data_5159 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5159 _Entry.Title ; Sequence-specific resonance assignment of the second Ran-binding domain of human RanBP2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-09-25 _Entry.Accession_date 2001-09-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rolf Doker . . . 5159 2 Peter Geyer . . . 5159 3 Xiaodong Zhao . . . 5159 4 Werner Kremer . . . 5159 5 Carolina 'Villa Braslavsky' . . . 5159 6 Jurgen Kuhlmann . . . 5159 7 'Hans Robert' Kalbitzer . . . 5159 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5159 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 5159 '15N chemical shifts' 133 5159 '1H chemical shifts' 723 5159 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 4 . . 2002-09-30 . original author 'original release.' 5159 3 . . 2002-12-16 . update author 'update chemical shift table.' 5159 2 . . 2004-10-25 . update author 'update chemical shift table.' 5159 1 . . 2005-04-13 . update author 'update publication.' 5159 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5159 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21880665 _Citation.DOI . _Citation.PubMed_ID 11883781 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific Resonance Assignment of the Second Ran-binding Domain of Human RanBP2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 2 _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 185 _Citation.Page_last 186 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rolf Doker . . . 5159 1 2 Xiaodong Zhao . . . 5159 1 3 Werner Kremer . . . 5159 1 4 Carolina 'Villa Braslavsky' . . . 5159 1 5 Jurgen Kuhlmann . . . 5159 1 6 Hans Kalbitzer . R. . 5159 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Nup358 5159 1 'Ran-binding domain' 5159 1 RanBP2 5159 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5159 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7603572 _Citation.Full_citation ; Yokoyama et al. 1995, Nature 376,184-188. ; _Citation.Title 'A giant nucleopore protein that binds Ran/TC4.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 376 _Citation.Journal_issue 6536 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0028-0836 _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 184 _Citation.Page_last 188 _Citation.Year 1995 _Citation.Details ; Ran/TC4 is a small nuclear G protein that forms a complex with the chromatin-bound guanine nucleotide release factor RCC1 (ref. 2). Loss of RCC1 causes defects in cell cycle progression, RNA export and nuclear protein import. Some of these can be suppressed by overexpression of Ran/TC4 (ref. 1), suggesting that Ran/TC4 functions downstream of RCC1. We have searched for proteins that bind Ran/TC4 by using a two-hybrid screen, and here we report the identification of RanBP2, a novel protein of 3,224 residues. This giant protein comprises an amino-terminal 700-residue leucine-rich region, four RanBP1-homologous (refs 9, 10) domains, eight zinc-finger motifs similar to those of NUP153 (refs 11, 12), and a carboxy terminus with high homology to cyclophilin. The molecule contains the XFXFG pentapeptide motif characteristic of nuclear pore complex (NPC) proteins, and immunolocalization suggests that RanBP2 is a constituent of the NPC. The fact that NLS-mediated nuclear import can be inhibited by an antibody directed against RanBP2 supports a functional role in protein import through the NPC. ; 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 N. Yokoyama N. . . 5159 2 2 N. Hayashi N. . . 5159 2 3 T. Seki T. . . 5159 2 4 N. Pante N. . . 5159 2 5 T. Ohba T. . . 5159 2 6 K. Nishii K. . . 5159 2 7 K. Kuma K. . . 5159 2 8 T. Hayashida T. . . 5159 2 9 T. Miyata T. . . 5159 2 10 U. Aebi U. . . 5159 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5159 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7775481 _Citation.Full_citation ; Wu et al. 1995, J. Biol. Chem. 270,14209-14213. ; _Citation.Title 'Nup358, a cytoplasmically exposed nucleoporin with peptide repeats, Ran-GTP binding sites, zinc fingers, a cyclophilin A homologous domain, and a leucine-rich region.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 270 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9258 _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 14209 _Citation.Page_last 14213 _Citation.Year 1995 _Citation.Details ; The Ras-related nuclear protein, Ran, has been implicated in nuclear transport. By screening a HeLa cell lambda expression library with Ran-GTP and sequencing overlapping cDNA clones, we have obtained the derived primary structure of a protein with a calculated molecular mass of 358 kDa. Using antibodies raised against an expressed segment of this protein, we obtained punctate nuclear surface staining by immunofluorescence microscopy that is characteristic for nucleoporins. Electron microscopy of immunogold-decorated rat liver nuclear envelopes sublocalized the 358-kDa protein at (or near) the tip of the cytoplasmic fibers of the nuclear pore complex (NPC). In agreement with current convention, this protein was therefore termed Nup358 (for nucleoporin of 358 kDa). Nup358 contains a leucine-rich region, four potential Ran binding sites (i.e. Ran binding protein 1 homologous domains) flanked by nucleoporin-characteristic FXFG or FG repeats, eight zinc finger motifs, and a C-terminal cyclophilin A homologous domain. Consistent with the location of Nup358 at the cytoplasmic fibers of the NPC, we found decoration with Ran-gold at only the cytoplasmic side of the NPC. Thus, Nup358 is the first nucleoporin shown to contain binding sites for two of three soluble nuclear transport factors so far isolated, namely karyopherin and Ran-GTP. ; 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 J. Wu J. . . 5159 3 2 'M. J.' Matunis M. J. . 5159 3 3 D. Kraemer D. . . 5159 3 4 G. Blobel G. . . 5159 3 5 E. Coutavas E. . . 5159 3 stop_ save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 5159 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10078529 _Citation.Full_citation ; Vetter et al. 1999, Nature 398,39-46. ; _Citation.Title 'Structure of a Ran-binding domain complexed with Ran bound to a GTP analogue: implications for nuclear transport.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 398 _Citation.Journal_issue 6722 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0028-0836 _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 39 _Citation.Page_last 46 _Citation.Year 1999 _Citation.Details ; The protein Ran is a small GTP-binding protein that binds to two types of effector inside the cell: Ran-binding proteins, which have a role in terminating export processes from the nucleus to the cytoplasm, and importin-beta-like molecules that bind cargo proteins during nuclear transport. The Ran-binding domain is a conserved sequence motif found in several proteins that participate in these transport processes. The Ran-binding protein RanBP2 contains four of these domains and constitutes a large part of the cytoplasmic fibrils that extend from the nuclear-pore complex. The structure of Ran bound to a non-hydrolysable GTP analogue (Ran x GppNHp) in complex with the first Ran-binding domain (RanBD1) of human RanBP2 reveals not only that RanBD1 has a pleckstrin-homology domain fold, but also that the switch-I region of Ran x GppNHp resembles the canonical Ras GppNHp structure and that the carboxy terminus of Ran is wrapped around RanBD1, contacting a basic patch on RanBD1 through its acidic end. This molecular 'embrace' enables RanBDs to sequester the Ran carboxy terminus, triggering the dissociation of Ran x GTP from importin-beta-related transport factors and facilitating GTP hydrolysis by the GTPase-activating protein ranGAP. Such a mechanism represents a new type of switch mechanism and regulatory protein-protein interaction for a Ras-related protein. ; 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 'I. R.' Vetter I. R. . 