 . . . . 103 . . . 5482 1 740 . 1 1 66 66 TYR HB2 H 1 2.49 0.01 . 1 . . . . 103 . . . 5482 1 741 . 1 1 66 66 TYR HB3 H 1 2.71 0.01 . 1 . . . . 103 . . . 5482 1 742 . 1 1 66 66 TYR HD1 H 1 6.78 0.01 . 1 . . . . 103 . . . 5482 1 743 . 1 1 66 66 TYR HD2 H 1 6.78 0.01 . 1 . . . . 103 . . . 5482 1 744 . 1 1 66 66 TYR HE1 H 1 6.69 0.01 . 1 . . . . 103 . . . 5482 1 745 . 1 1 66 66 TYR HE2 H 1 6.69 0.01 . 1 . . . . 103 . . . 5482 1 746 . 1 1 66 66 TYR CD1 C 13 133.9 0.05 . 1 . . . . 103 . . . 5482 1 747 . 1 1 66 66 TYR CE1 C 13 117.9 0.05 . 1 . . . . 103 . . . 5482 1 748 . 1 1 67 67 ILE N N 15 121.7 0.05 . 1 . . . . 104 . . . 5482 1 749 . 1 1 67 67 ILE H H 1 9.32 0.01 . 1 . . . . 104 . . . 5482 1 750 . 1 1 67 67 ILE HA H 1 4.85 0.01 . 1 . . . . 104 . . . 5482 1 751 . 1 1 67 67 ILE CB C 13 40.7 0.05 . 1 . . . . 104 . . . 5482 1 752 . 1 1 67 67 ILE HB H 1 1.75 0.01 . 1 . . . . 104 . . . 5482 1 753 . 1 1 67 67 ILE HG21 H 1 0.91 0.01 . 1 . . . . 104 . . . 5482 1 754 . 1 1 67 67 ILE HG22 H 1 0.91 0.01 . 1 . . . . 104 . . . 5482 1 755 . 1 1 67 67 ILE HG23 H 1 0.91 0.01 . 1 . . . . 104 . . . 5482 1 756 . 1 1 67 67 ILE CG2 C 13 19.6 0.05 . 1 . . . . 104 . . . 5482 1 757 . 1 1 67 67 ILE CG1 C 13 27.5 0.05 . 1 . . . . 104 . . . 5482 1 758 . 1 1 67 67 ILE HG12 H 1 1.26 0.01 . 2 . . . . 104 . . . 5482 1 759 . 1 1 67 67 ILE HG13 H 1 0.87 0.01 . 2 . . . . 104 . . . 5482 1 760 . 1 1 67 67 ILE HD11 H 1 0.39 0.01 . 1 . . . . 104 . . . 5482 1 761 . 1 1 67 67 ILE HD12 H 1 0.39 0.01 . 1 . . . . 104 . . . 5482 1 762 . 1 1 67 67 ILE HD13 H 1 0.39 0.01 . 1 . . . . 104 . . . 5482 1 763 . 1 1 67 67 ILE CD1 C 13 13.7 0.05 . 1 . . . . 104 . . . 5482 1 764 . 1 1 68 68 TYR N N 15 125.5 0.05 . 1 . . . . 105 . . . 5482 1 765 . 1 1 68 68 TYR H H 1 9.66 0.01 . 1 . . . . 105 . . . 5482 1 766 . 1 1 68 68 TYR CA C 13 57.7 0.05 . 1 . . . . 105 . . . 5482 1 767 . 1 1 68 68 TYR HA H 1 5.52 0.01 . 1 . . . . 105 . . . 5482 1 768 . 1 1 68 68 TYR CB C 13 44.6 0.05 . 1 . . . . 105 . . . 5482 1 769 . 1 1 68 68 TYR HB2 H 1 2.95 0.01 . 1 . . . . 105 . . . 5482 1 770 . 1 1 68 68 TYR HB3 H 1 3.37 0.01 . 1 . . . . 105 . . . 5482 1 771 . 1 1 68 68 TYR HD1 H 1 6.82 0.01 . 1 . . . . 105 . . . 5482 1 772 . 1 1 68 68 TYR HD2 H 1 6.82 0.01 . 1 . . . . 105 . . . 5482 1 773 . 1 1 68 68 TYR HE1 H 1 6.67 0.01 . 1 . . . . 105 . . . 5482 1 774 . 1 1 68 68 TYR HE2 H 1 6.67 0.01 . 1 . . . . 105 . . . 5482 1 775 . 1 1 68 68 TYR CD1 C 13 132.8 0.05 . 1 . . . . 105 . . . 5482 1 776 . 1 1 68 68 TYR CE1 C 13 118.0 0.05 . 1 . . . . 105 . . . 5482 1 777 . 1 1 69 69 THR N N 15 109.3 0.05 . 1 . . . . 106 . . . 5482 1 778 . 1 1 69 69 THR H H 1 8.60 0.01 . 1 . . . . 106 . . . 5482 1 779 . 1 1 69 69 THR CA C 13 63.3 0.05 . 1 . . . . 106 . . . 5482 1 780 . 1 1 69 69 THR HA H 1 4.61 0.01 . 1 . . . . 106 . . . 5482 1 781 . 1 1 69 69 THR HB H 1 4.79 0.01 . 1 . . . . 106 . . . 5482 1 782 . 1 1 69 69 THR HG21 H 1 1.45 0.01 . 1 . . . . 106 . . . 5482 1 783 . 1 1 69 69 THR HG22 H 1 1.45 0.01 . 1 . . . . 106 . . . 5482 1 784 . 1 1 69 69 THR HG23 H 1 1.45 0.01 . 1 . . . . 106 . . . 5482 1 785 . 1 1 69 69 THR HG1 H 1 4.50 0.01 . 1 . . . . 106 . . . 5482 1 786 . 1 1 69 69 THR CG2 C 13 24.7 0.05 . 1 . . . . 106 . . . 5482 1 787 . 1 1 70 70 ILE N N 15 119.1 0.05 . 1 . . . . 107 . . . 5482 1 788 . 1 1 70 70 ILE H H 1 8.22 0.01 . 1 . . . . 107 . . . 5482 1 789 . 1 1 70 70 ILE CA C 13 61.1 0.05 . 1 . . . . 107 . . . 5482 1 790 . 1 1 70 70 ILE HA H 1 4.01 0.01 . 1 . . . . 107 . . . 5482 1 791 . 1 1 70 70 ILE CB C 13 39.2 0.05 . 1 . . . . 107 . . . 5482 1 792 . 1 1 70 70 ILE HB H 1 1.68 0.01 . 1 . . . . 107 . . . 5482 1 793 . 1 1 70 70 ILE HG21 H 1 0.90 0.01 . 1 . . . . 107 . . . 5482 1 794 . 1 1 70 70 ILE HG22 H 1 0.90 0.01 . 1 . . . . 107 . . . 5482 1 795 . 1 1 70 70 ILE HG23 H 1 0.90 0.01 . 1 . . . . 107 . . . 5482 1 796 . 1 1 70 70 ILE CG2 C 13 18.7 0.05 . 1 . . . . 107 . . . 5482 1 797 . 1 1 70 70 ILE CG1 C 13 28.8 0.05 . 1 . . . . 107 . . . 5482 1 798 . 1 1 70 70 ILE HG12 H 1 1.35 0.01 . 2 . . . . 107 . . . 5482 1 799 . 1 1 70 70 ILE HG13 H 1 1.26 0.01 . 2 . . . . 107 . . . 5482 1 800 . 1 1 70 70 ILE HD11 H 1 0.43 0.01 . 1 . . . . 107 . . . 5482 1 801 . 1 1 70 70 ILE HD12 H 1 0.43 0.01 . 1 . . . . 107 . . . 5482 1 802 . 1 1 70 70 ILE HD13 H 1 0.43 0.01 . 1 . . . . 107 . . . 5482 1 803 . 1 1 70 70 ILE CD1 C 13 15.0 0.05 . 1 . . . . 107 . . . 5482 1 804 . 1 1 71 71 ASP N N 15 115.5 0.05 . 1 . . . . 108 . . . 5482 1 805 . 1 1 71 71 ASP H H 1 7.56 0.01 . 1 . . . . 108 . . . 5482 1 806 . 1 1 71 71 ASP CA C 13 52.2 0.05 . 1 . . . . 108 . . . 5482 1 807 . 1 1 71 71 ASP HA H 1 4.62 0.01 . 1 . . . . 108 . . . 5482 1 808 . 1 1 71 71 ASP CB C 13 41.3 0.05 . 1 . . . . 108 . . . 5482 1 809 . 1 1 71 71 ASP HB2 H 1 3.05 0.01 . 2 . . . . 108 . . . 5482 1 810 . 1 1 71 71 ASP HB3 H 1 2.57 0.01 . 2 . . . . 108 . . . 5482 1 811 . 1 1 72 72 GLY N N 15 112.4 0.05 . 1 . . . . 109 . . . 5482 1 812 . 1 1 72 72 GLY H H 1 7.95 0.01 . 1 . . . . 109 . . . 5482 1 813 . 1 1 72 72 GLY CA C 13 44.5 0.05 . 1 . . . . 109 . . . 5482 1 814 . 1 1 72 72 GLY HA2 H 1 2.22 0.01 . 2 . . . . 109 . . . 5482 1 815 . 1 1 72 72 GLY HA3 H 1 2.35 0.01 . 2 . . . . 109 . . . 5482 1 816 . 1 1 73 73 SER N N 15 114.7 0.05 . 1 . . . . 110 . . . 5482 1 817 . 1 1 73 73 SER H H 1 7.75 0.01 . 1 . . . . 110 . . . 5482 1 818 . 1 1 73 73 SER CA C 13 61.1 0.05 . 1 . . . . 110 . . . 5482 1 819 . 1 1 73 73 SER HA H 1 3.93 0.01 . 1 . . . . 110 . . . 5482 1 820 . 1 1 73 73 SER CB C 13 63.9 0.05 . 1 . . . . 110 . . . 5482 1 821 . 1 1 73 73 SER HB2 H 1 3.83 0.01 . 2 . . . . 110 . . . 5482 1 822 . 1 1 73 73 SER HB3 H 1 3.71 0.01 . 2 . . . . 110 . . . 5482 1 823 . 1 1 74 74 ARG N N 15 119.4 0.05 . 1 . . . . 111 . . . 5482 1 824 . 1 1 74 74 ARG H H 1 7.62 0.01 . 1 . . . . 111 . . . 5482 1 825 . 