5159 4 2 C. Nowak C. . . 5159 4 3 T. Nishimoto T. . . 5159 4 4 J. Kuhlmann J. . . 5159 4 5 A. Wittinghofer A. . . 5159 4 stop_ save_ save_ref_4 _Citation.Sf_category citations _Citation.Sf_framecode ref_4 _Citation.Entry_ID 5159 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15826666 _Citation.Full_citation ; J.P. Geyer, R. Doeker, W. Kremer, X. Zhao, J. Kuhlmann and H.R. Kalbitzer "Solution Structure of the Ran-binding Domain 2 of RanBP2 and its Interaction with the C Terminus of Ran", J Mol Biol (2005) 348, 711-725. ; _Citation.Title 'Solution structure of the Ran-binding domain 2 of RanBP2 and its interaction with the C terminus of Ran.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 348 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 711 _Citation.Page_last 725 _Citation.Year 2005 _Citation.Details ; The termination of export processes from the nucleus to the cytoplasm in higher eukaryotes is mediated by binding of the small GTPase Ran as part of the export complexes to the Ran-binding domains (RanBD) of Ran-binding protein 2 (RanBP2) of the nuclear pore complex. So far, the structures of the first RanBD of RanBP2 and of RanBP1 in complexes with Ran have been known from X-ray crystallographic studies. Here we report the NMR solution structure of the uncomplexed second RanBD of RanBP2. The structure shows a pleckstrin homology (PH) fold featuring two almost orthogonal beta-sheets consisting of three and four strands and an alpha-helix sitting on top. This is in contrast to the RanBD in the crystal structure complexes in which one beta-strand is missing. That is probably due to the binding of the C-terminal alpha-helix of Ran to the RanBD in these complexes. To analyze the interaction between RanBD2 and the C terminus of Ran, NMR-titration studies with peptides comprising the six or 28 C-terminal residues of Ran were performed. While the six-residue peptide alone does not bind to RanBD2 in a specific manner, the 28-residue peptide, including the entire C-terminal helix of Ran, binds to RanBD2 in a manner analogous to the crystal structures. By solving the solution structure of the 28mer peptide alone, we confirmed that it adopts a stable alpha-helical structure like in native Ran and therefore serves as a valid model of the Ran C terminus. These results support current models that assume recognition of the transport complexes by the RanBDs through the Ran C terminus that is exposed in these complexes. ; 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 'J Peter' Geyer J. P. . 5159 5 2 Rolf Doker R. . . 5159 5 3 Werner Kremer W. . . 5159 5 4 Xiaodong Zhao X. . . 5159 5 5 Jurgen Kuhlmann J. . . 5159 5 6 'Hans Robert' Kalbitzer H. R. . 5159 5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RanBP2-RanBD2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RanBP2-RanBD2 _Assembly.Entry_ID 5159 _Assembly.ID 1 _Assembly.Name 'Ran-binding domain 2 of RanBP2' _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 5159 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 RanBP2-RanBD2 1 $RanBP2-RanBD2 . . . native . . . . . 5159 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1XKE . . . . . . 5159 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ran-binding domain 2 of RanBP2' system 5159 1 RanBP2-RanBD2 abbreviation 5159 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RanBP2-RanBD2 _Entity.Sf_category entity _Entity.Sf_framecode RanBP2-RanBD2 _Entity.Entry_ID 5159 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ran-binding domain 2 of Ran-binding protein 2' _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 ; GSGEEDEKVLYSQRVKLFRF DAEVSQWKERGLGNLKILKN EVNGKLRMLMRREQVLKVCA NHWITTTMNLKPLSGSDRAW MWLASDFSDGDAKLEQLAAK FKTPELAEEFKQKFEECQRL LLDIPLQTPK ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16459 . RanBD2(delta)N . . . . . 100.00 130 100.00 100.00 7.42e-89 . . . . 5159 1 2 no PDB 1XKE . "Solution Structure Of The Second Ran-Binding Domain From Human Ranbp2" . . . . . 100.00 130 100.00 100.00 7.42e-89 . . . . 5159 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ran-binding domain 2 of Ran-binding protein 2' common 5159 1 RanBP2-RanBD2 abbreviation 5159 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5159 1 2 . SER . 5159 1 3 . GLY . 5159 1 4 . GLU . 5159 1 5 . GLU . 5159 1 6 . ASP . 5159 1 7 . GLU . 5159 1 8 . LYS . 5159 1 9 . VAL . 5159 1 10 . LEU . 5159 1 11 . TYR . 5159 1 12 . SER . 5159 1 13 . GLN . 5159 1 14 . ARG . 5159 1 15 . VAL . 5159 1 16 . LYS . 5159 1 17 . LEU . 5159 1 18 . PHE . 5159 1 19 . ARG . 5159 1 20 . PHE . 5159 1 21 . ASP . 5159 1 22 . ALA . 5159 1 23 . GLU . 5159 1 24 . VAL . 5159 1 25 . SER . 5159 1 26 . GLN . 5159 1 27 . TRP . 5159 1 28 . LYS . 5159 1 29 . GLU . 5159 1 30 . ARG . 5159 1 31 . GLY . 5159 1 32 . LEU . 5159 1 33 . GLY . 5159 1 34 . ASN . 5159 1 35 . LEU . 5159 1 36 . LYS . 5159 1 37 . ILE . 5159 1 38 . LEU . 5159 1 39 . LYS . 5159 1 40 . ASN . 5159 1 41 . GLU . 5159 1 42 . VAL . 5159 1 43 . ASN . 5159 1 44 . GLY . 5159 1 45 . LYS . 5159 1 46 . LEU . 5159 1 47 . ARG . 5159 1 48 . MET . 5159 1 49 . LEU . 5159 1 50 . MET . 5159 1 51 . ARG . 5159 1 52 . ARG . 5159 1 53 . GLU . 5159 1 54 . GLN . 5159 1 55 . VAL . 5159 1 56 . LEU . 5159 1 57 . LYS . 5159 1 58 . VAL . 5159 1 59 . CYS . 5159 1 60 . ALA . 5159 1 61 . ASN . 5159 1 62 . HIS . 5159 1 63 . TRP . 5159 1 64 . ILE . 5159 1 65 . THR . 5159 1 66 . THR . 5159 1 67 . THR . 5159 1 68 . MET . 5159 1 69 . ASN . 5159 1 70 . LEU . 5159 1 71 . LYS . 5159 1 72 . PRO . 5159 1 73 . LEU . 5159 1 74 . SER . 5159 1 75 . GLY . 5159 1 76 . SER . 5159 1 77 . ASP . 5159 1 78 . ARG . 5159 1 79 . ALA . 5159 1 80 . TRP . 5159 1 81 . MET . 5159 1 82 . TRP . 5159 1 83 . LEU . 5159 1 84 . ALA . 5159 1 85 . SER . 5159 1 86 . ASP . 5159 1 87 . PHE . 5159 1 88 . SER . 5159 1 89 . ASP . 5159 1 90 . GLY . 5159 1 91 . ASP . 5159 1 92 . ALA . 5159 1 93 . LYS . 5159 1 94 . LEU . 5159 1 95 . GLU . 5159 1 96 . GLN . 5159 1 97 . LEU . 5159 1 98 . ALA . 5159 1 99 . ALA . 5159 1 100 . LYS . 5159 1 101 . PHE . 5159 1 102 . LYS . 5159 1 103 . THR . 5159 1 104 . PRO . 5159 1 105 . GLU . 5159 1 106 . LEU . 5159 1 107 . ALA . 5159 1 108 . GLU . 5159 1 109 . GLU . 5159 1 110 . PHE . 5159 1 111 . LYS . 5159 1 112 . GLN . 5159 1 113 . LYS . 5159 1 114 . PHE . 5159 1 115 . GLU . 5159 1 116 . GLU . 5159 1 117 . CYS . 5159 1 118 . GLN . 5159 1 119 . ARG . 5159 1 120 . LEU . 5159 1 121 . LEU . 5159 1 122 . LEU . 5159 1 123 . ASP . 5159 1 124 . ILE . 5159 1 125 . PRO . 5159 1 126 . LEU . 5159 1 127 . GLN . 5159 1 128 . THR . 5159 1 129 . PRO . 5159 1 130 . LYS . 