1 1 74 74 ARG CA C 13 55.7 0.05 . 1 . . . . 111 . . . 5482 1 826 . 1 1 74 74 ARG HA H 1 4.67 0.01 . 1 . . . . 111 . . . 5482 1 827 . 1 1 74 74 ARG CB C 13 34.1 0.05 . 1 . . . . 111 . . . 5482 1 828 . 1 1 74 74 ARG HB2 H 1 1.85 0.01 . 2 . . . . 111 . . . 5482 1 829 . 1 1 74 74 ARG HB3 H 1 1.75 0.01 . 2 . . . . 111 . . . 5482 1 830 . 1 1 74 74 ARG CG C 13 27.5 0.05 . 1 . . . . 111 . . . 5482 1 831 . 1 1 74 74 ARG HG2 H 1 1.54 0.01 . 2 . . . . 111 . . . 5482 1 832 . 1 1 74 74 ARG HG3 H 1 1.48 0.01 . 2 . . . . 111 . . . 5482 1 833 . 1 1 74 74 ARG CD C 13 44.0 0.05 . 1 . . . . 111 . . . 5482 1 834 . 1 1 74 74 ARG HD2 H 1 3.21 0.01 . 2 . . . . 111 . . . 5482 1 835 . 1 1 74 74 ARG HD3 H 1 3.16 0.01 . 2 . . . . 111 . . . 5482 1 836 . 1 1 74 74 ARG NE N 15 84.6 0.05 . 1 . . . . 111 . . . 5482 1 837 . 1 1 74 74 ARG HE H 1 7.26 0.01 . 1 . . . . 111 . . . 5482 1 838 . 1 1 75 75 LYS N N 15 121.1 0.05 . 1 . . . . 112 . . . 5482 1 839 . 1 1 75 75 LYS H H 1 8.29 0.01 . 1 . . . . 112 . . . 5482 1 840 . 1 1 75 75 LYS HA H 1 4.73 0.01 . 1 . . . . 112 . . . 5482 1 841 . 1 1 75 75 LYS CB C 13 34.1 0.05 . 1 . . . . 112 . . . 5482 1 842 . 1 1 75 75 LYS HB2 H 1 1.54 0.01 . 2 . . . . 112 . . . 5482 1 843 . 1 1 75 75 LYS HB3 H 1 1.42 0.01 . 2 . . . . 112 . . . 5482 1 844 . 1 1 75 75 LYS CG C 13 25.0 0.05 . 1 . . . . 112 . . . 5482 1 845 . 1 1 75 75 LYS HG2 H 1 0.99 0.01 . 2 . . . . 112 . . . 5482 1 846 . 1 1 75 75 LYS HG3 H 1 0.65 0.01 . 2 . . . . 112 . . . 5482 1 847 . 1 1 75 75 LYS CD C 13 29.9 0.05 . 1 . . . . 112 . . . 5482 1 848 . 1 1 75 75 LYS HD2 H 1 1.44 0.01 . 1 . . . . 112 . . . 5482 1 849 . 1 1 75 75 LYS HD3 H 1 1.44 0.01 . 1 . . . . 112 . . . 5482 1 850 . 1 1 75 75 LYS CE C 13 42.0 0.05 . 1 . . . . 112 . . . 5482 1 851 . 1 1 75 75 LYS HE2 H 1 2.75 0.01 . 2 . . . . 112 . . . 5482 1 852 . 1 1 75 75 LYS HE3 H 1 2.69 0.01 . 2 . . . . 112 . . . 5482 1 853 . 1 1 76 76 ILE N N 15 125.8 0.05 . 1 . . . . 113 . . . 5482 1 854 . 1 1 76 76 ILE H H 1 8.89 0.01 . 1 . . . . 113 . . . 5482 1 855 . 1 1 76 76 ILE CA C 13 58.7 0.05 . 1 . . . . 113 . . . 5482 1 856 . 1 1 76 76 ILE HA H 1 4.10 0.01 . 1 . . . . 113 . . . 5482 1 857 . 1 1 76 76 ILE CB C 13 37.3 0.05 . 1 . . . . 113 . . . 5482 1 858 . 1 1 76 76 ILE HB H 1 1.81 0.01 . 1 . . . . 113 . . . 5482 1 859 . 1 1 76 76 ILE HG21 H 1 0.73 0.01 . 1 . . . . 113 . . . 5482 1 860 . 1 1 76 76 ILE HG22 H 1 0.73 0.01 . 1 . . . . 113 . . . 5482 1 861 . 1 1 76 76 ILE HG23 H 1 0.73 0.01 . 1 . . . . 113 . . . 5482 1 862 . 1 1 76 76 ILE CG2 C 13 18.5 0.05 . 1 . . . . 113 . . . 5482 1 863 . 1 1 76 76 ILE CG1 C 13 27.1 0.05 . 1 . . . . 113 . . . 5482 1 864 . 1 1 76 76 ILE HG12 H 1 1.43 0.01 . 2 . . . . 113 . . . 5482 1 865 . 1 1 76 76 ILE HG13 H 1 1.13 0.01 . 2 . . . . 113 . . . 5482 1 866 . 1 1 76 76 ILE HD11 H 1 0.69 0.01 . 1 . . . . 113 . . . 5482 1 867 . 1 1 76 76 ILE HD12 H 1 0.69 0.01 . 1 . . . . 113 . . . 5482 1 868 . 1 1 76 76 ILE HD13 H 1 0.69 0.01 . 1 . . . . 113 . . . 5482 1 869 . 1 1 76 76 ILE CD1 C 13 10.5 0.05 . 1 . . . . 113 . . . 5482 1 870 . 1 1 77 77 GLY N N 15 112.4 0.05 . 1 . . . . 114 . . . 5482 1 871 . 1 1 77 77 GLY H H 1 8.83 0.01 . 1 . . . . 114 . . . 5482 1 872 . 1 1 77 77 GLY CA C 13 44.7 0.05 . 1 . . . . 114 . . . 5482 1 873 . 1 1 77 77 GLY HA2 H 1 3.40 0.01 . 2 . . . . 114 . . . 5482 1 874 . 1 1 77 77 GLY HA3 H 1 4.13 0.01 . 2 . . . . 114 . . . 5482 1 875 . 1 1 78 78 SER N N 15 112.0 0.05 . 1 . . . . 115 . . . 5482 1 876 . 1 1 78 78 SER H H 1 6.87 0.01 . 1 . . . . 115 . . . 5482 1 877 . 1 1 78 78 SER CA C 13 56.9 0.05 . 1 . . . . 115 . . . 5482 1 878 . 1 1 78 78 SER HA H 1 3.86 0.01 . 1 . . . . 115 . . . 5482 1 879 . 1 1 78 78 SER CB C 13 65.5 0.05 . 1 . . . . 115 . . . 5482 1 880 . 1 1 78 78 SER HB2 H 1 3.89 0.01 . 2 . . . . 115 . . . 5482 1 881 . 1 1 78 78 SER HB3 H 1 3.56 0.01 . 2 . . . . 115 . . . 5482 1 882 . 1 1 79 79 MET N N 15 121.0 0.05 . 1 . . . . 116 . . . 5482 1 883 . 1 1 79 79 MET H H 1 9.18 0.01 . 1 . . . . 116 . . . 5482 1 884 . 1 1 79 79 MET CA C 13 58.9 0.05 . 1 . . . . 116 . . . 5482 1 885 . 1 1 79 79 MET HA H 1 3.95 0.01 . 1 . . . . 116 . . . 5482 1 886 . 1 1 79 79 MET CB C 13 33.2 0.05 . 1 . . . . 116 . . . 5482 1 887 . 1 1 79 79 MET HB2 H 1 2.06 0.01 . 1 . . . . 116 . . . 5482 1 888 . 1 1 79 79 MET HB3 H 1 2.13 0.01 . 1 . . . . 116 . . . 5482 1 889 . 1 1 79 79 MET CG C 13 33.5 0.05 . 1 . . . . 116 . . . 5482 1 890 . 1 1 79 79 MET HG2 H 1 2.64 0.01 . 2 . . . . 116 . . . 5482 1 891 . 1 1 79 79 MET HG3 H 1 2.45 0.01 . 2 . . . . 116 . . . 5482 1 892 . 1 1 79 79 MET HE1 H 1 2.06 0.01 . 1 . . . . 116 . . . 5482 1 893 . 1 1 79 79 MET HE2 H 1 2.06 0.01 . 1 . . . . 116 . . . 5482 1 894 . 1 1 79 79 MET HE3 H 1 2.06 0.01 . 1 . . . . 116 . . . 5482 1 895 . 1 1 79 79 MET CE C 13 17.3 0.05 . 1 . . . . 116 . . . 5482 1 896 . 1 1 80 80 ASP N N 15 117.1 0.05 . 1 . . . . 117 . . . 5482 1 897 . 1 1 80 80 ASP H H 1 8.14 0.01 . 1 . . . . 117 . . . 5482 1 898 . 1 1 80 80 ASP CA C 13 56.6 0.05 . 1 . . . . 117 . . . 5482 1 899 . 1 1 80 80 ASP HA H 1 4.31 0.01 . 1 . . . . 117 . . . 5482 1 900 . 1 1 80 80 ASP CB C 13 40.8 0.05 . 1 . . . . 117 . . . 5482 1 901 . 1 1 80 80 ASP HB2 H 1 2.50 0.01 . 1 . . . . 117 . . . 5482 1 902 . 1 1 80 80 ASP HB3 H 1 2.67 0.01 . 1 . . . . 117 . . . 5482 1 903 . 1 1 81 81 GLU N N 15 115.3 0.05 . 1 . . . . 118 . . . 5482 1 904 . 1 1 81 81 GLU H H 1 7.00 0.01 . 1 . . . . 118 . . . 5482 1 905 . 1 1 81 81 GLU CA C 13 56.8 0.05 . 1 . . . . 118 . . . 5482 1 906 . 1 1 81 81 GLU HA H 1 4.08 0.01 . 1 . . . . 118 . . . 5482 1 907 . 1 1 81 81 GLU CB C 13 32.1 0.05 . 1 . . . . 118 . . . 5482 1 908 . 1 1 81 81 GLU HB2 H 1 2.21 0.01 . 2 . . . . 118 . . . 5482 1 909 . 1 1 81 81 GLU HB3 H 1 2.06 0.01 . 2 . . . . 118 . . . 5482 1 910 . 1 1 81 81 GLU CG C 13 37.6 0.05 . 1 . . . . 