5159 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 5159 1 . SER 2 2 5159 1 . GLY 3 3 5159 1 . GLU 4 4 5159 1 . GLU 5 5 5159 1 . ASP 6 6 5159 1 . GLU 7 7 5159 1 . LYS 8 8 5159 1 . VAL 9 9 5159 1 . LEU 10 10 5159 1 . TYR 11 11 5159 1 . SER 12 12 5159 1 . GLN 13 13 5159 1 . ARG 14 14 5159 1 . VAL 15 15 5159 1 . LYS 16 16 5159 1 . LEU 17 17 5159 1 . PHE 18 18 5159 1 . ARG 19 19 5159 1 . PHE 20 20 5159 1 . ASP 21 21 5159 1 . ALA 22 22 5159 1 . GLU 23 23 5159 1 . VAL 24 24 5159 1 . SER 25 25 5159 1 . GLN 26 26 5159 1 . TRP 27 27 5159 1 . LYS 28 28 5159 1 . GLU 29 29 5159 1 . ARG 30 30 5159 1 . GLY 31 31 5159 1 . LEU 32 32 5159 1 . GLY 33 33 5159 1 . ASN 34 34 5159 1 . LEU 35 35 5159 1 . LYS 36 36 5159 1 . ILE 37 37 5159 1 . LEU 38 38 5159 1 . LYS 39 39 5159 1 . ASN 40 40 5159 1 . GLU 41 41 5159 1 . VAL 42 42 5159 1 . ASN 43 43 5159 1 . GLY 44 44 5159 1 . LYS 45 45 5159 1 . LEU 46 46 5159 1 . ARG 47 47 5159 1 . MET 48 48 5159 1 . LEU 49 49 5159 1 . MET 50 50 5159 1 . ARG 51 51 5159 1 . ARG 52 52 5159 1 . GLU 53 53 5159 1 . GLN 54 54 5159 1 . VAL 55 55 5159 1 . LEU 56 56 5159 1 . LYS 57 57 5159 1 . VAL 58 58 5159 1 . CYS 59 59 5159 1 . ALA 60 60 5159 1 . ASN 61 61 5159 1 . HIS 62 62 5159 1 . TRP 63 63 5159 1 . ILE 64 64 5159 1 . THR 65 65 5159 1 . THR 66 66 5159 1 . THR 67 67 5159 1 . MET 68 68 5159 1 . ASN 69 69 5159 1 . LEU 70 70 5159 1 . LYS 71 71 5159 1 . PRO 72 72 5159 1 . LEU 73 73 5159 1 . SER 74 74 5159 1 . GLY 75 75 5159 1 . SER 76 76 5159 1 . ASP 77 77 5159 1 . ARG 78 78 5159 1 . ALA 79 79 5159 1 . TRP 80 80 5159 1 . MET 81 81 5159 1 . TRP 82 82 5159 1 . LEU 83 83 5159 1 . ALA 84 84 5159 1 . SER 85 85 5159 1 . ASP 86 86 5159 1 . PHE 87 87 5159 1 . SER 88 88 5159 1 . ASP 89 89 5159 1 . GLY 90 90 5159 1 . ASP 91 91 5159 1 . ALA 92 92 5159 1 . LYS 93 93 5159 1 . LEU 94 94 5159 1 . GLU 95 95 5159 1 . GLN 96 96 5159 1 . LEU 97 97 5159 1 . ALA 98 98 5159 1 . ALA 99 99 5159 1 . LYS 100 100 5159 1 . PHE 101 101 5159 1 . LYS 102 102 5159 1 . THR 103 103 5159 1 . PRO 104 104 5159 1 . GLU 105 105 5159 1 . LEU 106 106 5159 1 . ALA 107 107 5159 1 . GLU 108 108 5159 1 . GLU 109 109 5159 1 . PHE 110 110 5159 1 . LYS 111 111 5159 1 . GLN 112 112 5159 1 . LYS 113 113 5159 1 . PHE 114 114 5159 1 . GLU 115 115 5159 1 . GLU 116 116 5159 1 . CYS 117 117 5159 1 . GLN 118 118 5159 1 . ARG 119 119 5159 1 . LEU 120 120 5159 1 . LEU 121 121 5159 1 . LEU 122 122 5159 1 . ASP 123 123 5159 1 . ILE 124 124 5159 1 . PRO 125 125 5159 1 . LEU 126 126 5159 1 . GLN 127 127 5159 1 . THR 128 128 5159 1 . PRO 129 129 5159 1 . LYS 130 130 5159 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 5159 _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 $RanBP2-RanBD2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5159 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 5159 _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 $RanBP2-RanBD2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5159 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5159 _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 'Ran-binding domain 2 of Ran-binding protein 2' '[U-13C; U-15N]' . . 1 $RanBP2-RanBD2 . . 0.8 . . mM . . . . 5159 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5159 _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 'Ran-binding domain 2 of Ran-binding protein 2' '[U-13C; U-15N]' . . 1 $RanBP2-RanBD2 . . 0.7 . . mM . . . . 5159 2 2 D2O . . . . . . . 100 . . % . . . . 5159 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5159 _Sample.ID 3 _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 'Ran-binding domain 2 of Ran-binding protein 2' [U-15N] . . 1 $RanBP2-RanBD2 . . 1.1 . . mM . . . . 5159 3 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond_1 _Sample_condition_list.Entry_ID 5159 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5159 1 temperature 298 1 K 5159 1 stop_ save_ ############################ # Computer software used # ############################ save_AUREMOL _Software.Sf_category software _Software.Sf_framecode AUREMOL _Software.Entry_ID 5159 _Software.ID 1 _Software.Name AUREMOL _Software.Version . _Software.Details . save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 5159 _Software.ID 2 _Software.Name AURELIA _Software.Version . _Software.Details . save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5159 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5159 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5159 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5159 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5159 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5159 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 5159 _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 HNCA . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5159 1 2 HN(CO)CA . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5159 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5159 1 4 CBCANH . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5159 1 5 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5159 1 6 HNCO . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5159 1 7 '1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5159 1 8 '1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5159 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5159 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 5159 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5159 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5159 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5159 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5159 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5159 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5159 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5159 _NMR_spec_expt.ID 8 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5159 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5159 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 internal cylindrical . . . . . . . 5159 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5159 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 internal cylindrical . . . . . . . 5159 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 5159 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-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 . 5159 1 . . 2 $sample_2 . 5159 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.6 0.4 . 1 . . . . . . . . 5159 1 2 . 1 1 2 2 SER HA H 1 4.62 0.11 . 1 . . . . . . . . 5159 1 3 . 1 1 2 2 SER CB C 13 63.7 0.6 . 1 . . . . . . . . 5159 1 4 . 1 1 2 2 SER HB3 H 1 4.03 0.11 . 1 . . . . . . . . 5159 1 5 . 1 1 2 2 SER HB2 H 1 4.03 0.11 . 1 . . . . . . . . 5159 1 6 . 1 1 2 2 SER C C 13 175.1 0.17 . 1 . . . . . . . . 5159 1 7 . 1 1 3 3 GLY N N 15 110.8 0.17 . 1 . . . . . . . . 5159 1 8 . 1 1 3 3 GLY H H 1 8.81 0.02 . 1 . . . . . . . . 5159 1 9 . 1 1 3 3 GLY CA C 13 45.6 0.4 . 1 . . . . . . . . 5159 1 10 . 1 1 3 3 GLY HA2 H 1 4.16 0.11 . 2 . . . . . . . . 5159 1 11 . 1 1 3 3 GLY HA3 H 1 4.10 0.11 . 2 . . . . . . . . 5159 1 12 . 1 1 3 3 GLY C C 13 174.6 0.17 . 1 . . . . . . . . 5159 1 13 . 1 1 4 4 GLU N N 15 119.6 0.17 . 1 . . . . . . . . 5159 1 14 . 1 1 4 4 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 5159 1 15 . 1 1 4 4 GLU CA C 13 57.0 0.4 . 1 . . . . . . . . 5159 1 16 . 1 1 4 4 GLU HA H 1 4.45 0.11 . 1 . . . . . . . . 5159 1 17 . 1 1 4 4 GLU CB C 13 30.1 0.6 . 1 . . . . . . . . 5159 1 18 . 1 1 4 4 GLU HB3 H 1 2.06 0.11 . 2 . . . . . . . . 5159 1 19 . 1 1 4 4 GLU HB2 H 1 2.20 0.11 . 2 . . . . . . . . 5159 1 20 . 1 1 4 4 GLU CG C 13 36.3 0.6 . 1 . . . . . . . . 5159 1 21 . 1 1 4 4 GLU HG3 H 1 2.33 0.11 . 1 . . . . . . . . 5159 1 22 . 1 1 4 4 GLU HG2 H 1 2.33 0.11 . 1 . . . . . . . . 5159 1 23 . 1 1 4 4 GLU C C 13 177.1 0.17 . 1 . . . . . . . . 5159 1 24 . 1 1 5 5 GLU N N 15 119.6 0.17 . 1 . . . . . . . . 5159 1 25 . 1 1 5 5 GLU H H 1 8.73 0.02 . 1 . . . . . . . . 5159 1 26 . 1 1 5 5 GLU CA C 13 57.3 0.4 . 1 . . . . . . . . 5159 1 27 . 1 1 5 5 GLU HA H 1 4.38 0.11 . 1 . . . . . . . . 5159 1 28 . 1 1 5 5 GLU CB C 13 30.0 0.6 . 1 . . . . . . . . 5159 1 29 . 1 1 5 5 GLU HB3 H 1 2.10 0.11 . 2 . . . . . . . . 5159 1 30 . 1 1 5 5 GLU HB2 H 1 2.20 0.11 . 2 . . . . . . . . 5159 1 31 . 1 1 5 5 GLU CG C 13 36.2 0.6 . 1 . . . . . . . . 5159 1 32 . 1 1 5 5 GLU HG3 H 1 2.42 0.11 . 1 . . . . . . . . 5159 1 33 . 1 1 5 5 GLU HG2 H 1 2.42 0.11 . 1 . . . . . . . . 5159 1 34 . 1 1 5 5 GLU C C 13 176.4 0.17 . 1 . . . . . . . . 5159 1 35 . 1 1 6 6 ASP N N 15 118.7 0.17 . 1 . . . . . . . . 5159 1 36 . 1 1 6 6 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 5159 1 37 . 1 1 6 6 ASP CA C 13 54.8 0.4 . 1 . . . . . . . . 5159 1 38 . 1 1 6 6 ASP HA H 1 4.77 0.11 . 1 . . . . . . . . 5159 1 39 . 1 1 6 6 ASP CB C 13 41.3 0.6 . 1 . . . . . . . . 5159 1 40 . 1 1 6 6 ASP HB3 H 1 2.78 0.11 . 2 . . . . . . . . 5159 1 41 . 1 1 6 6 ASP HB2 H 1 2.93 0.11 . 2 . . . . . . . . 5159 1 42 . 1 1 6 6 ASP C C 13 175.7 0.17 . 1 . . . . . . . . 5159 1 43 . 1 1 7 7 GLU N N 15 118.4 0.17 . 1 . . . . . . . . 5159 1 44 . 1 1 7 7 GLU H H 1 7.86 0.02 . 1 . . . . . . . . 5159 1 45 . 1 1 7 7 GLU CA C 13 55.5 0.4 . 1 . . . . . . . . 5159 1 46 . 1 1 7 7 GLU HA H 1 5.06 0.11 . 1 . . . . . . . . 5159 1 47 . 1 1 7 7 GLU CB C 13 32.9 0.6 . 1 . . . . . . . . 5159 1 48 . 1 1 7 7 GLU HB3 H 1 2.07 0.11 . 2 . . . . . . . . 5159 1 49 . 1 1 7 7 GLU HB2 H 1 1.95 0.11 . 2 . . . . . . . . 5159 1 50 . 1 1 7 7 GLU CG C 13 37.3 0.6 . 1 . . . . . . . . 5159 1 51 . 1 1 7 7 GLU HG3 H 1 2.12 0.11 . 2 . . . . . . . . 5159 1 52 . 1 1 7 7 GLU HG2 H 1 2.45 0.11 . 2 . . . . . . . . 5159 1 53 . 1 1 7 7 GLU C C 13 175.7 0.17 . 1 . . . . . . . . 5159 1 54 . 1 1 8 8 LYS N N 15 122.1 0.17 . 1 . . . . . . . . 5159 1 55 . 1 1 8 8 LYS H H 1 8.89 0.02 . 1 . . . . . . . . 5159 1 56 . 1 1 8 8 LYS CA C 13 54.4 0.4 . 1 . . . . . . . . 5159 1 57 . 1 1 8 8 LYS HA H 1 4.69 0.11 . 1 . . . . . . . . 5159 1 58 . 1 1 8 8 LYS CB C 13 34.9 0.6 . 1 . . . . . . . . 5159 1 59 . 1 1 8 8 LYS HB3 H 1 1.92 0.11 . 1 . . . . . . . . 5159 1 60 . 1 1 8 8 LYS HB2 H 1 1.92 0.11 . 1 . . . . . . . . 5159 1 61 . 1 1 8 8 LYS C C 13 176.0 0.17 . 1 . . . . . . . . 5159 1 62 . 1 1 9 9 VAL N N 15 123.9 0.17 . 1 . . . . . . . . 5159 1 63 . 1 1 9 9 VAL H H 1 8.91 0.02 . 1 . . . . . . . . 5159 1 64 . 1 1 9 9 VAL CA C 13 63.3 0.4 . 1 . . . . . . . . 5159 1 65 . 1 1 9 9 VAL HA H 1 4.25 0.11 . 1 . . . . . . . . 5159 1 66 . 1 1 9 9 VAL CB C 13 31.8 0.6 . 1 . . . . . . . . 5159 1 67 . 1 1 9 9 VAL HB H 1 2.21 0.11 . 1 . . . . . . . . 5159 1 68 . 1 1 9 9 VAL CG1 C 13 21.7 0.6 . 2 . . . . . . . . 5159 1 69 . 1 1 9 9 VAL HG11 H 1 1.01 0.11 . 2 . . . . . . . . 5159 1 70 . 1 1 9 9 VAL HG12 H 1 1.01 0.11 . 2 . . . . . . . . 5159 1 71 . 1 1 9 9 VAL HG13 H 1 1.01 0.11 . 2 . . . . . . . . 5159 1 72 . 1 1 9 9 VAL CG2 C 13 21.4 0.6 . 2 . . . . . . . . 5159 1 73 . 1 1 9 9 VAL HG21 H 1 1.13 0.11 . 2 . . . . . . . . 5159 1 74 . 1 1 9 9 VAL HG22 H 1 1.13 0.11 . 2 . . . . . . . . 5159 1 75 . 1 1 9 9 VAL HG23 H 1 1.13 0.11 . 2 . . . . . . . . 5159 1 76 . 1 1 9 9 VAL C C 13 176.6 0.17 . 1 . . . . . . . . 5159 1 77 . 1 1 10 10 LEU N N 15 127.7 0.17 . 1 . . . . . . . . 5159 1 78 . 1 1 10 10 LEU H H 1 9.53 0.02 . 1 . . . . . . . . 5159 1 79 . 1 1 10 10 LEU CA C 13 55.3 0.4 . 1 . . . . . . . . 5159 1 80 . 1 1 10 10 LEU HA H 1 4.59 0.11 . 1 . . . . . . . . 5159 1 81 . 1 1 10 10 LEU CB C 13 42.7 0.6 . 1 . . . . . . . . 5159 1 82 . 1 1 10 10 LEU HB3 H 1 1.64 0.11 . 1 . . . . . . . . 5159 1 83 . 1 1 10 10 LEU HB2 H 1 1.64 0.11 . 1 . . . . . . . . 5159 1 84 . 1 1 10 10 LEU HD11 H 1 0.96 0.11 . 4 . . . . . . . . 5159 1 85 . 1 1 10 10 LEU HD12 H 1 0.96 0.11 . 4 . . . . . . . . 5159 1 86 . 1 1 10 10 LEU HD13 H 1 0.96 0.11 . 4 . . . . . . . . 5159 1 87 . 1 1 10 10 LEU C C 13 177.1 0.17 . 1 . . . . . . . . 5159 1 88 . 1 1 11 11 TYR N N 15 118.3 0.17 . 1 . . . . . . . . 5159 1 89 . 1 1 11 11 TYR H H 1 7.69 0.02 . 1 . . . . . . . . 5159 1 90 . 1 1 11 11 TYR CA C 13 58.1 0.4 . 1 . . . . . . . . 5159 1 91 . 1 1 11 11 TYR HA H 1 4.68 0.11 . 1 . . . . . . . . 5159 1 92 . 1 1 11 11 TYR CB C 13 42.1 0.6 . 1 . . . . . . . . 5159 1 93 . 1 1 11 11 TYR HB3 H 1 2.49 0.11 . 2 . . . . . . . . 5159 1 94 . 1 1 11 11 TYR HB2 H 1 3.29 0.11 . 2 . . . . . . . . 5159 1 95 . 1 1 11 11 TYR C C 13 172.9 0.17 . 1 . . . . . . . . 5159 1 96 . 1 1 12 12 SER N N 15 119.3 0.17 . 1 . . . . . . . . 5159 1 97 . 1 1 12 12 SER H H 1 7.32 0.02 . 1 . . . . . . . . 5159 1 98 . 1 1 12 12 SER CA C 13 56.8 0.4 . 1 . . . . . . . . 5159 1 99 . 1 1 12 12 SER HA H 1 5.41 0.11 . 1 . . . . . . . . 5159 1 100 . 1 1 12 12 SER CB C 13 64.5 0.6 . 1 . . . . . . . . 5159 1 101 . 1 1 12 12 SER HB3 H 1 3.58 0.11 . 1 . . . . . . . . 5159 1 102 . 1 1 12 12 SER HB2 H 1 3.58 0.11 . 1 . . . . . . . . 5159 1 103 . 1 1 12 12 SER C C 13 172.9 0.17 . 1 . . . . . . . . 5159 1 104 . 1 1 13 13 GLN N N 15 125.0 0.17 . 1 . . . . . . . . 5159 1 105 . 1 1 13 13 GLN H H 1 8.60 0.02 . 1 . . . . . . . . 5159 1 106 . 1 1 13 13 GLN CA C 13 55.0 0.4 . 1 . . . . . . . . 5159 1 107 . 1 1 13 13 GLN HA H 1 4.53 0.11 . 1 . . . . . . . . 5159 1 108 . 1 1 13 13 GLN CB C 13 35.1 0.6 . 1 . . . . . . . . 5159 1 109 . 1 1 13 13 GLN HB3 H 1 2.20 0.11 . 1 . . . . . . . . 5159 1 110 . 1 1 13 13 GLN HB2 H 1 2.20 0.11 . 1 . . . . . . . . 5159 1 111 . 1 1 13 13 GLN CG C 13 34.6 0.6 . 1 . . . . . . . . 5159 1 112 . 1 1 13 13 GLN HG3 H 1 2.82 0.11 . 2 . . . . . . . . 5159 1 113 . 1 1 13 13 GLN HG2 H 1 3.00 0.11 . 2 . . . . . . . . 5159 1 114 . 1 1 13 13 GLN NE2 N 15 112.8 0.17 . 1 . . . . . . . . 5159 1 115 . 1 1 13 13 GLN HE21 H 1 7.94 0.11 . 2 . . . . . . . . 5159 1 116 . 1 1 13 13 GLN HE22 H 1 7.32 0.11 . 2 . . . . . . . . 5159 1 117 . 1 1 13 13 GLN C C 13 173.4 0.17 . 1 . . . . . . . . 5159 1 118 . 1 1 14 14 ARG N N 15 127.4 0.17 . 1 . . . . . . . . 5159 1 119 . 1 1 14 14 ARG H H 1 8.54 0.02 . 1 . . . . . . . . 5159 1 120 . 1 1 14 14 ARG CA C 13 56.9 0.4 . 1 . . . . . . . . 5159 1 121 . 1 1 14 14 ARG HA H 1 4.81 0.11 . 1 . . . . . . . . 5159 1 122 . 1 1 14 14 ARG CB C 13 30.5 0.6 . 1 . . . . . . . . 5159 1 123 . 1 1 14 14 ARG HB3 H 1 1.84 0.11 . 2 . . . . . . . . 5159 1 124 . 1 1 14 14 ARG HB2 H 1 1.89 0.11 . 2 . . . . . . . . 5159 1 125 . 1 1 14 14 ARG CG C 13 27.5 0.6 . 1 . . . . . . . . 5159 1 126 . 1 1 14 14 ARG HG3 H 1 1.53 0.11 . 1 . . . . . . . . 5159 1 127 . 1 1 14 14 ARG HG2 H 1 1.53 0.11 . 1 . . . . . . . . 5159 1 128 . 1 1 14 14 ARG C C 13 175.7 0.17 . 1 . . . . . . . . 5159 1 129 . 1 1 15 15 VAL N N 15 119.1 0.17 . 1 . . . . . . . . 5159 1 130 . 1 1 15 15 VAL H H 1 9.03 0.02 . 1 . . . . . . . . 5159 1 131 . 1 1 15 15 VAL CA C 13 58.7 0.4 . 1 . . . . . . . . 5159 1 132 . 1 1 15 15 VAL HA H 1 4.73 0.11 . 1 . . . . . . . . 5159 1 133 . 1 1 15 15 VAL CB C 13 36.7 0.6 . 1 . . . . . . . . 5159 1 134 . 1 1 15 15 VAL HB H 1 1.69 0.11 . 1 . . . . . . . . 5159 1 135 . 1 1 15 15 VAL CG1 C 13 20.0 0.6 . 2 . . . . . . . . 5159 1 136 . 1 1 15 15 VAL HG11 H 1 0.65 0.11 . 2 . . . . . . . . 5159 1 137 . 1 1 15 15 VAL HG12 H 1 0.65 0.11 . 2 . . . . . . . . 5159 1 138 . 1 1 15 15 VAL HG13 H 1 0.65 0.11 . 2 . . . . . . . . 5159 1 139 . 1 1 15 15 VAL CG2 C 13 22.0 0.6 . 2 . . . . . . . . 5159 1 140 . 1 1 15 15 VAL HG21 H 1 0.28 0.11 . 2 . . . . . . . . 5159 1 141 . 1 1 15 15 VAL HG22 H 1 0.28 0.11 . 2 . . . . . . . . 5159 1 142 . 1 1 15 15 VAL HG23 H 1 0.28 0.11 . 2 . . . . . . . . 5159 1 143 . 1 1 15 15 VAL C C 13 173.9 0.17 . 1 . . . . . . . . 5159 1 144 . 1 1 16 16 LYS N N 15 117.1 0.17 . 1 . . . . . . . . 5159 1 145 . 1 1 16 16 LYS H H 1 7.59 0.02 . 1 . . . . . . . . 5159 1 146 . 1 1 16 16 LYS CA C 13 55.7 0.4 . 1 . . . . . . . . 5159 1 147 . 1 1 16 16 LYS HA H 1 4.88 0.11 . 1 . . . . . . . . 5159 1 148 . 1 1 16 16 LYS CB C 13 35.1 0.6 . 1 . . . . . . . . 5159 1 149 . 1 1 16 16 LYS HB3 H 1 1.70 0.11 . 1 . . . . . . . . 5159 1 150 . 1 1 16 16 LYS HB2 H 1 1.70 0.11 . 1 . . . . . . . . 5159 1 151 . 1 1 16 16 LYS C C 13 174.2 0.17 . 1 . . . . . . . . 5159 1 152 . 1 1 17 17 LEU N N 15 127.1 0.17 . 1 . . . . . . . . 5159 1 153 . 1 1 17 17 LEU H H 1 8.96 0.02 . 1 . . . . . . . . 5159 1 154 . 1 1 17 17 LEU CA C 13 53.1 0.4 . 1 . . . . . . . . 5159 1 155 . 1 1 17 17 LEU HA H 1 5.46 0.11 . 1 . . . . . . . . 5159 1 156 . 1 1 17 17 LEU CB C 13 45.9 0.6 . 1 . . . . . . . . 5159 1 157 . 1 1 17 17 LEU HB3 H 1 1.26 0.11 . 