118 . . . 5482 1 911 . 1 1 81 81 GLU HG2 H 1 2.21 0.01 . 2 . . . . 118 . . . 5482 1 912 . 1 1 81 81 GLU HG3 H 1 2.12 0.01 . 2 . . . . 118 . . . 5482 1 913 . 1 1 82 82 LEU N N 15 118.0 0.05 . 1 . . . . 119 . . . 5482 1 914 . 1 1 82 82 LEU H H 1 6.92 0.01 . 1 . . . . 119 . . . 5482 1 915 . 1 1 82 82 LEU CA C 13 54.8 0.05 . 1 . . . . 119 . . . 5482 1 916 . 1 1 82 82 LEU HA H 1 4.15 0.01 . 1 . . . . 119 . . . 5482 1 917 . 1 1 82 82 LEU CB C 13 42.3 0.05 . 1 . . . . 119 . . . 5482 1 918 . 1 1 82 82 LEU HB2 H 1 1.86 0.01 . 1 . . . . 119 . . . 5482 1 919 . 1 1 82 82 LEU HB3 H 1 0.99 0.01 . 1 . . . . 119 . . . 5482 1 920 . 1 1 82 82 LEU CG C 13 26.3 0.05 . 1 . . . . 119 . . . 5482 1 921 . 1 1 82 82 LEU HG H 1 1.59 0.01 . 1 . . . . 119 . . . 5482 1 922 . 1 1 82 82 LEU HD11 H 1 0.86 0.01 . 2 . . . . 119 . . . 5482 1 923 . 1 1 82 82 LEU HD12 H 1 0.86 0.01 . 2 . . . . 119 . . . 5482 1 924 . 1 1 82 82 LEU HD13 H 1 0.86 0.01 . 2 . . . . 119 . . . 5482 1 925 . 1 1 82 82 LEU HD21 H 1 0.05 0.01 . 2 . . . . 119 . . . 5482 1 926 . 1 1 82 82 LEU HD22 H 1 0.05 0.01 . 2 . . . . 119 . . . 5482 1 927 . 1 1 82 82 LEU HD23 H 1 0.05 0.01 . 2 . . . . 119 . . . 5482 1 928 . 1 1 82 82 LEU CD1 C 13 27.8 0.05 . 1 . . . . 119 . . . 5482 1 929 . 1 1 82 82 LEU CD2 C 13 23.0 0.05 . 1 . . . . 119 . . . 5482 1 930 . 1 1 83 83 GLU N N 15 123.0 0.05 . 1 . . . . 120 . . . 5482 1 931 . 1 1 83 83 GLU H H 1 8.59 0.01 . 1 . . . . 120 . . . 5482 1 932 . 1 1 83 83 GLU CA C 13 55.3 0.05 . 1 . . . . 120 . . . 5482 1 933 . 1 1 83 83 GLU HA H 1 4.56 0.01 . 1 . . . . 120 . . . 5482 1 934 . 1 1 83 83 GLU CB C 13 33.2 0.05 . 1 . . . . 120 . . . 5482 1 935 . 1 1 83 83 GLU HB2 H 1 1.82 0.01 . 1 . . . . 120 . . . 5482 1 936 . 1 1 83 83 GLU HB3 H 1 2.02 0.01 . 1 . . . . 120 . . . 5482 1 937 . 1 1 83 83 GLU CG C 13 36.8 0.05 . 1 . . . . 120 . . . 5482 1 938 . 1 1 83 83 GLU HG2 H 1 2.31 0.01 . 2 . . . . 120 . . . 5482 1 939 . 1 1 83 83 GLU HG3 H 1 2.16 0.01 . 2 . . . . 120 . . . 5482 1 940 . 1 1 84 84 GLU N N 15 121.5 0.05 . 1 . . . . 121 . . . 5482 1 941 . 1 1 84 84 GLU H H 1 8.57 0.01 . 1 . . . . 121 . . . 5482 1 942 . 1 1 84 84 GLU CA C 13 57.6 0.05 . 1 . . . . 121 . . . 5482 1 943 . 1 1 84 84 GLU HA H 1 4.06 0.01 . 1 . . . . 121 . . . 5482 1 944 . 1 1 84 84 GLU CB C 13 30.4 0.05 . 1 . . . . 121 . . . 5482 1 945 . 1 1 84 84 GLU HB2 H 1 2.16 0.01 . 2 . . . . 121 . . . 5482 1 946 . 1 1 84 84 GLU HB3 H 1 1.91 0.01 . 2 . . . . 121 . . . 5482 1 947 . 1 1 84 84 GLU CG C 13 35.6 0.05 . 1 . . . . 121 . . . 5482 1 948 . 1 1 84 84 GLU HG2 H 1 2.39 0.01 . 2 . . . . 121 . . . 5482 1 949 . 1 1 84 84 GLU HG3 H 1 2.18 0.01 . 2 . . . . 121 . . . 5482 1 950 . 1 1 85 85 GLY N N 15 114.7 0.05 . 1 . . . . 122 . . . 5482 1 951 . 1 1 85 85 GLY H H 1 9.43 0.01 . 1 . . . . 122 . . . 5482 1 952 . 1 1 85 85 GLY CA C 13 45.9 0.05 . 1 . . . . 122 . . . 5482 1 953 . 1 1 85 85 GLY HA2 H 1 3.44 0.01 . 2 . . . . 122 . . . 5482 1 954 . 1 1 85 85 GLY HA3 H 1 4.14 0.01 . 2 . . . . 122 . . . 5482 1 955 . 1 1 86 86 GLU N N 15 120.9 0.05 . 1 . . . . 123 . . . 5482 1 956 . 1 1 86 86 GLU H H 1 7.98 0.01 . 1 . . . . 123 . . . 5482 1 957 . 1 1 86 86 GLU CA C 13 55.7 0.05 . 1 . . . . 123 . . . 5482 1 958 . 1 1 86 86 GLU HA H 1 4.62 0.01 . 1 . . . . 123 . . . 5482 1 959 . 1 1 86 86 GLU CB C 13 31.6 0.05 . 1 . . . . 123 . . . 5482 1 960 . 1 1 86 86 GLU HB2 H 1 2.46 0.01 . 1 . . . . 123 . . . 5482 1 961 . 1 1 86 86 GLU HB3 H 1 1.85 0.01 . 1 . . . . 123 . . . 5482 1 962 . 1 1 86 86 GLU CG C 13 37.4 0.05 . 1 . . . . 123 . . . 5482 1 963 . 1 1 86 86 GLU HG2 H 1 2.32 0.01 . 2 . . . . 123 . . . 5482 1 964 . 1 1 86 86 GLU HG3 H 1 2.06 0.01 . 2 . . . . 123 . . . 5482 1 965 . 1 1 87 87 SER N N 15 113.6 0.05 . 1 . . . . 124 . . . 5482 1 966 . 1 1 87 87 SER H H 1 8.07 0.01 . 1 . . . . 124 . . . 5482 1 967 . 1 1 87 87 SER CA C 13 57.7 0.05 . 1 . . . . 124 . . . 5482 1 968 . 1 1 87 87 SER HA H 1 5.61 0.01 . 1 . . . . 124 . . . 5482 1 969 . 1 1 87 87 SER CB C 13 66.5 0.05 . 1 . . . . 124 . . . 5482 1 970 . 1 1 87 87 SER HB2 H 1 3.54 0.01 . 1 . . . . 124 . . . 5482 1 971 . 1 1 87 87 SER HB3 H 1 3.74 0.01 . 1 . . . . 124 . . . 5482 1 972 . 1 1 88 88 TYR N N 15 118.8 0.05 . 1 . . . . 125 . . . 5482 1 973 . 1 1 88 88 TYR H H 1 8.92 0.01 . 1 . . . . 125 . . . 5482 1 974 . 1 1 88 88 TYR CA C 13 57.6 0.05 . 1 . . . . 125 . . . 5482 1 975 . 1 1 88 88 TYR HA H 1 4.99 0.01 . 1 . . . . 125 . . . 5482 1 976 . 1 1 88 88 TYR CB C 13 43.9 0.05 . 1 . . . . 125 . . . 5482 1 977 . 1 1 88 88 TYR HB2 H 1 2.47 0.01 . 1 . . . . 125 . . . 5482 1 978 . 1 1 88 88 TYR HB3 H 1 3.32 0.01 . 1 . . . . 125 . . . 5482 1 979 . 1 1 88 88 TYR HD1 H 1 6.75 0.01 . 1 . . . . 125 . . . 5482 1 980 . 1 1 88 88 TYR HD2 H 1 6.75 0.01 . 1 . . . . 125 . . . 5482 1 981 . 1 1 88 88 TYR HE1 H 1 6.69 0.01 . 1 . . . . 125 . . . 5482 1 982 . 1 1 88 88 TYR HE2 H 1 6.69 0.01 . 1 . . . . 125 . . . 5482 1 983 . 1 1 88 88 TYR CE1 C 13 118.4 0.05 . 1 . . . . 125 . . . 5482 1 984 . 1 1 89 89 VAL N N 15 121.4 0.05 . 1 . . . . 126 . . . 5482 1 985 . 1 1 89 89 VAL H H 1 9.76 0.01 . 1 . . . . 126 . . . 5482 1 986 . 1 1 89 89 VAL CA C 13 62.5 0.05 . 1 . . . . 126 . . . 5482 1 987 . 1 1 89 89 VAL HA H 1 4.20 0.01 . 1 . . . . 126 . . . 5482 1 988 . 1 1 89 89 VAL CB C 13 35.3 0.05 . 1 . . . . 126 . . . 5482 1 989 . 1 1 89 89 VAL HB H 1 2.00 0.01 . 1 . . . . 126 . . . 5482 1 990 . 1 1 89 89 VAL HG11 H 1 0.81 0.01 . 1 . . . . 126 . . . 5482 1 991 . 1 1 89 89 VAL HG12 H 1 0.81 0.01 . 1 . . . . 126 . . . 5482 1 992 . 1 1 89 89 VAL HG13 H 1 0.81 0.01 . 1 . . . . 126 . . . 5482 1 993 . 1 1 89 89 VAL HG21 H 1 0.45 0.01 . 1 . . . . 126 . . . 5482 1 994 . 1 1 89 89 VAL HG22 H 1 0.45 0.01 . 1 . . . . 126 . . . 5482 1 995 . 1 1 89 89 VAL HG23 H 1 0.45 0.01 . 1 . . . . 126 . . . 5482 1 996 . 1 1 89 89 VAL CG1 C 13 21.1 0.05 . 1 . . . . 126 . . . 5482 1 997 . 1 1 89 89 VAL CG2 C 13 22.0 0.05 . 1 . . . . 126 . . . 5482 1 998 . 1 1 90 90 CYS N N 15 125.9 0.05 . 1 . . . . 127 . . . 5482 1 999 . 1 1 90 90 CYS H H 1 8.80 0.01 . 1 . . . . 127 . . . 5482 1 1000 . 1 1 90 90 CYS CA C 13 59.5 0.05 . 1 . . . . 127 . . . 5482 1 1001 . 1 1 90 90 CYS HA H 1 5.01 0.01 . 1 . . . . 127 . . . 5482 1 1002 . 1 1 90 90 CYS CB C 13 30.4 0.05 . 1 . . . . 127 . . . 5482 1 1003 . 1 1 90 90 CYS HB2 H 1 2.93 0.01 . 2 . . . . 127 . . . 5482 1 1004 . 1 1 90 90 CYS HB3 H 1 2.84 0.01 . 2 . . . . 127 . . . 5482 1 1005 . 1 1 90 90 CYS HG H 1 1.55 0.01 . 1 . . . . 127 . . . 5482 1 1006 . 1 1 91 91 SER N N 15 116.0 0.05 . 1 . . . . 128 . . . 5482 1 1007 . 1 1 91 91 SER H H 1 9.46 0.01 . 1 . . . . 128 . . . 5482 1 1008 . 1 1 91 91 SER CA C 13 56.8 0.05 . 1 . . . . 128 . . . 5482 1 1009 . 1 1 91 91 SER HA H 1 5.28 0.01 . 1 . . . . 128 . . . 5482 1 1010 . 1 1 91 91 SER CB C 13 67.1 0.05 . 1 . . . . 128 . . . 5482 1 1011 . 1 1 91 91 SER HB2 H 1 4.12 0.01 . 1 . . . . 128 . . . 5482 1 1012 . 1 1 91 91 SER HB3 H 1 3.81 0.01 . 1 . . . . 128 . . . 5482 1 1013 . 1 1 92 92 SER N N 15 125.6 0.05 . 1 . . . . 129 . . . 5482 1 1014 . 1 1 92 92 SER H H 1 10.26 0.01 . 1 . . . . 129 . . . 5482 1 1015 . 1 1 92 92 SER CB C 13 65.8 0.05 . 1 . . . . 129 . . . 5482 1 1016 . 1 1 92 92 SER HB2 H 1 4.13 0.01 . 2 . . . . 129 . . . 5482 1 1017 . 1 1 92 92 SER HB3 H 1 4.00 0.01 . 2 . . . . 129 . . . 5482 1 1018 . 1 1 93 93 ASP N N 15 118.9 0.05 . 1 . . . . 130 . . . 5482 1 1019 . 1 1 93 93 ASP H H 1 8.26 0.01 . 1 . . . . 130 . . . 5482 1 1020 . 1 1 93 93 ASP CA C 13 53.7 0.05 . 1 . . . . 130 . . . 5482 1 1021 . 1 1 93 93 ASP HA H 1 4.93 0.01 . 1 . . . . 130 . . . 5482 1 1022 . 1 1 93 93 ASP CB C 13 43.8 0.05 . 1 . . . . 130 . . . 5482 1 1023 . 1 1 93 93 ASP HB2 H 1 2.85 0.01 . 2 . . . . 130 . . . 5482 1 1024 . 1 1 93 93 ASP HB3 H 1 2.65 0.01 . 2 . . . . 130 . . . 5482 1 1025 . 1 1 94 94 ASN CB C 13 37.8 0.05 . 1 . . . . 131 . . . 5482 1 1026 . 1 1 94 94 ASN HB2 H 1 2.50 0.01 . 2 . . . . 131 . . . 5482 1 1027 . 1 1 94 94 ASN HB3 H 1 2.26 0.01 . 2 . . . . 131 . . . 5482 1 1028 . 1 1 94 94 ASN ND2 N 15 110.0 0.05 . 1 . . . . 131 . . . 5482 1 1029 . 1 1 94 94 ASN HD21 H 1 7.13 0.01 . 1 . . . . 131 . . . 5482 1 1030 . 1 1 94 94 ASN HD22 H 1 6.10 0.01 . 1 . . . . 131 . . . 5482 1 1031 . 1 1 95 95 PHE N N 15 120.9 0.05 . 1 . . . . 132 . . . 5482 1 1032 . 1 1 95 95 PHE H H 1 7.88 0.01 . 1 . . . . 132 . . . 5482 1 1033 . 1 1 95 95 PHE CA C 13 57.0 0.05 . 1 . . . . 132 . . . 5482 1 1034 . 1 1 95 95 PHE HA H 1 4.65 0.01 . 1 . . . . 132 . . . 5482 1 1035 . 1 1 95 95 PHE CB C 13 38.7 0.05 . 1 . . . . 132 . . . 5482 1 1036 . 1 1 95 95 PHE HB2 H 1 2.99 0.01 . 2 . . . . 132 . . . 5482 1 1037 . 1 1 95 95 PHE HB3 H 1 2.91 0.01 . 2 . . . . 132 . . . 5482 1 1038 . 1 1 95 95 PHE HD1 H 1 7.12 0.01 . 1 . . . . 132 . . . 5482 1 1039 . 1 1 95 95 PHE HD2 H 1 7.12 0.01 . 1 . . . . 132 . . . 5482 1 1040 . 1 1 95 95 PHE HE1 H 1 7.29 0.01 . 1 . . . . 132 . . . 5482 1 1041 . 1 1 95 95 PHE HE2 H 1 7.29 0.01 . 1 . . . . 132 . . . 5482 1 1042 . 1 1 95 95 PHE CD1 C 13 131.8 0.05 . 1 . . . . 132 . . . 5482 1 1043 . 1 1 95 95 PHE CE1 C 13 131.7 0.05 . 1 . . . . 132 . . . 5482 1 1044 . 1 1 96 96 PHE N N 15 126.7 0.05 . 1 . . . . 133 . . . 5482 1 1045 . 1 1 96 96 PHE H H 1 8.16 0.01 . 1 . . . . 133 . . . 5482 1 1046 . 1 1 96 96 PHE CA C 13 59.4 0.05 . 1 . . . . 133 . . . 5482 1 1047 . 1 1 96 96 PHE HA H 1 3.75 0.01 . 1 . . . . 133 . . . 5482 1 1048 . 1 1 96 96 PHE CB C 13 40.0 0.05 . 1 . . . . 133 . . . 5482 1 1049 . 1 1 96 96 PHE HB2 H 1 1.78 0.01 . 1 . . . . 133 . . . 5482 1 1050 . 1 1 96 96 PHE HB3 H 1 2.56 0.01 . 1 . . . . 133 . . . 5482 1 1051 . 1 1 96 96 PHE HD1 H 1 6.58 0.01 . 1 . . . . 133 . . . 5482 1 1052 . 1 1 96 96 PHE HD2 H 1 6.58 0.01 . 1 . . . . 133 . . . 5482 1 1053 . 1 1 96 96 PHE HE1 H 1 7.10 0.01 . 1 . . . . 133 . . . 5482 1 1054 . 1 1 96 96 PHE HE2 H 1 7.10 0.01 . 1 . . . . 133 . . . 5482 1 1055 . 1 1 96 96 PHE CD1 C 13 131.7 0.05 . 1 . . . . 133 . . . 5482 1 1056 . 1 1 96 96 PHE CE1 C 13 131.5 0.05 . 1 . . . . 133 . . . 5482 1 1057 . 1 1 96 96 PHE CZ C 13 131.4 0.05 . 1 . . . . 133 . . . 5482 1 1058 . 1 1 96 96 PHE HZ H 1 7.46 0.01 . 1 . . . . 133 . . . 5482 1 1059 . 1 1 97 97 LYS N N 15 130.0 0.05 . 1 . . . . 134 . . . 5482 1 1060 . 1 1 97 97 LYS H H 1 8.88 0.01 . 1 . . . . 134 . . . 5482 1 1061 . 1 1 97 97 LYS CA C 13 55.1 0.05 . 1 . . . . 134 . . . 5482 1 1062 . 1 1 97 97 LYS HA H 1 4.24 0.01 . 1 . . . . 134 . . . 5482 1 1063 . 1 1 97 97 LYS CB C 13 32.7 0.05 . 1 . . . . 134 . . . 5482 1 1064 . 1 1 97 97 LYS HB2 H 1 1.45 0.01 . 2 . . . . 134 . . . 5482 1 1065 . 1 1 97 97 LYS HB3 H 1 1.29 0.01 . 2 . . . . 134 . . . 5482 1 1066 . 1 1 97 97 LYS CG C 13 25.5 0.05 . 1 . . . . 134 . . . 5482 1 1067 . 1 1 97 97 LYS HG2 H 1 1.26 0.01 . 1 . . . . 134 . . . 5482 1 1068 . 1 1 97 97 LYS HG3 H 1 1.26 0.01 . 1 . . . . 134 . . . 5482 1 1069 . 1 1 97 97 LYS CD C 13 29.8 0.05 . 1 . . . . 134 . . . 5482 1 1070 . 1 1 97 97 LYS HD2 H 1 1.57 0.01 . 2 . . . . 134 . . . 5482 1 1071 . 1 1 97 97 LYS HD3 H 1 1.37 0.01 . 2 . . . . 134 . . . 5482 1 1072 . 1 1 97 97 LYS CE C 13 42.7 0.05 . 1 . . . . 134 . . . 5482 1 1073 . 1 1 97 97 LYS HE2 H 1 2.90 0.01 . 2 . . . . 134 . . . 5482 1 1074 . 1 1 97 97 LYS HE3 H 1 2.87 0.01 . 2 . . . . 134 . . . 5482 1 1075 . 1 1 98 98 LYS N N 15 126.3 0.05 . 1 . . . . 135 . . . 5482 1 1076 . 1 1 98 98 LYS H H 1 8.48 0.01 . 1 . . . . 135 . . . 5482 1 1077 . 1 1 98 98 LYS CA C 13 57.6 0.05 . 1 . . . . 135 . . . 5482 1 1078 . 1 1 98 98 LYS HA H 1 4.18 0.01 . 1 . . . . 135 . . . 5482 1 1079 . 1 1 98 98 LYS CB C 13 31.9 0.05 . 1 . . . . 135 . . . 5482 1 1080 . 1 1 98 98 LYS HB2 H 1 1.85 0.01 . 2 . . . . 135 . . . 