2 . . . . . . . . 5159 1 158 . 1 1 17 17 LEU HB2 H 1 1.67 0.11 . 2 . . . . . . . . 5159 1 159 . 1 1 17 17 LEU C C 13 175.6 0.17 . 1 . . . . . . . . 5159 1 160 . 1 1 18 18 PHE N N 15 124.6 0.17 . 1 . . . . . . . . 5159 1 161 . 1 1 18 18 PHE H H 1 9.94 0.02 . 1 . . . . . . . . 5159 1 162 . 1 1 18 18 PHE CA C 13 56.4 0.4 . 1 . . . . . . . . 5159 1 163 . 1 1 18 18 PHE HA H 1 5.45 0.11 . 1 . . . . . . . . 5159 1 164 . 1 1 18 18 PHE CB C 13 44.7 0.6 . 1 . . . . . . . . 5159 1 165 . 1 1 18 18 PHE HB3 H 1 2.93 0.11 . 2 . . . . . . . . 5159 1 166 . 1 1 18 18 PHE HB2 H 1 3.30 0.11 . 2 . . . . . . . . 5159 1 167 . 1 1 18 18 PHE C C 13 173.7 0.17 . 1 . . . . . . . . 5159 1 168 . 1 1 19 19 ARG N N 15 117.9 0.17 . 1 . . . . . . . . 5159 1 169 . 1 1 19 19 ARG H H 1 9.44 0.02 . 1 . . . . . . . . 5159 1 170 . 1 1 19 19 ARG CA C 13 54.4 0.4 . 1 . . . . . . . . 5159 1 171 . 1 1 19 19 ARG HA H 1 5.74 0.11 . 1 . . . . . . . . 5159 1 172 . 1 1 19 19 ARG CB C 13 34.8 0.6 . 1 . . . . . . . . 5159 1 173 . 1 1 19 19 ARG HB3 H 1 1.78 0.11 . 2 . . . . . . . . 5159 1 174 . 1 1 19 19 ARG HB2 H 1 1.91 0.11 . 2 . . . . . . . . 5159 1 175 . 1 1 19 19 ARG C C 13 175.2 0.17 . 1 . . . . . . . . 5159 1 176 . 1 1 20 20 PHE N N 15 129.8 0.17 . 1 . . . . . . . . 5159 1 177 . 1 1 20 20 PHE H H 1 8.76 0.02 . 1 . . . . . . . . 5159 1 178 . 1 1 20 20 PHE CA C 13 58.9 0.4 . 1 . . . . . . . . 5159 1 179 . 1 1 20 20 PHE HA H 1 3.90 0.11 . 1 . . . . . . . . 5159 1 180 . 1 1 20 20 PHE CB C 13 39.2 0.6 . 1 . . . . . . . . 5159 1 181 . 1 1 20 20 PHE HB3 H 1 0.99 0.11 . 2 . . . . . . . . 5159 1 182 . 1 1 20 20 PHE HB2 H 1 2.36 0.11 . 2 . . . . . . . . 5159 1 183 . 1 1 20 20 PHE C C 13 173.8 0.17 . 1 . . . . . . . . 5159 1 184 . 1 1 21 21 ASP N N 15 128.0 0.17 . 1 . . . . . . . . 5159 1 185 . 1 1 21 21 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 5159 1 186 . 1 1 21 21 ASP CA C 13 52.3 0.4 . 1 . . . . . . . . 5159 1 187 . 1 1 21 21 ASP HA H 1 4.71 0.11 . 1 . . . . . . . . 5159 1 188 . 1 1 21 21 ASP CB C 13 41.8 0.6 . 1 . . . . . . . . 5159 1 189 . 1 1 21 21 ASP HB3 H 1 2.35 0.11 . 2 . . . . . . . . 5159 1 190 . 1 1 21 21 ASP HB2 H 1 2.88 0.11 . 2 . . . . . . . . 5159 1 191 . 1 1 21 21 ASP C C 13 175.7 0.17 . 1 . . . . . . . . 5159 1 192 . 1 1 22 22 ALA N N 15 126.3 0.17 . 1 . . . . . . . . 5159 1 193 . 1 1 22 22 ALA H H 1 8.79 0.02 . 1 . . . . . . . . 5159 1 194 . 1 1 22 22 ALA CA C 13 53.7 0.4 . 1 . . . . . . . . 5159 1 195 . 1 1 22 22 ALA HA H 1 3.89 0.11 . 1 . . . . . . . . 5159 1 196 . 1 1 22 22 ALA CB C 13 18.7 0.6 . 1 . . . . . . . . 5159 1 197 . 1 1 22 22 ALA HB1 H 1 1.61 0.11 . 1 . . . . . . . . 5159 1 198 . 1 1 22 22 ALA HB2 H 1 1.61 0.11 . 1 . . . . . . . . 5159 1 199 . 1 1 22 22 ALA HB3 H 1 1.61 0.11 . 1 . . . . . . . . 5159 1 200 . 1 1 22 22 ALA C C 13 178.9 0.17 . 1 . . . . . . . . 5159 1 201 . 1 1 23 23 GLU N N 15 117.3 0.17 . 1 . . . . . . . . 5159 1 202 . 1 1 23 23 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 5159 1 203 . 1 1 23 23 GLU CA C 13 59.2 0.4 . 1 . . . . . . . . 5159 1 204 . 1 1 23 23 GLU HA H 1 4.18 0.11 . 1 . . . . . . . . 5159 1 205 . 1 1 23 23 GLU CB C 13 29.6 0.6 . 1 . . . . . . . . 5159 1 206 . 1 1 23 23 GLU HB3 H 1 2.20 0.11 . 2 . . . . . . . . 5159 1 207 . 1 1 23 23 GLU HB2 H 1 2.31 0.11 . 2 . . . . . . . . 5159 1 208 . 1 1 23 23 GLU CG C 13 36.5 0.6 . 1 . . . . . . . . 5159 1 209 . 1 1 23 23 GLU HG3 H 1 2.42 0.11 . 2 . . . . . . . . 5159 1 210 . 1 1 23 23 GLU HG2 H 1 2.30 0.11 . 2 . . . . . . . . 5159 1 211 . 1 1 23 23 GLU C C 13 178.4 0.17 . 1 . . . . . . . . 5159 1 212 . 1 1 24 24 VAL N N 15 106.0 0.17 . 1 . . . . . . . . 5159 1 213 . 1 1 24 24 VAL H H 1 6.73 0.02 . 1 . . . . . . . . 5159 1 214 . 1 1 24 24 VAL CA C 13 60.1 0.4 . 1 . . . . . . . . 5159 1 215 . 1 1 24 24 VAL HA H 1 4.54 0.11 . 1 . . . . . . . . 5159 1 216 . 1 1 24 24 VAL CB C 13 32.1 0.6 . 1 . . . . . . . . 5159 1 217 . 1 1 24 24 VAL HB H 1 2.41 0.11 . 1 . . . . . . . . 5159 1 218 . 1 1 24 24 VAL CG1 C 13 21.2 0.6 . 2 . . . . . . . . 5159 1 219 . 1 1 24 24 VAL HG11 H 1 0.92 0.11 . 2 . . . . . . . . 5159 1 220 . 1 1 24 24 VAL HG12 H 1 0.92 0.11 . 2 . . . . . . . . 5159 1 221 . 1 1 24 24 VAL HG13 H 1 0.92 0.11 . 2 . . . . . . . . 5159 1 222 . 1 1 24 24 VAL CG2 C 13 18.4 0.6 . 2 . . . . . . . . 5159 1 223 . 1 1 24 24 VAL HG21 H 1 0.78 0.11 . 2 . . . . . . . . 5159 1 224 . 1 1 24 24 VAL HG22 H 1 0.78 0.11 . 2 . . . . . . . . 5159 1 225 . 1 1 24 24 VAL HG23 H 1 0.78 0.11 . 2 . . . . . . . . 5159 1 226 . 1 1 24 24 VAL C C 13 175.1 0.17 . 1 . . . . . . . . 5159 1 227 . 1 1 25 25 SER N N 15 116.3 0.17 . 1 . . . . . . . . 5159 1 228 . 1 1 25 25 SER H H 1 7.68 0.02 . 1 . . . . . . . . 5159 1 229 . 1 1 25 25 SER CA C 13 58.8 0.4 . 1 . . . . . . . . 5159 1 230 . 1 1 25 25 SER HA H 1 3.59 0.11 . 1 . . . . . . . . 5159 1 231 . 1 1 25 25 SER CB C 13 60.9 0.6 . 1 . . . . . . . . 5159 1 232 . 1 1 25 25 SER HB3 H 1 4.05 0.11 . 2 . . . . . . . . 5159 1 233 . 1 1 25 25 SER HB2 H 1 4.23 0.11 . 2 . . . . . . . . 5159 1 234 . 1 1 25 25 SER C C 13 173.5 0.17 . 1 . . . . . . . . 5159 1 235 . 1 1 26 26 GLN N N 15 113.9 0.17 . 1 . . . . . . . . 5159 1 236 . 1 1 26 26 GLN H H 1 6.79 0.02 . 1 . . . . . . . . 5159 1 237 . 1 1 26 26 GLN CA C 13 53.5 0.4 . 1 . . . . . . . . 5159 1 238 . 1 1 26 26 GLN HA H 1 4.76 0.11 . 1 . . . . . . . . 5159 1 239 . 1 1 26 26 GLN CB C 13 33.9 0.6 . 1 . . . . . . . . 5159 1 240 . 1 1 26 26 GLN HB3 H 1 1.60 0.11 . 2 . . . . . . . . 5159 1 241 . 1 1 26 26 GLN HB2 H 1 2.06 0.11 . 2 . . . . . . . . 5159 1 242 . 1 1 26 26 GLN CG C 13 32.9 0.6 . 1 . . . . . . . . 5159 1 243 . 1 1 26 26 GLN HG3 H 1 2.45 0.11 . 1 . . . . . . . . 5159 1 244 . 1 1 26 26 GLN HG2 H 1 2.45 0.11 . 1 . . . . . . . . 5159 1 245 . 1 1 26 26 GLN NE2 N 15 110.3 0.17 . 1 . . . . . . . . 5159 1 246 . 1 1 26 26 GLN HE21 H 1 7.40 0.11 . 2 . . . . . . . . 5159 1 247 . 1 1 26 26 GLN HE22 H 1 6.87 0.11 . 2 . . . . . . . . 5159 1 248 . 1 1 26 26 GLN C C 13 174.7 0.17 . 1 . . . . . . . . 5159 1 249 . 1 1 27 27 TRP N N 15 122.9 0.17 . 1 . . . . . . . . 5159 1 250 . 1 1 27 27 TRP H H 1 9.04 0.02 . 1 . . . . . . . . 5159 1 251 . 1 1 27 27 TRP CA C 13 57.9 0.4 . 1 . . . . . . . . 5159 1 252 . 1 1 27 27 TRP HA H 1 4.76 0.11 . 1 . . . . . . . . 5159 1 253 . 1 1 27 27 TRP CB C 13 29.7 0.6 . 1 . . . . . . . . 5159 1 254 . 1 1 27 27 TRP HB3 H 1 2.97 0.11 . 2 . . . . . . . . 5159 1 255 . 1 1 27 27 TRP HB2 H 1 3.21 0.11 . 2 . . . . . . . . 5159 1 256 . 1 1 27 27 TRP C C 13 173.8 0.17 . 1 . . . . . . . . 5159 1 257 . 1 1 28 28 LYS N N 15 123.1 0.17 . 1 . . . . . . . . 5159 1 258 . 1 1 28 28 LYS H H 1 9.09 0.02 . 1 . . . . . . . . 5159 1 259 . 1 1 28 28 LYS CA C 13 54.3 0.4 . 1 . . . . . . . . 5159 1 260 . 1 1 28 28 LYS HA H 1 5.01 0.11 . 1 . . . . . . . . 5159 1 261 . 1 1 28 28 LYS CB C 13 34.7 0.6 . 1 . . . . . . . . 5159 1 262 . 1 1 28 28 LYS HB3 H 1 2.03 0.11 . 1 . . . . . . . . 5159 1 263 . 1 1 28 28 LYS HB2 H 1 2.03 0.11 . 1 . . . . . . . . 5159 1 264 . 1 1 28 28 LYS C C 13 176.2 0.17 . 1 . . . . . . . . 5159 1 265 . 1 1 29 29 GLU N N 15 124.6 0.17 . 1 . . . . . . . . 5159 1 266 . 1 1 29 29 GLU H H 1 9.25 0.02 . 1 . . . . . . . . 5159 1 267 . 1 1 29 29 GLU CA C 13 58.2 0.4 . 1 . . . . . . . . 5159 1 268 . 1 1 29 29 GLU HA H 1 3.67 0.11 . 1 . . . . . . . . 5159 1 269 . 1 1 29 29 GLU CB C 13 30.3 0.6 . 1 . . . . . . . . 5159 1 270 . 1 1 29 29 GLU HB3 H 1 1.94 0.11 . 1 . . . . . . . . 5159 1 271 . 1 1 29 29 GLU HB2 H 1 1.94 0.11 . 1 . . . . . . . . 5159 1 272 . 1 1 29 29 GLU CG C 13 36.5 0.6 . 1 . . . . . . . . 5159 1 273 . 1 1 29 29 GLU HG3 H 1 1.90 0.11 . 1 . . . . . . . . 5159 1 274 . 1 1 29 29 GLU HG2 H 1 1.90 0.11 . 1 . . . . . . . . 5159 1 275 . 1 1 29 29 GLU C C 13 176.3 0.17 . 1 . . . . . . . . 5159 1 276 . 