5482 1 1081 . 1 1 98 98 LYS HB3 H 1 1.74 0.01 . 2 . . . . 135 . . . 5482 1 1082 . 1 1 98 98 LYS CG C 13 25.5 0.05 . 1 . . . . 135 . . . 5482 1 1083 . 1 1 98 98 LYS HG2 H 1 1.58 0.01 . 2 . . . . 135 . . . 5482 1 1084 . 1 1 98 98 LYS HG3 H 1 1.40 0.01 . 2 . . . . 135 . . . 5482 1 1085 . 1 1 98 98 LYS CD C 13 29.9 0.05 . 1 . . . . 135 . . . 5482 1 1086 . 1 1 98 98 LYS HD2 H 1 1.76 0.01 . 1 . . . . 135 . . . 5482 1 1087 . 1 1 98 98 LYS HD3 H 1 1.76 0.01 . 1 . . . . 135 . . . 5482 1 1088 . 1 1 98 98 LYS CE C 13 42.5 0.05 . 1 . . . . 135 . . . 5482 1 1089 . 1 1 98 98 LYS HE2 H 1 3.04 0.01 . 1 . . . . 135 . . . 5482 1 1090 . 1 1 98 98 LYS HE3 H 1 3.04 0.01 . 1 . . . . 135 . . . 5482 1 1091 . 1 1 99 99 VAL N N 15 121.8 0.05 . 1 . . . . 136 . . . 5482 1 1092 . 1 1 99 99 VAL H H 1 6.75 0.01 . 1 . . . . 136 . . . 5482 1 1093 . 1 1 99 99 VAL CA C 13 59.4 0.05 . 1 . . . . 136 . . . 5482 1 1094 . 1 1 99 99 VAL HA H 1 4.16 0.01 . 1 . . . . 136 . . . 5482 1 1095 . 1 1 99 99 VAL CB C 13 34.6 0.05 . 1 . . . . 136 . . . 5482 1 1096 . 1 1 99 99 VAL HB H 1 1.09 0.01 . 1 . . . . 136 . . . 5482 1 1097 . 1 1 99 99 VAL HG11 H 1 0.41 0.01 . 1 . . . . 136 . . . 5482 1 1098 . 1 1 99 99 VAL HG12 H 1 0.41 0.01 . 1 . . . . 136 . . . 5482 1 1099 . 1 1 99 99 VAL HG13 H 1 0.41 0.01 . 1 . . . . 136 . . . 5482 1 1100 . 1 1 99 99 VAL HG21 H 1 -0.20 0.01 . 1 . . . . 136 . . . 5482 1 1101 . 1 1 99 99 VAL HG22 H 1 -0.20 0.01 . 1 . . . . 136 . . . 5482 1 1102 . 1 1 99 99 VAL HG23 H 1 -0.20 0.01 . 1 . . . . 136 . . . 5482 1 1103 . 1 1 99 99 VAL CG1 C 13 22.0 0.05 . 1 . . . . 136 . . . 5482 1 1104 . 1 1 99 99 VAL CG2 C 13 18.6 0.05 . 1 . . . . 136 . . . 5482 1 1105 . 1 1 100 100 GLU N N 15 123.0 0.05 . 1 . . . . 137 . . . 5482 1 1106 . 1 1 100 100 GLU H H 1 8.40 0.01 . 1 . . . . 137 . . . 5482 1 1107 . 1 1 100 100 GLU CA C 13 55.5 0.05 . 1 . . . . 137 . . . 5482 1 1108 . 1 1 100 100 GLU HA H 1 4.35 0.01 . 1 . . . . 137 . . . 5482 1 1109 . 1 1 100 100 GLU CB C 13 27.5 0.05 . 1 . . . . 137 . . . 5482 1 1110 . 1 1 100 100 GLU HB2 H 1 1.92 0.01 . 2 . . . . 137 . . . 5482 1 1111 . 1 1 100 100 GLU HB3 H 1 1.79 0.01 . 2 . . . . 137 . . . 5482 1 1112 . 1 1 100 100 GLU HG2 H 1 2.17 0.01 . 2 . . . . 137 . . . 5482 1 1113 . 1 1 100 100 GLU HG3 H 1 2.10 0.01 . 2 . . . . 137 . . . 5482 1 1114 . 1 1 100 100 GLU CG C 13 36.6 0.05 . 1 . . . . 137 . . . 5482 1 1115 . 1 1 101 101 TYR N N 15 123.5 0.05 . 1 . . . . 138 . . . 5482 1 1116 . 1 1 101 101 TYR H H 1 7.65 0.01 . 1 . . . . 138 . . . 5482 1 1117 . 1 1 101 101 TYR CA C 13 61.9 0.05 . 1 . . . . 138 . . . 5482 1 1118 . 1 1 101 101 TYR HA H 1 3.92 0.01 . 1 . . . . 138 . . . 5482 1 1119 . 1 1 101 101 TYR CB C 13 39.3 0.05 . 1 . . . . 138 . . . 5482 1 1120 . 1 1 101 101 TYR HB2 H 1 2.11 0.01 . 1 . . . . 138 . . . 5482 1 1121 . 1 1 101 101 TYR HB3 H 1 1.86 0.01 . 1 . . . . 138 . . . 5482 1 1122 . 1 1 101 101 TYR HD1 H 1 7.18 0.01 . 1 . . . . 138 . . . 5482 1 1123 . 1 1 101 101 TYR HD2 H 1 7.18 0.01 . 1 . . . . 138 . . . 5482 1 1124 . 1 1 101 101 TYR HE1 H 1 6.96 0.01 . 1 . . . . 138 . . . 5482 1 1125 . 1 1 101 101 TYR HE2 H 1 6.96 0.01 . 1 . . . . 138 . . . 5482 1 1126 . 1 1 101 101 TYR CD1 C 13 134.3 0.05 . 1 . . . . 138 . . . 5482 1 1127 . 1 1 101 101 TYR CE1 C 13 118.5 0.05 . 1 . . . . 138 . . . 5482 1 1128 . 1 1 102 102 THR N N 15 105.5 0.05 . 1 . . . . 139 . . . 5482 1 1129 . 1 1 102 102 THR H H 1 7.88 0.01 . 1 . . . . 139 . . . 5482 1 1130 . 1 1 102 102 THR CA C 13 62.1 0.05 . 1 . . . . 139 . . . 5482 1 1131 . 1 1 102 102 THR HA H 1 4.22 0.01 . 1 . . . . 139 . . . 5482 1 1132 . 1 1 102 102 THR CB C 13 69.5 0.05 . 1 . . . . 139 . . . 5482 1 1133 . 1 1 102 102 THR HB H 1 4.46 0.01 . 1 . . . . 139 . . . 5482 1 1134 . 1 1 102 102 THR HG21 H 1 1.12 0.01 . 1 . . . . 139 . . . 5482 1 1135 . 1 1 102 102 THR HG22 H 1 1.12 0.01 . 1 . . . . 139 . . . 5482 1 1136 . 1 1 102 102 THR HG23 H 1 1.12 0.01 . 1 . . . . 139 . . . 5482 1 1137 . 1 1 102 102 THR CG2 C 13 21.8 0.05 . 1 . . . . 139 . . . 5482 1 1138 . 1 1 103 103 LYS N N 15 124.0 0.05 . 1 . . . . 140 . . . 5482 1 1139 . 1 1 103 103 LYS H H 1 7.49 0.01 . 1 . . . . 140 . . . 5482 1 1140 . 1 1 103 103 LYS CA C 13 57.7 0.05 . 1 . . . . 140 . . . 5482 1 1141 . 1 1 103 103 LYS HA H 1 4.14 0.01 . 1 . . . . 140 . . . 5482 1 1142 . 1 1 103 103 LYS CB C 13 33.2 0.05 . 1 . . . . 140 . . . 5482 1 1143 . 1 1 103 103 LYS HB2 H 1 1.73 0.01 . 1 . . . . 140 . . . 5482 1 1144 . 1 1 103 103 LYS HB3 H 1 1.73 0.01 . 1 . . . . 140 . . . 5482 1 1145 . 1 1 103 103 LYS CG C 13 24.9 0.05 . 1 . . . . 140 . . . 5482 1 1146 . 1 1 103 103 LYS HG2 H 1 1.36 0.01 . 1 . . . . 140 . . . 5482 1 1147 . 1 1 103 103 LYS HG3 H 1 1.36 0.01 . 1 . . . . 140 . . . 5482 1 1148 . 1 1 103 103 LYS CD C 13 29.5 0.05 . 1 . . . . 140 . . . 5482 1 1149 . 1 1 103 103 LYS HD2 H 1 1.63 0.01 . 1 . . . . 140 . . . 5482 1 1150 . 1 1 103 103 LYS HD3 H 1 1.63 0.01 . 1 . . . . 140 . . . 5482 1 1151 . 1 1 103 103 LYS CE C 13 42.5 0.05 . 1 . . . . 140 . . . 5482 1 1152 . 1 1 103 103 LYS HE2 H 1 2.97 0.01 . 1 . . . . 140 . . . 5482 1 1153 . 1 1 103 103 LYS HE3 H 1 2.97 0.01 . 1 . . . . 140 . . . 5482 1 1154 . 1 1 104 104 ASN N N 15 119.0 0.05 . 1 . . . . 141 . . . 5482 1 1155 . 1 1 104 104 ASN H H 1 8.78 0.01 . 1 . . . . 141 . . . 5482 1 1156 . 1 1 104 104 ASN CA C 13 54.6 0.05 . 1 . . . . 141 . . . 5482 1 1157 . 1 1 104 104 ASN HA H 1 4.54 0.01 . 1 . . . . 141 . . . 5482 1 1158 . 1 1 104 104 ASN CB C 13 38.5 0.05 . 1 . . . . 141 . . . 5482 1 1159 . 1 1 104 104 ASN HB2 H 1 2.92 0.01 . 1 . . . . 141 . . . 5482 1 1160 . 1 1 104 104 ASN HB3 H 1 2.92 0.01 . 1 . . . . 141 . . . 5482 1 1161 . 1 1 104 104 ASN ND2 N 15 113.3 0.05 . 1 . . . . 141 . . . 5482 1 1162 . 1 1 104 104 ASN HD21 H 1 7.60 0.01 . 1 . . . . 141 . . . 5482 1 1163 . 1 1 104 104 ASN HD22 H 1 6.97 0.01 . 1 . . . . 141 . . . 5482 1 1164 . 1 1 105 105 VAL N N 15 120.3 0.05 . 1 . . . . 142 . . . 5482 1 1165 . 1 1 105 105 VAL H H 1 7.86 0.01 . 1 . . . . 142 . . . 5482 1 1166 . 1 1 105 105 VAL CA C 13 62.6 0.05 . 1 . . . . 142 . . . 5482 1 1167 . 1 1 105 105 VAL HA H 1 4.08 0.01 . 1 . . . . 142 . . . 5482 1 1168 . 1 1 105 105 VAL CB C 13 33.3 0.05 . 1 . . . . 142 . . . 5482 1 1169 . 1 1 105 105 VAL HB H 1 2.04 0.01 . 1 . . . . 142 . . . 5482 1 1170 . 1 1 105 105 VAL HG11 H 1 0.86 0.01 . 1 . . . . 142 . . . 5482 1 1171 . 1 1 105 105 VAL HG12 H 1 0.86 0.01 . 1 . . . . 142 . . . 5482 1 1172 . 1 1 105 105 VAL HG13 H 1 0.86 0.01 . 1 . . . . 142 . . . 5482 1 1173 . 1 1 105 105 VAL HG21 H 1 1.00 0.01 . 1 . . . . 142 . . . 5482 1 1174 . 1 1 105 105 VAL HG22 H 1 1.00 0.01 . 1 . . . . 142 . . . 5482 1 1175 . 1 1 105 105 VAL HG23 H 1 1.00 0.01 . 1 . . . . 142 . . . 5482 1 1176 . 1 1 105 105 VAL CG1 C 13 20.7 0.05 . 1 . . . . 142 . . . 5482 1 1177 . 1 1 105 105 VAL CG2 C 13 21.5 0.05 . 1 . . . . 142 . . . 5482 1 1178 . 1 1 106 106 ASN N N 15 127.2 0.05 . 1 . . . . 143 . . . 5482 1 1179 . 1 1 106 106 ASN H H 1 8.68 0.01 . 1 . . . . 143 . . . 5482 1 1180 . 1 1 106 106 ASN CA C 13 51.6 0.05 . 1 . . . . 143 . . . 5482 1 1181 . 1 1 106 106 ASN HA H 1 4.86 0.01 . 1 . . . . 143 . . . 5482 1 1182 . 1 1 106 106 ASN CB C 13 39.1 0.05 . 1 . . . . 143 . . . 5482 1 1183 . 1 1 106 106 ASN HB2 H 1 2.85 0.01 . 2 . . . . 143 . . . 5482 1 1184 . 1 1 106 106 ASN HB3 H 1 2.79 0.01 . 2 . . . . 143 . . . 5482 1 1185 . 1 1 106 106 ASN ND2 N 15 113.0 0.05 . 1 . . . . 143 . . . 5482 1 1186 . 1 1 106 106 ASN HD21 H 1 7.65 0.01 . 1 . . . . 143 . . . 5482 1 1187 . 1 1 106 106 ASN HD22 H 1 6.99 0.01 . 1 . . . . 143 . . . 5482 1 1188 . 1 1 107 107 PRO CD C 13 51.3 0.05 . 1 . . . . 144 . . . 5482 1 1189 . 1 1 107 107 PRO CA C 13 64.2 0.05 . 1 . . . . 144 . . . 5482 1 1190 . 1 1 107 107 PRO HA H 1 4.46 0.01 . 1 . . . . 144 . . . 5482 1 1191 . 1 1 107 107 PRO CB C 13 32.3 0.05 . 1 . . . . 144 . . . 5482 1 1192 . 1 1 107 107 PRO HB2 H 1 2.22 0.01 . 1 . . . . 144 . . . 5482 1 1193 . 1 1 107 107 PRO HB3 H 1 1.86 0.01 . 1 . . . . 144 . . . 5482 1 1194 . 1 1 107 107 PRO CG C 13 27.4 0.05 . 1 . . . . 144 . . . 5482 1 1195 . 1 1 107 107 PRO HG2 H 1 1.89 0.01 . 2 . . . . 144 . . . 5482 1 1196 . 1 1 107 107 PRO HG3 H 1 2.01 0.01 . 2 . . . . 144 . . . 5482 1 1197 . 1 1 107 107 PRO HD2 H 1 3.91 0.01 . 2 . . . . 144 . . . 5482 1 1198 . 1 1 107 107 PRO HD3 H 1 3.80 0.01 . 2 . . . . 144 . . . 5482 1 1199 . 1 1 108 108 ASN N N 15 117.7 0.05 . 1 . . . . 145 . . . 5482 1 1200 . 1 1 108 108 ASN H H 1 8.32 0.01 . 1 . . . . 145 . . . 5482 1 1201 . 1 1 108 108 ASN CA C 13 53.5 0.05 . 1 . . . . 145 . . . 5482 1 1202 . 1 1 108 108 ASN HA H 1 4.60 0.01 . 1 . . . . 145 . . . 5482 1 1203 . 1 1 108 108 ASN CB C 13 38.4 0.05 . 1 . . . . 145 . . . 5482 1 1204 . 1 1 108 108 ASN HB2 H 1 2.80 0.01 . 2 . . . . 145 . . . 5482 1 1205 . 1 1 108 108 ASN HB3 H 1 2.75 0.01 . 2 . . . . 145 . . . 5482 1 1206 . 1 1 108 108 ASN ND2 N 15 112.2 0.05 . 1 . . . . 145 . . . 5482 1 1207 . 1 1 108 108 ASN HD21 H 1 7.55 0.01 . 1 . . . . 145 . . . 5482 1 1208 . 1 1 108 108 ASN HD22 H 1 6.89 0.01 . 1 . . . . 145 . . . 5482 1 1209 . 1 1 109 109 TRP N N 15 120.4 0.05 . 1 . . . . 146 . . . 5482 1 1210 . 1 1 109 109 TRP H H 1 7.67 0.01 . 1 . . . . 146 . . . 5482 1 1211 . 1 1 109 109 TRP CA C 13 58.0 0.05 . 1 . . . . 146 . . . 5482 1 1212 . 1 1 109 109 TRP HA H 1 4.50 0.01 . 1 . . . . 146 . . . 5482 1 1213 . 1 1 109 109 TRP CB C 13 29.1 0.05 . 1 . . . . 146 . . . 5482 1 1214 . 1 1 109 109 TRP HB2 H 1 3.35 0.01 . 2 . . . . 146 . . . 5482 1 1215 . 1 1 109 109 TRP HB3 H 1 3.30 0.01 . 2 . . . . 146 . . . 5482 1 1216 . 1 1 109 109 TRP CD1 C 13 128.3 0.05 . 1 . . . . 146 . . . 5482 1 1217 . 1 1 109 109 TRP CE3 C 13 121.0 0.05 . 1 . . . . 146 . . . 5482 1 1218 . 1 1 109 109 TRP NE1 N 15 130.4 0.05 . 1 . . . . 146 . . . 5482 1 1219 . 1 1 109 109 TRP HD1 H 1 7.56 0.01 . 1 . . . . 146 . . . 5482 1 1220 . 1 1 109 109 TRP HE3 H 1 7.36 0.01 . 1 . . . . 146 . . . 5482 1 1221 . 1 1 109 109 TRP CZ3 C 13 121.9 0.05 . 1 . . . . 146 . . . 5482 1 1222 . 1 1 109 109 TRP CZ2 C 13 115.6 0.05 . 1 . . . . 146 . . . 5482 1 1223 . 1 1 109 109 TRP HE1 H 1 10.19 0.01 . 1 . . . . 146 . . . 5482 1 1224 . 1 1 109 109 TRP HZ3 H 1 6.83 0.01 . 1 . . . . 146 . . . 5482 1 1225 . 1 1 109 109 TRP CH2 C 13 125.2 0.05 . 1 . . . . 146 . . . 5482 1 1226 . 1 1 109 109 TRP HZ2 H 1 7.33 0.01 . 1 . . . . 146 . . . 5482 1 1227 . 1 1 109 109 TRP HH2 H 1 7.03 0.01 . 1 . . . . 146 . . . 5482 1 1228 . 1 1 110 110 SER N N 15 115.7 0.05 . 1 . . . . 147 . . . 5482 1 1229 . 1 1 110 110 SER H H 1 7.46 0.01 . 1 . . . . 147 . . . 5482 1 1230 . 1 1 110 110 SER CA C 13 59.2 0.05 . 1 . . . . 147 . . . 5482 1 1231 . 1 1 110 110 SER HA H 1 4.05 0.01 . 1 . . . . 147 . . . 5482 1 1232 . 1 1 110 110 SER CB C 13 63.4 0.05 . 1 . . . . 147 . . . 5482 1 1233 . 1 1 110 110 SER HB2 H 1 3.53 0.01 . 2 . . . . 147 . . . 5482 1 1234 . 1 1 110 110 SER HB3 H 1 2.81 0.01 . 2 . . . . 147 . . . 5482 1 1235 . 1 1 111 111 VAL N N 15 120.3 0.05 . 1 . . . . 148 . . . 5482 1 1236 . 1 1 111 111 VAL H H 1 7.60 0.01 . 1 . . . . 148 . . . 5482 1 1237 . 1 1 111 111 VAL CA C 13 62.7 0.05 . 1 . . . . 148 . . . 5482 1 1238 . 1 1 111 111 VAL HA H 1 4.04 0.01 . 1 . . . . 148 . . . 5482 1 1239 . 1 1 111 111 VAL CB C 13 33.0 0.05 . 1 . . . . 148 . . . 5482 1 1240 . 1 1 111 111 VAL HB H 1 2.06 0.01 . 1 . . . . 148 . . . 5482 1 1241 . 1 1 111 111 VAL HG11 H 1 0.88 0.01 . 1 . . . . 148 . . . 5482 1 1242 . 1 1 111 111 VAL HG12 H 1 0.88 0.01 . 1 . . . . 148 . . . 5482 1 1243 . 1 1 111 111 VAL HG13 H 1 0.88 0.01 . 1 . . . . 148 . . . 5482 1 1244 . 1 1 111 111 VAL HG21 H 1 0.87 0.01 . 1 . . . . 148 . . . 5482 1 1245 . 