1 1 30 30 ARG N N 15 125.7 0.17 . 1 . . . . . . . . 5159 1 277 . 1 1 30 30 ARG H H 1 9.59 0.02 . 1 . . . . . . . . 5159 1 278 . 1 1 30 30 ARG CA C 13 54.9 0.4 . 1 . . . . . . . . 5159 1 279 . 1 1 30 30 ARG HA H 1 4.70 0.11 . 1 . . . . . . . . 5159 1 280 . 1 1 30 30 ARG CB C 13 31.8 0.6 . 1 . . . . . . . . 5159 1 281 . 1 1 30 30 ARG HB3 H 1 1.60 0.11 . 2 . . . . . . . . 5159 1 282 . 1 1 30 30 ARG HB2 H 1 1.80 0.11 . 2 . . . . . . . . 5159 1 283 . 1 1 30 30 ARG HG3 H 1 1.72 0.11 . 1 . . . . . . . . 5159 1 284 . 1 1 30 30 ARG HG2 H 1 1.72 0.11 . 1 . . . . . . . . 5159 1 285 . 1 1 30 30 ARG C C 13 175.4 0.17 . 1 . . . . . . . . 5159 1 286 . 1 1 31 31 GLY N N 15 103.2 0.17 . 1 . . . . . . . . 5159 1 287 . 1 1 31 31 GLY H H 1 7.34 0.02 . 1 . . . . . . . . 5159 1 288 . 1 1 31 31 GLY CA C 13 45.6 0.4 . 1 . . . . . . . . 5159 1 289 . 1 1 31 31 GLY HA2 H 1 4.30 0.11 . 2 . . . . . . . . 5159 1 290 . 1 1 31 31 GLY HA3 H 1 4.09 0.11 . 2 . . . . . . . . 5159 1 291 . 1 1 31 31 GLY C C 13 169.7 0.17 . 1 . . . . . . . . 5159 1 292 . 1 1 32 32 LEU N N 15 121.6 0.17 . 1 . . . . . . . . 5159 1 293 . 1 1 32 32 LEU H H 1 8.30 0.02 . 1 . . . . . . . . 5159 1 294 . 1 1 32 32 LEU CA C 13 53.9 0.4 . 1 . . . . . . . . 5159 1 295 . 1 1 32 32 LEU HA H 1 5.31 0.11 . 1 . . . . . . . . 5159 1 296 . 1 1 32 32 LEU CB C 13 45.2 0.6 . 1 . . . . . . . . 5159 1 297 . 1 1 32 32 LEU HB3 H 1 1.64 0.11 . 1 . . . . . . . . 5159 1 298 . 1 1 32 32 LEU HB2 H 1 1.64 0.11 . 1 . . . . . . . . 5159 1 299 . 1 1 32 32 LEU CG C 13 28.0 0.6 . 1 . . . . . . . . 5159 1 300 . 1 1 32 32 LEU HG H 1 1.58 0.11 . 1 . . . . . . . . 5159 1 301 . 1 1 32 32 LEU CD1 C 13 25.0 0.6 . 1 . . . . . . . . 5159 1 302 . 1 1 32 32 LEU HD11 H 1 0.96 0.11 . 1 . . . . . . . . 5159 1 303 . 1 1 32 32 LEU HD12 H 1 0.96 0.11 . 1 . . . . . . . . 5159 1 304 . 1 1 32 32 LEU HD13 H 1 0.96 0.11 . 1 . . . . . . . . 5159 1 305 . 1 1 32 32 LEU C C 13 176.2 0.17 . 1 . . . . . . . . 5159 1 306 . 1 1 33 33 GLY N N 15 108.0 0.17 . 1 . . . . . . . . 5159 1 307 . 1 1 33 33 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 5159 1 308 . 1 1 33 33 GLY CA C 13 45.2 0.4 . 1 . . . . . . . . 5159 1 309 . 1 1 33 33 GLY HA2 H 1 4.65 0.11 . 2 . . . . . . . . 5159 1 310 . 1 1 33 33 GLY HA3 H 1 4.09 0.11 . 2 . . . . . . . . 5159 1 311 . 1 1 33 33 GLY C C 13 170.9 0.17 . 1 . . . . . . . . 5159 1 312 . 1 1 34 34 ASN N N 15 117.5 0.17 . 1 . . . . . . . . 5159 1 313 . 1 1 34 34 ASN H H 1 8.91 0.02 . 1 . . . . . . . . 5159 1 314 . 1 1 34 34 ASN CA C 13 52.9 0.4 . 1 . . . . . . . . 5159 1 315 . 1 1 34 34 ASN HA H 1 5.18 0.11 . 1 . . . . . . . . 5159 1 316 . 1 1 34 34 ASN CB C 13 38.5 0.6 . 1 . . . . . . . . 5159 1 317 . 1 1 34 34 ASN HB3 H 1 2.44 0.11 . 2 . . . . . . . . 5159 1 318 . 1 1 34 34 ASN HB2 H 1 2.83 0.11 . 2 . . . . . . . . 5159 1 319 . 1 1 34 34 ASN ND2 N 15 113.7 0.17 . 1 . . . . . . . . 5159 1 320 . 1 1 34 34 ASN HD21 H 1 7.88 0.11 . 2 . . . . . . . . 5159 1 321 . 1 1 34 34 ASN HD22 H 1 6.85 0.11 . 2 . . . . . . . . 5159 1 322 . 1 1 34 34 ASN C C 13 173.6 0.17 . 1 . . . . . . . . 5159 1 323 . 1 1 35 35 LEU N N 15 130.3 0.17 . 1 . . . . . . . . 5159 1 324 . 1 1 35 35 LEU H H 1 9.25 0.02 . 1 . . . . . . . . 5159 1 325 . 1 1 35 35 LEU CA C 13 54.8 0.4 . 1 . . . . . . . . 5159 1 326 . 1 1 35 35 LEU HA H 1 4.72 0.11 . 1 . . . . . . . . 5159 1 327 . 1 1 35 35 LEU CB C 13 44.7 0.6 . 1 . . . . . . . . 5159 1 328 . 1 1 35 35 LEU HB3 H 1 1.54 0.11 . 2 . . . . . . . . 5159 1 329 . 1 1 35 35 LEU HB2 H 1 2.12 0.11 . 2 . . . . . . . . 5159 1 330 . 1 1 35 35 LEU C C 13 174.4 0.17 . 1 . . . . . . . . 5159 1 331 . 1 1 36 36 LYS N N 15 123.1 0.17 . 1 . . . . . . . . 5159 1 332 . 1 1 36 36 LYS H H 1 9.12 0.02 . 1 . . . . . . . . 5159 1 333 . 1 1 36 36 LYS CA C 13 54.4 0.4 . 1 . . . . . . . . 5159 1 334 . 1 1 36 36 LYS HA H 1 5.76 0.11 . 1 . . . . . . . . 5159 1 335 . 1 1 36 36 LYS CB C 13 36.9 0.6 . 1 . . . . . . . . 5159 1 336 . 1 1 36 36 LYS HB3 H 1 1.92 0.11 . 1 . . . . . . . . 5159 1 337 . 1 1 36 36 LYS HB2 H 1 1.92 0.11 . 1 . . . . . . . . 5159 1 338 . 1 1 36 36 LYS C C 13 175.5 0.17 . 1 . . . . . . . . 5159 1 339 . 1 1 37 37 ILE N N 15 117.5 0.17 . 1 . . . . . . . . 5159 1 340 . 1 1 37 37 ILE H H 1 8.27 0.02 . 1 . . . . . . . . 5159 1 341 . 1 1 37 37 ILE CA C 13 61.1 0.4 . 1 . . . . . . . . 5159 1 342 . 1 1 37 37 ILE HA H 1 5.09 0.11 . 1 . . . . . . . . 5159 1 343 . 1 1 37 37 ILE CB C 13 39.5 0.6 . 1 . . . . . . . . 5159 1 344 . 1 1 37 37 ILE HB H 1 1.77 0.11 . 1 . . . . . . . . 5159 1 345 . 1 1 37 37 ILE HG13 H 1 1.24 0.11 . 2 . . . . . . . . 5159 1 346 . 1 1 37 37 ILE HG12 H 1 1.95 0.11 . 2 . . . . . . . . 5159 1 347 . 1 1 37 37 ILE CG2 C 13 17.9 0.6 . 1 . . . . . . . . 5159 1 348 . 1 1 37 37 ILE HG21 H 1 0.98 0.11 . 1 . . . . . . . . 5159 1 349 . 1 1 37 37 ILE HG22 H 1 0.98 0.11 . 1 . . . . . . . . 5159 1 350 . 1 1 37 37 ILE HG23 H 1 0.98 0.11 . 1 . . . . . . . . 5159 1 351 . 1 1 37 37 ILE CD1 C 13 12.7 0.6 . 1 . . . . . . . . 5159 1 352 . 1 1 37 37 ILE HD11 H 1 0.71 0.11 . 1 . . . . . . . . 5159 1 353 . 1 1 37 37 ILE HD12 H 1 0.71 0.11 . 1 . . . . . . . . 5159 1 354 . 1 1 37 37 ILE HD13 H 1 0.71 0.11 . 1 . . . . . . . . 5159 1 355 . 1 1 37 37 ILE C C 13 175.4 0.17 . 1 . . . . . . . . 5159 1 356 . 1 1 38 38 LEU N N 15 127.5 0.17 . 1 . . . . . . . . 5159 1 357 . 1 1 38 38 LEU H H 1 9.65 0.02 . 1 . . . . . . . . 5159 1 358 . 1 1 38 38 LEU CA C 13 53.5 0.4 . 1 . . . . . . . . 5159 1 359 . 1 1 38 38 LEU HA H 1 5.53 0.11 . 1 . . . . . . . . 5159 1 360 . 1 1 38 38 LEU CB C 13 45.7 0.6 . 1 . . . . . . . . 5159 1 361 . 1 1 38 38 LEU HB3 H 1 1.64 0.11 . 2 . . . . . . . . 5159 1 362 . 1 1 38 38 LEU HB2 H 1 1.82 0.11 . 2 . . . . . . . . 5159 1 363 . 1 1 38 38 LEU HD11 H 1 0.96 0.11 . 4 . . . . . . . . 5159 1 364 . 1 1 38 38 LEU HD12 H 1 0.96 0.11 . 4 . . . . . . . . 5159 1 365 . 1 1 38 38 LEU HD13 H 1 0.96 0.11 . 4 . . . . . . . . 5159 1 366 . 1 1 38 38 LEU C C 13 175.5 0.17 . 1 . . . . . . . . 5159 1 367 . 1 1 39 39 LYS N N 15 120.0 0.17 . 1 . . . . . . . . 5159 1 368 . 1 1 39 39 LYS H H 1 9.23 0.02 . 1 . . . . . . . . 5159 1 369 . 1 1 39 39 LYS CA C 13 54.2 0.4 . 1 . . . . . . . . 5159 1 370 . 1 1 39 39 LYS HA H 1 5.29 0.11 . 1 . . . . . . . . 5159 1 371 . 1 1 39 39 LYS CB C 13 36.9 0.6 . 1 . . . . . . . . 5159 1 372 . 1 1 39 39 LYS HB3 H 1 1.64 0.11 . 2 . . . . . . . . 5159 1 373 . 1 1 39 39 LYS HB2 H 1 1.89 0.11 . 2 . . . . . . . . 5159 1 374 . 1 1 39 39 LYS C C 13 175.1 0.17 . 1 . . . . . . . . 5159 1 375 . 1 1 40 40 ASN N N 15 127.1 0.17 . 1 . . . . . . . . 5159 1 376 . 1 1 40 40 ASN H H 1 9.13 0.02 . 1 . . . . . . . . 5159 1 377 . 1 1 40 40 ASN CA C 13 53.5 0.4 . 1 . . . . . . . . 5159 1 378 . 1 1 40 40 ASN HA H 1 4.97 0.11 . 1 . . . . . . . . 5159 1 379 . 1 1 40 40 ASN CB C 13 39.2 0.6 . 1 . . . . . . . . 5159 1 380 . 1 1 40 40 ASN HB3 H 1 2.99 0.11 . 2 . . . . . . . . 5159 1 381 . 1 1 40 40 ASN HB2 H 1 3.61 0.11 . 2 . . . . . . . . 5159 1 382 . 1 1 40 40 ASN ND2 N 15 115.0 0.17 . 1 . . . . . . . . 5159 1 383 . 1 1 40 40 ASN HD21 H 1 8.26 0.11 . 2 . . . . . . . . 5159 1 384 . 1 1 40 40 ASN HD22 H 1 7.34 0.11 . 2 . . . . . . . . 5159 1 385 . 1 1 40 40 ASN C C 13 176.3 0.17 . 1 . . . . . . . . 5159 1 386 . 1 1 41 41 GLU N N 15 125.6 0.17 . 1 . . . . . . . . 5159 1 387 . 1 1 41 41 GLU H H 1 9.14 0.02 . 1 . . . . . . . . 5159 1 388 . 1 1 41 41 GLU CA C 13 58.3 0.4 . 1 . . . . . . . . 5159 1 389 . 1 1 41 41 GLU HA H 1 4.32 0.11 . 1 . . . . . . . . 5159 1 390 . 1 1 41 41 GLU CB C 13 30.4 0.6 . 1 . . . . . . . . 5159 1 391 . 1 1 41 41 GLU HB3 H 1 2.11 0.11 . 2 . . . . . . . . 5159 1 392 . 1 1 41 41 GLU HB2 H 1 2.28 0.11 . 2 . . . . . . . . 5159 1 393 . 1 1 41 41 GLU CG C 13 36.8 0.6 . 1 . . . . . . . . 5159 1 394 . 1 1 41 41 GLU HG3 H 1 2.29 0.11 . 2 . . . . . . . . 5159 1 395 . 