1 1 111 111 VAL HG22 H 1 0.87 0.01 . 1 . . . . 148 . . . 5482 1 1246 . 1 1 111 111 VAL HG23 H 1 0.87 0.01 . 1 . . . . 148 . . . 5482 1 1247 . 1 1 111 111 VAL CG1 C 13 21.6 0.05 . 1 . . . . 148 . . . 5482 1 1248 . 1 1 111 111 VAL CG2 C 13 20.8 0.05 . 1 . . . . 148 . . . 5482 1 1249 . 1 1 112 112 ASN N N 15 122.9 0.05 . 1 . . . . 149 . . . 5482 1 1250 . 1 1 112 112 ASN H H 1 8.34 0.01 . 1 . . . . 149 . . . 5482 1 1251 . 1 1 112 112 ASN HA H 1 4.80 0.01 . 1 . . . . 149 . . . 5482 1 1252 . 1 1 112 112 ASN CB C 13 39.8 0.05 . 1 . . . . 149 . . . 5482 1 1253 . 1 1 112 112 ASN HB2 H 1 2.68 0.01 . 1 . . . . 149 . . . 5482 1 1254 . 1 1 112 112 ASN HB3 H 1 2.85 0.01 . 1 . . . . 149 . . . 5482 1 1255 . 1 1 113 113 VAL N N 15 124.2 0.05 . 1 . . . . 150 . . . 5482 1 1256 . 1 1 113 113 VAL H H 1 7.66 0.01 . 1 . . . . 150 . . . 5482 1 1257 . 1 1 113 113 VAL CA C 13 64.0 0.05 . 1 . . . . 150 . . . 5482 1 1258 . 1 1 113 113 VAL HA H 1 4.02 0.01 . 1 . . . . 150 . . . 5482 1 1259 . 1 1 113 113 VAL CB C 13 33.7 0.05 . 1 . . . . 150 . . . 5482 1 1260 . 1 1 113 113 VAL HB H 1 2.00 0.01 . 1 . . . . 150 . . . 5482 1 1261 . 1 1 113 113 VAL HG11 H 1 0.88 0.01 . 1 . . . . 150 . . . 5482 1 1262 . 1 1 113 113 VAL HG12 H 1 0.88 0.01 . 1 . . . . 150 . . . 5482 1 1263 . 1 1 113 113 VAL HG13 H 1 0.88 0.01 . 1 . . . . 150 . . . 5482 1 1264 . 1 1 113 113 VAL HG21 H 1 0.85 0.01 . 1 . . . . 150 . . . 5482 1 1265 . 1 1 113 113 VAL HG22 H 1 0.85 0.01 . 1 . . . . 150 . . . 5482 1 1266 . 1 1 113 113 VAL HG23 H 1 0.85 0.01 . 1 . . . . 150 . . . 5482 1 1267 . 1 1 113 113 VAL CG1 C 13 22.0 0.05 . 1 . . . . 150 . . . 5482 1 1268 . 1 1 113 113 VAL CG2 C 13 20.5 0.05 . 1 . . . . 150 . . . 5482 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values _Coupling_constant_list.Entry_ID 5482 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $DC_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5482 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 MET H . . . . 1 1 3 3 MET HA . . . 8.2 . . 0.5 . . . . . . . . . . . 5482 1 2 3JHNHA . 1 1 4 4 ASP H . . . . 1 1 4 4 ASP HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5482 1 3 3JHNHA . 1 1 6 6 GLU H . . . . 1 1 6 6 GLU HA . . . 6.7 . . 0.5 . . . . . . . . . . . 5482 1 4 3JHNHA . 1 1 7 7 PHE H . . . . 1 1 7 7 PHE HA . . . 7.3 . . 0.5 . . . . . . . . . . . 5482 1 5 3JHNHA . 1 1 8 8 ALA H . . . . 1 1 8 8 ALA HA . . . 6.3 . . 0.5 . . . . . . . . . . . 5482 1 6 3JHNHA . 1 1 9 9 LEU H . . . . 1 1 9 9 LEU HA . . . 6.9 . . 0.5 . . . . . . . . . . . 5482 1 7 3JHNHA . 1 1 10 10 SER H . . . . 1 1 10 10 SER HA . . . 6.9 . . 0.5 . . . . . . . . . . . 5482 1 8 3JHNHA . 1 1 11 11 ASN H . . . . 1 1 11 11 ASN HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5482 1 9 3JHNHA . 1 1 12 12 GLU H . . . . 1 1 12 12 GLU HA . . . 6.6 . . 0.5 . . . . . . . . . . . 5482 1 10 3JHNHA . 1 1 13 13 LYS H . . . . 1 1 13 13 LYS HA . . . 8.1 . . 0.5 . . . . . . . . . . . 5482 1 11 3JHNHA . 1 1 14 14 LYS H . . . . 1 1 14 14 LYS HA . . . 7.0 . . 0.5 . . . . . . . . . . . 5482 1 12 3JHNHA . 1 1 15 15 ALA H . . . . 1 1 15 15 ALA HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5482 1 13 3JHNHA . 1 1 16 16 LYS H . . . . 1 1 16 16 LYS HA . . . 8.8 . . 0.5 . . . . . . . . . . . 5482 1 14 3JHNHA . 1 1 17 17 LYS H . . . . 1 1 17 17 LYS HA . . . 7.9 . . 0.5 . . . . . . . . . . . 5482 1 15 3JHNHA . 1 1 18 18 VAL H . . . . 1 1 18 18 VAL HA . . . 10.1 . . 0.5 . . . . . . . . . . . 5482 1 16 3JHNHA . 1 1 19 19 ARG H . . . . 1 1 19 19 ARG HA . . . 9.0 . . 0.5 . . . . . . . . . . . 5482 1 17 3JHNHA . 1 1 20 20 PHE H . . . . 1 1 20 20 PHE HA . . . 9.7 . . 0.5 . . . . . . . . . . . 5482 1 18 3JHNHA . 1 1 21 21 TYR H . . . . 1 1 21 21 TYR HA . . . 9.5 . . 0.5 . . . . . . . . . . . 5482 1 19 3JHNHA . 1 1 22 22 ARG H . . . . 1 1 22 22 ARG HA . . . 9.5 . . 0.5 . . . . . . . . . . . 5482 1 20 3JHNHA . 1 1 25 25 ASP H . . . . 1 1 25 25 ASP HA . . . 8.5 . . 0.5 . . . . . . . . . . . 5482 1 21 3JHNHA . 1 1 26 26 ARG H . . . . 1 1 26 26 ARG HA . . . 6.3 . . 0.5 . . . . . . . . . . . 5482 1 22 3JHNHA . 1 1 28 28 PHE H . . . . 1 1 28 28 PHE HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5482 1 23 3JHNHA . 1 1 29 29 LYS H . . . . 1 1 29 29 LYS HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5482 1 24 3JHNHA . 1 1 31 31 ILE H . . . . 1 1 31 31 ILE HA . . . 10.9 . . 0.5 . . . . . . . . . . . 5482 1 25 3JHNHA . 1 1 32 32 VAL H . . . . 1 1 32 32 VAL HA . . . 7.7 . . 0.5 . . . . . . . . . . . 5482 1 26 3JHNHA . 1 1 33 33 TYR H . . . . 1 1 33 33 TYR HA . . . 9.9 . . 0.5 . . . . . . . . . . . 5482 1 27 3JHNHA . 1 1 34 34 ALA H . . . . 1 1 34 34 ALA HA . . . 9.7 . . 0.5 . . . . . . . . . . . 5482 1 28 3JHNHA . 1 1 35 35 VAL H . . . . 1 1 35 35 VAL HA . . . 8.4 . . 0.5 . . . . . . . . . . . 5482 1 29 3JHNHA . 1 1 36 36 SER H . . . . 1 1 36 36 SER HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5482 1 30 3JHNHA . 1 1 38 38 ASP H . . . . 1 1 38 38 ASP HA . . . 7.3 . . 0.5 . . . . . . . . . . . 5482 1 31 3JHNHA . 1 1 39 39 ARG H . . . . 1 1 39 39 ARG HA . . . 8.5 . . 0.5 . . . . . . . . . . . 5482 1 32 3JHNHA . 1 1 40 40 PHE H . . . . 1 1 40 40 PHE HA . . . 9.9 . . 0.5 . . . . . . . . . . . 5482 1 33 3JHNHA . 1 1 41 41 ARG H . . . . 1 1 41 41 ARG HA . . . 5.0 . . 0.5 . . . . . . . . . . . 5482 1 34 3JHNHA . 1 1 42 42 SER H . . . . 1 1 42 42 SER HA . . . 6.3 . . 0.5 . . . . . . . . . . . 5482 1 35 3JHNHA . 1 1 43 43 PHE H . . . . 1 1 43 43 PHE HA . . . 4.2 . . 0.5 . . . . . . . . . . . 5482 1 36 3JHNHA . 1 1 44 44 ASP H . . . . 1 1 44 44 ASP HA . . . 3.5 . . 0.5 . . . . . . . . . . . 5482 1 37 3JHNHA . 1 1 45 45 ALA H . . . . 1 1 45 45 ALA HA . . . 5.3 . . 0.5 . . . . . . . . . . . 5482 1 38 3JHNHA . 1 1 46 46 LEU H . . . . 1 1 46 46 LEU HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5482 1 39 3JHNHA . 