1 1 41 41 GLU HG2 H 1 2.47 0.11 . 2 . . . . . . . . 5159 1 396 . 1 1 41 41 GLU C C 13 177.0 0.17 . 1 . . . . . . . . 5159 1 397 . 1 1 42 42 VAL N N 15 118.4 0.17 . 1 . . . . . . . . 5159 1 398 . 1 1 42 42 VAL H H 1 8.62 0.02 . 1 . . . . . . . . 5159 1 399 . 1 1 42 42 VAL CA C 13 64.8 0.4 . 1 . . . . . . . . 5159 1 400 . 1 1 42 42 VAL HA H 1 4.06 0.11 . 1 . . . . . . . . 5159 1 401 . 1 1 42 42 VAL CB C 13 32.1 0.6 . 1 . . . . . . . . 5159 1 402 . 1 1 42 42 VAL HB H 1 2.36 0.11 . 1 . . . . . . . . 5159 1 403 . 1 1 42 42 VAL CG1 C 13 21.7 0.6 . 2 . . . . . . . . 5159 1 404 . 1 1 42 42 VAL HG11 H 1 1.12 0.11 . 2 . . . . . . . . 5159 1 405 . 1 1 42 42 VAL HG12 H 1 1.12 0.11 . 2 . . . . . . . . 5159 1 406 . 1 1 42 42 VAL HG13 H 1 1.12 0.11 . 2 . . . . . . . . 5159 1 407 . 1 1 42 42 VAL CG2 C 13 20.7 0.6 . 2 . . . . . . . . 5159 1 408 . 1 1 42 42 VAL HG21 H 1 1.04 0.11 . 2 . . . . . . . . 5159 1 409 . 1 1 42 42 VAL HG22 H 1 1.04 0.11 . 2 . . . . . . . . 5159 1 410 . 1 1 42 42 VAL HG23 H 1 1.04 0.11 . 2 . . . . . . . . 5159 1 411 . 1 1 42 42 VAL C C 13 177.4 0.17 . 1 . . . . . . . . 5159 1 412 . 1 1 43 43 ASN N N 15 113.2 0.17 . 1 . . . . . . . . 5159 1 413 . 1 1 43 43 ASN H H 1 7.88 0.02 . 1 . . . . . . . . 5159 1 414 . 1 1 43 43 ASN CA C 13 51.8 0.4 . 1 . . . . . . . . 5159 1 415 . 1 1 43 43 ASN HA H 1 4.92 0.11 . 1 . . . . . . . . 5159 1 416 . 1 1 43 43 ASN CB C 13 39.3 0.6 . 1 . . . . . . . . 5159 1 417 . 1 1 43 43 ASN HB3 H 1 2.69 0.11 . 2 . . . . . . . . 5159 1 418 . 1 1 43 43 ASN HB2 H 1 3.19 0.11 . 2 . . . . . . . . 5159 1 419 . 1 1 43 43 ASN ND2 N 15 108.4 0.17 . 1 . . . . . . . . 5159 1 420 . 1 1 43 43 ASN HD21 H 1 7.39 0.11 . 2 . . . . . . . . 5159 1 421 . 1 1 43 43 ASN HD22 H 1 6.55 0.11 . 2 . . . . . . . . 5159 1 422 . 1 1 43 43 ASN C C 13 177.0 0.17 . 1 . . . . . . . . 5159 1 423 . 1 1 44 44 GLY N N 15 108.4 0.17 . 1 . . . . . . . . 5159 1 424 . 1 1 44 44 GLY H H 1 8.00 0.02 . 1 . . . . . . . . 5159 1 425 . 1 1 44 44 GLY CA C 13 46.4 0.4 . 1 . . . . . . . . 5159 1 426 . 1 1 44 44 GLY HA2 H 1 4.17 0.11 . 2 . . . . . . . . 5159 1 427 . 1 1 44 44 GLY HA3 H 1 3.86 0.11 . 2 . . . . . . . . 5159 1 428 . 1 1 44 44 GLY C C 13 174.1 0.17 . 1 . . . . . . . . 5159 1 429 . 1 1 45 45 LYS N N 15 118.2 0.17 . 1 . . . . . . . . 5159 1 430 . 1 1 45 45 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 5159 1 431 . 1 1 45 45 LYS CA C 13 57.9 0.4 . 1 . . . . . . . . 5159 1 432 . 1 1 45 45 LYS HA H 1 4.14 0.11 . 1 . . . . . . . . 5159 1 433 . 1 1 45 45 LYS CB C 13 34.1 0.6 . 1 . . . . . . . . 5159 1 434 . 1 1 45 45 LYS HB3 H 1 1.71 0.11 . 1 . . . . . . . . 5159 1 435 . 1 1 45 45 LYS HB2 H 1 1.71 0.11 . 1 . . . . . . . . 5159 1 436 . 1 1 45 45 LYS C C 13 176.2 0.17 . 1 . . . . . . . . 5159 1 437 . 1 1 46 46 LEU N N 15 120.6 0.17 . 1 . . . . . . . . 5159 1 438 . 1 1 46 46 LEU H H 1 8.48 0.02 . 1 . . . . . . . . 5159 1 439 . 1 1 46 46 LEU CA C 13 53.3 0.4 . 1 . . . . . . . . 5159 1 440 . 1 1 46 46 LEU HA H 1 5.82 0.11 . 1 . . . . . . . . 5159 1 441 . 1 1 46 46 LEU CB C 13 46.9 0.6 . 1 . . . . . . . . 5159 1 442 . 1 1 46 46 LEU HB3 H 1 1.48 0.11 . 2 . . . . . . . . 5159 1 443 . 1 1 46 46 LEU HB2 H 1 1.91 0.11 . 2 . . . . . . . . 5159 1 444 . 1 1 46 46 LEU HD11 H 1 0.90 0.11 . 4 . . . . . . . . 5159 1 445 . 1 1 46 46 LEU HD12 H 1 0.90 0.11 . 4 . . . . . . . . 5159 1 446 . 1 1 46 46 LEU HD13 H 1 0.90 0.11 . 4 . . . . . . . . 5159 1 447 . 1 1 46 46 LEU C C 13 176.1 0.17 . 1 . . . . . . . . 5159 1 448 . 1 1 47 47 ARG N N 15 123.9 0.17 . 1 . . . . . . . . 5159 1 449 . 1 1 47 47 ARG H H 1 9.54 0.02 . 1 . . . . . . . . 5159 1 450 . 1 1 47 47 ARG CA C 13 54.7 0.4 . 1 . . . . . . . . 5159 1 451 . 1 1 47 47 ARG HA H 1 5.29 0.11 . 1 . . . . . . . . 5159 1 452 . 1 1 47 47 ARG CB C 13 36.4 0.6 . 1 . . . . . . . . 5159 1 453 . 1 1 47 47 ARG HB3 H 1 1.88 0.11 . 1 . . . . . . . . 5159 1 454 . 1 1 47 47 ARG HB2 H 1 1.88 0.11 . 1 . . . . . . . . 5159 1 455 . 1 1 48 48 MET N N 15 123.2 0.17 . 1 . . . . . . . . 5159 1 456 . 1 1 48 48 MET H H 1 9.07 0.02 . 1 . . . . . . . . 5159 1 457 . 1 1 48 48 MET CA C 13 54.2 0.4 . 1 . . . . . . . . 5159 1 458 . 1 1 48 48 MET HA H 1 5.43 0.11 . 1 . . . . . . . . 5159 1 459 . 1 1 48 48 MET CB C 13 35.3 0.6 . 1 . . . . . . . . 5159 1 460 . 1 1 48 48 MET HB3 H 1 1.43 0.11 . 1 . . . . . . . . 5159 1 461 . 1 1 48 48 MET HB2 H 1 1.43 0.11 . 1 . . . . . . . . 5159 1 462 . 1 1 48 48 MET CG C 13 32.5 0.6 . 1 . . . . . . . . 5159 1 463 . 1 1 48 48 MET HG3 H 1 2.43 0.11 . 2 . . . . . . . . 5159 1 464 . 1 1 48 48 MET HG2 H 1 2.59 0.11 . 2 . . . . . . . . 5159 1 465 . 1 1 48 48 MET C C 13 173.9 0.17 . 1 . . . . . . . . 5159 1 466 . 1 1 49 49 LEU N N 15 123.3 0.17 . 1 . . . . . . . . 5159 1 467 . 1 1 49 49 LEU H H 1 8.65 0.02 . 1 . . . . . . . . 5159 1 468 . 1 1 49 49 LEU CA C 13 53.0 0.4 . 1 . . . . . . . . 5159 1 469 . 1 1 49 49 LEU HA H 1 5.12 0.11 . 1 . . . . . . . . 5159 1 470 . 1 1 49 49 LEU CB C 13 47.7 0.6 . 1 . . . . . . . . 5159 1 471 . 1 1 49 49 LEU HB3 H 1 1.21 0.11 . 2 . . . . . . . . 5159 1 472 . 1 1 49 49 LEU HB2 H 1 1.58 0.11 . 2 . . . . . . . . 5159 1 473 . 1 1 49 49 LEU HD11 H 1 0.92 0.11 . 4 . . . . . . . . 5159 1 474 . 1 1 49 49 LEU HD12 H 1 0.92 0.11 . 4 . . . . . . . . 5159 1 475 . 1 1 49 49 LEU HD13 H 1 0.92 0.11 . 4 . . . . . . . . 5159 1 476 . 1 1 49 49 LEU C C 13 175.1 0.17 . 1 . . . . . . . . 5159 1 477 . 1 1 50 50 MET N N 15 124.9 0.17 . 1 . . . . . . . . 5159 1 478 . 1 1 50 50 MET H H 1 8.97 0.02 . 1 . . . . . . . . 5159 1 479 . 1 1 50 50 MET CA C 13 55.5 0.4 . 1 . . . . . . . . 5159 1 480 . 1 1 50 50 MET HA H 1 5.21 0.11 . 1 . . . . . . . . 5159 1 481 . 1 1 50 50 MET CB C 13 37.6 0.6 . 1 . . . . . . . . 5159 1 482 . 1 1 50 50 MET HB3 H 1 1.95 0.11 . 1 . . . . . . . . 5159 1 483 . 1 1 50 50 MET HB2 H 1 1.95 0.11 . 1 . . . . . . . . 5159 1 484 . 1 1 50 50 MET CG C 13 33.2 0.6 . 1 . . . . . . . . 5159 1 485 . 1 1 50 50 MET HG3 H 1 1.97 0.11 . 2 . . . . . . . . 5159 1 486 . 1 1 50 50 MET HG2 H 1 2.42 0.11 . 2 . . . . . . . . 5159 1 487 . 1 1 50 50 MET C C 13 174.3 0.17 . 1 . . . . . . . . 5159 1 488 . 1 1 51 51 ARG N N 15 125.7 0.17 . 1 . . . . . . . . 5159 1 489 . 1 1 51 51 ARG H H 1 8.81 0.02 . 1 . . . . . . . . 5159 1 490 . 1 1 51 51 ARG CA C 13 54.3 0.4 . 1 . . . . . . . . 5159 1 491 . 1 1 51 51 ARG HA H 1 5.11 0.11 . 1 . . . . . . . . 5159 1 492 . 1 1 51 51 ARG CB C 13 32.6 0.6 . 1 . . . . . . . . 5159 1 493 . 1 1 51 51 ARG HB3 H 1 1.53 0.11 . 2 . . . . . . . . 5159 1 494 . 1 1 51 51 ARG HB2 H 1 1.76 0.11 . 2 . . . . . . . . 5159 1 495 . 1 1 51 51 ARG CG C 13 27.8 0.6 . 1 . . . . . . . . 5159 1 496 . 1 1 51 51 ARG HG3 H 1 1.58 0.11 . 1 . . . . . . . . 5159 1 497 . 1 1 51 51 ARG HG2 H 1 1.58 0.11 . 1 . . . . . . . . 5159 1 498 . 1 1 51 51 ARG C C 13 175.5 0.17 . 1 . . . . . . . . 5159 1 499 . 1 1 52 52 ARG N N 15 123.1 0.17 . 1 . . . . . . . . 5159 1 500 . 1 1 52 52 ARG H H 1 8.80 0.02 . 1 . . . . . . . . 5159 1 501 . 1 1 52 52 ARG CA C 13 56.6 0.4 . 1 . . . . . . . . 5159 1 502 . 1 1 52 52 ARG HA H 1 4.31 0.11 . 1 . . . . . . . . 5159 1 503 . 1 1 52 52 ARG CB C 13 32.2 0.6 . 1 . . . . . . . . 5159 1 504 . 1 1 52 52 ARG HB3 H 1 1.76 0.11 . 2 . . . . . . . . 5159 1 505 . 1 1 52 52 ARG HB2 H 1 2.09 0.11 . 2 . . . . . . . . 5159 1 506 . 1 1 52 52 ARG C C 13 176.6 0.17 . 1 . . . . . . . . 5159 1 507 . 1 1 53 53 GLU N N 15 122.0 0.17 . 1 . . . . . . . . 5159 1 508 . 1 1 53 53 GLU H H 1 9.13 0.02 . 1 . . . . . . . . 5159 1 509 . 1 1 53 53 GLU CA C 13 57.2 0.4 . 1 . . . . . . . . 5159 1 510 . 1 1 53 53 GLU HA H 1 4.32 0.11 . 1 . . . . . . . . 5159 1 511 . 1 1 53 53 GLU CB C 13 30.0 0.6 . 1 . . . . . . . . 5159 1 512 . 1 1 53 53 GLU HB3 H 1 2.20 0.11 . 1 . . . . . . . . 5159 1 513 . 1 1 53 53 GLU HB2 H 1 2.20 0.11 . 1 . . . . . . . . 