1 1 47 47 LEU H . . . . 1 1 47 47 LEU HA . . . 3.4 . . 0.5 . . . . . . . . . . . 5482 1 40 3JHNHA . 1 1 48 48 ALA H . . . . 1 1 48 48 ALA HA . . . 3.9 . . 0.5 . . . . . . . . . . . 5482 1 41 3JHNHA . 1 1 49 49 ASP H . . . . 1 1 49 49 ASP HA . . . 5.4 . . 0.5 . . . . . . . . . . . 5482 1 42 3JHNHA . 1 1 50 50 LEU H . . . . 1 1 50 50 LEU HA . . . 4.1 . . 0.5 . . . . . . . . . . . 5482 1 43 3JHNHA . 1 1 51 51 THR H . . . . 1 1 51 51 THR HA . . . 3.7 . . 0.5 . . . . . . . . . . . 5482 1 44 3JHNHA . 1 1 52 52 ARG H . . . . 1 1 52 52 ARG HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5482 1 45 3JHNHA . 1 1 53 53 SER H . . . . 1 1 53 53 SER HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5482 1 46 3JHNHA . 1 1 54 54 LEU H . . . . 1 1 54 54 LEU HA . . . 8.3 . . 0.5 . . . . . . . . . . . 5482 1 47 3JHNHA . 1 1 55 55 SER H . . . . 1 1 55 55 SER HA . . . 2.9 . . 0.5 . . . . . . . . . . . 5482 1 48 3JHNHA . 1 1 56 56 ASP H . . . . 1 1 56 56 ASP HA . . . 7.7 . . 0.5 . . . . . . . . . . . 5482 1 49 3JHNHA . 1 1 57 57 ASN H . . . . 1 1 57 57 ASN HA . . . 5.8 . . 0.5 . . . . . . . . . . . 5482 1 50 3JHNHA . 1 1 58 58 ILE H . . . . 1 1 58 58 ILE HA . . . 9.9 . . 0.5 . . . . . . . . . . . 5482 1 51 3JHNHA . 1 1 59 59 ASN H . . . . 1 1 59 59 ASN HA . . . 8.5 . . 0.5 . . . . . . . . . . . 5482 1 52 3JHNHA . 1 1 62 62 GLN H . . . . 1 1 62 62 GLN HA . . . 9.6 . . 0.5 . . . . . . . . . . . 5482 1 53 3JHNHA . 1 1 64 64 VAL H . . . . 1 1 64 64 VAL HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5482 1 54 3JHNHA . 1 1 65 65 ARG H . . . . 1 1 65 65 ARG HA . . . 9.7 . . 0.5 . . . . . . . . . . . 5482 1 55 3JHNHA . 1 1 66 66 TYR H . . . . 1 1 66 66 TYR HA . . . 9.2 . . 0.5 . . . . . . . . . . . 5482 1 56 3JHNHA . 1 1 67 67 ILE H . . . . 1 1 67 67 ILE HA . . . 9.6 . . 0.5 . . . . . . . . . . . 5482 1 57 3JHNHA . 1 1 68 68 TYR H . . . . 1 1 68 68 TYR HA . . . 9.3 . . 0.5 . . . . . . . . . . . 5482 1 58 3JHNHA . 1 1 69 69 THR H . . . . 1 1 69 69 THR HA . . . 6.3 . . 0.5 . . . . . . . . . . . 5482 1 59 3JHNHA . 1 1 70 70 ILE H . . . . 1 1 70 70 ILE HA . . . 2.4 . . 0.5 . . . . . . . . . . . 5482 1 60 3JHNHA . 1 1 71 71 ASP H . . . . 1 1 71 71 ASP HA . . . 9.0 . . 0.5 . . . . . . . . . . . 5482 1 61 3JHNHA . 1 1 73 73 SER H . . . . 1 1 73 73 SER HA . . . 4.9 . . 0.5 . . . . . . . . . . . 5482 1 62 3JHNHA . 1 1 74 74 ARG H . . . . 1 1 74 74 ARG HA . . . 9.2 . . 0.5 . . . . . . . . . . . 5482 1 63 3JHNHA . 1 1 75 75 LYS H . . . . 1 1 75 75 LYS HA . . . 8.5 . . 0.5 . . . . . . . . . . . 5482 1 64 3JHNHA . 1 1 76 76 ILE H . . . . 1 1 76 76 ILE HA . . . 8.2 . . 0.5 . . . . . . . . . . . 5482 1 65 3JHNHA . 1 1 78 78 SER H . . . . 1 1 78 78 SER HA . . . 5.6 . . 0.5 . . . . . . . . . . . 5482 1 66 3JHNHA . 1 1 79 79 MET H . . . . 1 1 79 79 MET HA . . . 4.3 . . 0.5 . . . . . . . . . . . 5482 1 67 3JHNHA . 1 1 81 81 GLU H . . . . 1 1 81 81 GLU HA . . . 7.9 . . 0.5 . . . . . . . . . . . 5482 1 68 3JHNHA . 1 1 82 82 LEU H . . . . 1 1 82 82 LEU HA . . . 7.0 . . 0.5 . . . . . . . . . . . 5482 1 69 3JHNHA . 1 1 83 83 GLU H . . . . 1 1 83 83 GLU HA . . . 9.5 . . 0.5 . . . . . . . . . . . 5482 1 70 3JHNHA . 1 1 84 84 GLU H . . . . 1 1 84 84 GLU HA . . . 3.4 . . 0.5 . . . . . . . . . . . 5482 1 71 3JHNHA . 1 1 86 86 GLU H . . . . 1 1 86 86 GLU HA . . . 8.5 . . 0.5 . . . . . . . . . . . 5482 1 72 3JHNHA . 1 1 87 87 SER H . . . . 1 1 87 87 SER HA . . . 10.1 . . 0.5 . . . . . . . . . . . 5482 1 73 3JHNHA . 1 1 88 88 TYR H . . . . 1 1 88 88 TYR HA . . . 9.9 . . 0.5 . . . . . . . . . . . 5482 1 74 3JHNHA . 1 1 89 89 VAL H . . . . 1 1 89 89 VAL HA . . . 9.8 . . 0.5 . . . . . . . . . . . 5482 1 75 3JHNHA . 1 1 90 90 CYS H . . . . 1 1 90 90 CYS HA . . . 7.9 . . 0.5 . . . . . . . . . . . 5482 1 76 3JHNHA . 1 1 91 91 SER H . . . . 1 1 91 91 SER HA . . . 9.6 . . 0.5 . . . . . . . . . . . 5482 1 77 3JHNHA . 1 1 92 92 SER H . . . . 1 1 92 92 SER HA . . . 7.9 . . 0.5 . . . . . . . . . . . 5482 1 78 3JHNHA . 1 1 93 93 ASP H . . . . 1 1 93 93 ASP HA . . . 8.6 . . 0.5 . . . . . . . . . . . 5482 1 79 3JHNHA . 1 1 95 95 PHE H . . . . 1 1 95 95 PHE HA . . . 7.8 . . 0.5 . . . . . . . . . . . 5482 1 80 3JHNHA . 1 1 96 96 PHE H . . . . 1 1 96 96 PHE HA . . . 6.2 . . 0.5 . . . . . . . . . . . 5482 1 81 3JHNHA . 1 1 97 97 LYS H . . . . 1 1 97 97 LYS HA . . . 9.4 . . 0.5 . . . . . . . . . . . 5482 1 82 3JHNHA . 1 1 98 98 LYS H . . . . 1 1 98 98 LYS HA . . . 6.7 . . 0.5 . . . . . . . . . . . 5482 1 83 3JHNHA . 1 1 99 99 VAL H . . . . 1 1 99 99 VAL HA . . . 10.7 . . 0.5 . . . . . . . . . . . 5482 1 84 3JHNHA . 1 1 100 100 GLU H . . . . 1 1 100 100 GLU HA . . . 6.5 . . 0.5 . . . . . . . . . . . 5482 1 85 3JHNHA . 1 1 102 102 THR H . . . . 1 1 102 102 THR HA . . . 7.8 . . 0.5 . . . . . . . . . . . 5482 1 86 3JHNHA . 1 1 103 103 LYS H . . . . 1 1 103 103 LYS HA . . . 5.9 . . 0.5 . . . . . . . . . . . 5482 1 87 3JHNHA . 1 1 105 105 VAL H . . . . 1 1 105 105 VAL HA . . . 8.3 . . 0.5 . . . . . . . . . . . 5482 1 88 3JHNHA . 1 1 106 106 ASN H . . . . 1 1 106 106 ASN HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5482 1 89 3JHNHA . 1 1 108 108 ASN H . . . . 1 1 108 108 ASN HA . . . 7.8 . . 0.5 . . . . . . . . . . . 5482 1 90 3JHNHA . 1 1 109 109 TRP H . . . . 1 1 109 109 TRP HA . . . 5.9 . . 0.5 . . . . . . . . . . . 5482 1 91 3JHNHA . 1 1 110 110 SER H . . . . 1 1 110 110 SER HA . . . 7.2 . . 0.5 . . . . . . . . . . . 5482 1 92 3JHNHA . 1 1 111 111 VAL H . . . . 1 1 111 111 VAL HA . . . 8.2 . . 0.5 . . . . . . . . . . . 5482 1 93 3JHNHA . 1 1 112 112 ASN H . . . . 1 1 112 112 ASN HA . . . 8.5 . . 0.5 . . . . . . . . . . . 5482 1 94 3JHNHA . 1 1 113 113 VAL H . . . . 1 1 113 113 VAL HA . . . 9.4 . . 0.5 . . . . . . . . . . . 5482 1 stop_ save_