5159 1 514 . 1 1 53 53 GLU CG C 13 34.9 0.6 . 1 . . . . . . . . 5159 1 515 . 1 1 53 53 GLU HG3 H 1 2.32 0.11 . 2 . . . . . . . . 5159 1 516 . 1 1 53 53 GLU HG2 H 1 2.54 0.11 . 2 . . . . . . . . 5159 1 517 . 1 1 53 53 GLU C C 13 178.1 0.17 . 1 . . . . . . . . 5159 1 518 . 1 1 54 54 GLN N N 15 116.9 0.17 . 1 . . . . . . . . 5159 1 519 . 1 1 54 54 GLN H H 1 9.25 0.02 . 1 . . . . . . . . 5159 1 520 . 1 1 54 54 GLN CA C 13 61.0 0.4 . 1 . . . . . . . . 5159 1 521 . 1 1 54 54 GLN HA H 1 3.94 0.11 . 1 . . . . . . . . 5159 1 522 . 1 1 54 54 GLN CB C 13 28.0 0.6 . 1 . . . . . . . . 5159 1 523 . 1 1 54 54 GLN HB3 H 1 2.47 0.11 . 2 . . . . . . . . 5159 1 524 . 1 1 54 54 GLN HB2 H 1 2.55 0.11 . 2 . . . . . . . . 5159 1 525 . 1 1 54 54 GLN CG C 13 34.2 0.6 . 1 . . . . . . . . 5159 1 526 . 1 1 54 54 GLN HG3 H 1 2.47 0.11 . 1 . . . . . . . . 5159 1 527 . 1 1 54 54 GLN HG2 H 1 2.47 0.11 . 1 . . . . . . . . 5159 1 528 . 1 1 54 54 GLN C C 13 177.2 0.17 . 1 . . . . . . . . 5159 1 529 . 1 1 55 55 VAL N N 15 115.7 0.17 . 1 . . . . . . . . 5159 1 530 . 1 1 55 55 VAL H H 1 8.78 0.02 . 1 . . . . . . . . 5159 1 531 . 1 1 55 55 VAL CA C 13 62.3 0.4 . 1 . . . . . . . . 5159 1 532 . 1 1 55 55 VAL HA H 1 4.31 0.11 . 1 . . . . . . . . 5159 1 533 . 1 1 55 55 VAL CB C 13 32.8 0.6 . 1 . . . . . . . . 5159 1 534 . 1 1 55 55 VAL HB H 1 2.35 0.11 . 1 . . . . . . . . 5159 1 535 . 1 1 55 55 VAL CG1 C 13 21.6 0.6 . 2 . . . . . . . . 5159 1 536 . 1 1 55 55 VAL HG11 H 1 1.16 0.11 . 2 . . . . . . . . 5159 1 537 . 1 1 55 55 VAL HG12 H 1 1.16 0.11 . 2 . . . . . . . . 5159 1 538 . 1 1 55 55 VAL HG13 H 1 1.16 0.11 . 2 . . . . . . . . 5159 1 539 . 1 1 55 55 VAL CG2 C 13 20.2 0.6 . 2 . . . . . . . . 5159 1 540 . 1 1 55 55 VAL HG21 H 1 1.10 0.11 . 2 . . . . . . . . 5159 1 541 . 1 1 55 55 VAL HG22 H 1 1.10 0.11 . 2 . . . . . . . . 5159 1 542 . 1 1 55 55 VAL HG23 H 1 1.10 0.11 . 2 . . . . . . . . 5159 1 543 . 1 1 55 55 VAL C C 13 176.3 0.17 . 1 . . . . . . . . 5159 1 544 . 1 1 56 56 LEU N N 15 115.4 0.17 . 1 . . . . . . . . 5159 1 545 . 1 1 56 56 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 5159 1 546 . 1 1 56 56 LEU CA C 13 56.4 0.4 . 1 . . . . . . . . 5159 1 547 . 1 1 56 56 LEU HA H 1 4.23 0.11 . 1 . . . . . . . . 5159 1 548 . 1 1 56 56 LEU CB C 13 38.5 0.6 . 1 . . . . . . . . 5159 1 549 . 1 1 56 56 LEU HB3 H 1 1.65 0.11 . 2 . . . . . . . . 5159 1 550 . 1 1 56 56 LEU HB2 H 1 2.13 0.11 . 2 . . . . . . . . 5159 1 551 . 1 1 56 56 LEU HG H 1 1.56 0.11 . 4 . . . . . . . . 5159 1 552 . 1 1 56 56 LEU C C 13 175.7 0.17 . 1 . . . . . . . . 5159 1 553 . 1 1 57 57 LYS N N 15 117.9 0.17 . 1 . . . . . . . . 5159 1 554 . 1 1 57 57 LYS H H 1 6.51 0.02 . 1 . . . . . . . . 5159 1 555 . 1 1 57 57 LYS CA C 13 55.5 0.4 . 1 . . . . . . . . 5159 1 556 . 1 1 57 57 LYS HA H 1 4.54 0.11 . 1 . . . . . . . . 5159 1 557 . 1 1 57 57 LYS CB C 13 34.6 0.6 . 1 . . . . . . . . 5159 1 558 . 1 1 57 57 LYS HB3 H 1 1.77 0.11 . 1 . . . . . . . . 5159 1 559 . 1 1 57 57 LYS HB2 H 1 1.77 0.11 . 1 . . . . . . . . 5159 1 560 . 1 1 57 57 LYS C C 13 176.4 0.17 . 1 . . . . . . . . 5159 1 561 . 1 1 58 58 VAL N N 15 127.3 0.17 . 1 . . . . . . . . 5159 1 562 . 1 1 58 58 VAL H H 1 9.11 0.02 . 1 . . . . . . . . 5159 1 563 . 1 1 58 58 VAL CA C 13 64.3 0.4 . 1 . . . . . . . . 5159 1 564 . 1 1 58 58 VAL HA H 1 4.30 0.11 . 1 . . . . . . . . 5159 1 565 . 1 1 58 58 VAL CB C 13 32.0 0.6 . 1 . . . . . . . . 5159 1 566 . 1 1 58 58 VAL HB H 1 2.28 0.11 . 1 . . . . . . . . 5159 1 567 . 1 1 58 58 VAL CG1 C 13 22.1 0.6 . 1 . . . . . . . . 5159 1 568 . 1 1 58 58 VAL HG11 H 1 1.21 0.11 . 2 . . . . . . . . 5159 1 569 . 1 1 58 58 VAL HG12 H 1 1.21 0.11 . 2 . . . . . . . . 5159 1 570 . 1 1 58 58 VAL HG13 H 1 1.21 0.11 . 2 . . . . . . . . 5159 1 571 . 1 1 58 58 VAL CG2 C 13 22.1 0.6 . 1 . . . . . . . . 5159 1 572 . 1 1 58 58 VAL HG21 H 1 1.14 0.11 . 2 . . . . . . . . 5159 1 573 . 1 1 58 58 VAL HG22 H 1 1.14 0.11 . 2 . . . . . . . . 5159 1 574 . 1 1 58 58 VAL HG23 H 1 1.14 0.11 . 2 . . . . . . . . 5159 1 575 . 1 1 58 58 VAL C C 13 176.2 0.17 . 1 . . . . . . . . 5159 1 576 . 1 1 59 59 CYS N N 15 121.9 0.17 . 1 . . . . . . . . 5159 1 577 . 1 1 59 59 CYS H H 1 9.11 0.02 . 1 . . . . . . . . 5159 1 578 . 1 1 59 59 CYS CA C 13 57.4 0.4 . 1 . . . . . . . . 5159 1 579 . 1 1 59 59 CYS HA H 1 4.93 0.11 . 1 . . . . . . . . 5159 1 580 . 1 1 59 59 CYS CB C 13 30.4 0.6 . 1 . . . . . . . . 5159 1 581 . 1 1 59 59 CYS HB3 H 1 2.53 0.11 . 2 . . . . . . . . 5159 1 582 . 1 1 59 59 CYS HB2 H 1 3.07 0.11 . 2 . . . . . . . . 5159 1 583 . 1 1 59 59 CYS C C 13 172.6 0.17 . 1 . . . . . . . . 5159 1 584 . 1 1 60 60 ALA N N 15 121.2 0.17 . 1 . . . . . . . . 5159 1 585 . 1 1 60 60 ALA H H 1 7.66 0.02 . 1 . . . . . . . . 5159 1 586 . 1 1 60 60 ALA CA C 13 52.9 0.4 . 1 . . . . . . . . 5159 1 587 . 1 1 60 60 ALA HA H 1 4.81 0.11 . 1 . . . . . . . . 5159 1 588 . 1 1 60 60 ALA CB C 13 21.2 0.6 . 1 . . . . . . . . 5159 1 589 . 1 1 60 60 ALA HB1 H 1 1.38 0.11 . 1 . . . . . . . . 5159 1 590 . 1 1 60 60 ALA HB2 H 1 1.38 0.11 . 1 . . . . . . . . 5159 1 591 . 1 1 60 60 ALA HB3 H 1 1.38 0.11 . 1 . . . . . . . . 5159 1 592 . 1 1 60 60 ALA C C 13 175.5 0.17 . 1 . . . . . . . . 5159 1 593 . 1 1 61 61 ASN N N 15 121.1 0.17 . 1 . . . . . . . . 5159 1 594 . 1 1 61 61 ASN H H 1 9.77 0.02 . 1 . . . . . . . . 5159 1 595 . 1 1 61 61 ASN CA C 13 52.4 0.4 . 1 . . . . . . . . 5159 1 596 . 1 1 61 61 ASN HA H 1 5.28 0.11 . 1 . . . . . . . . 5159 1 597 . 1 1 61 61 ASN CB C 13 37.6 0.6 . 1 . . . . . . . . 5159 1 598 . 1 1 61 61 ASN HB3 H 1 2.29 0.11 . 2 . . . . . . . . 5159 1 599 . 1 1 61 61 ASN HB2 H 1 2.65 0.11 . 2 . . . . . . . . 5159 1 600 . 1 1 61 61 ASN ND2 N 15 104.7 0.17 . 1 . . . . . . . . 5159 1 601 . 1 1 61 61 ASN HD21 H 1 7.02 0.11 . 2 . . . . . . . . 5159 1 602 . 1 1 61 61 ASN HD22 H 1 6.48 0.11 . 2 . . . . . . . . 5159 1 603 . 1 1 61 61 ASN C C 13 172.3 0.17 . 1 . . . . . . . . 5159 1 604 . 1 1 62 62 HIS N N 15 117.1 0.17 . 1 . . . . . . . . 5159 1 605 . 1 1 62 62 HIS H H 1 8.34 0.02 . 1 . . . . . . . . 5159 1 606 . 1 1 62 62 HIS CA C 13 54.3 0.4 . 1 . . . . . . . . 5159 1 607 . 1 1 62 62 HIS HA H 1 4.62 0.11 . 1 . . . . . . . . 5159 1 608 . 1 1 62 62 HIS CB C 13 31.6 0.6 . 1 . . . . . . . . 5159 1 609 . 1 1 62 62 HIS HB3 H 1 3.56 0.11 . 2 . . . . . . . . 5159 1 610 . 1 1 62 62 HIS HB2 H 1 3.22 0.11 . 2 . . . . . . . . 5159 1 611 . 1 1 62 62 HIS C C 13 173.4 0.17 . 1 . . . . . . . . 5159 1 612 . 1 1 63 63 TRP N N 15 118.6 0.17 . 1 . . . . . . . . 5159 1 613 . 1 1 63 63 TRP H H 1 8.64 0.02 . 1 . . . . . . . . 5159 1 614 . 1 1 63 63 TRP CA C 13 56.1 0.4 . 1 . . . . . . . . 5159 1 615 . 1 1 63 63 TRP HA H 1 5.73 0.11 . 1 . . . . . . . . 5159 1 616 . 1 1 63 63 TRP CB C 13 30.3 0.6 . 1 . . . . . . . . 5159 1 617 . 1 1 63 63 TRP HB3 H 1 3.32 0.11 . 2 . . . . . . . . 5159 1 618 . 1 1 63 63 TRP HB2 H 1 3.72 0.11 . 2 . . . . . . . . 5159 1 619 . 1 1 63 63 TRP C C 13 178.0 0.17 . 1 . . . . . . . . 5159 1 620 . 1 1 64 64 ILE N N 15 122.7 0.17 . 1 . . . . . . . . 5159 1 621 . 1 1 64 64 ILE H H 1 8.75 0.02 . 1 . . . . . . . . 5159 1 622 . 1 1 64 64 ILE CA C 13 62.6 0.4 . 1 . . . . . . . . 5159 1 623 . 1 1 64 64 ILE HA H 1 4.64 0.11 . 1 . . . . . . . . 5159 1 624 . 1 1 64 64 ILE CB C 13 38.3 0.6 . 1 . . . . . . . . 5159 1 625 . 1 1 64 64 ILE HB H 1 1.80 0.11 . 1 . . . . . . . . 5159 1 626 . 1 1 64 64 ILE HG13 H 1 1.22 0.11 . 2 . . . . . . . . 5159 1 627 . 1 1 64 64 ILE HG12 H 1 1.89 0.11 . 2 . . . . . . . . 5159 1 628 . 1 1 64 64 ILE CG2 C 13 16.9 0.6 . 1 . . . . . . . . 5159 1 629 . 1 1 64 64 ILE HG21 H 1 0.90 0.11 . 1 . . . . . . . . 5159 1 630 . 1 1 64 64 ILE HG22 H 1 0.90 0.11 . 1 . . . . . . . . 5159 1 631 . 1 1 64 64 ILE HG23 H 1 0.90 0.11 . 1 . . . . . . . . 5159 1 632 . 1 1 64 64 ILE CD1 C 13 14.0 0.6 . 1 . . . . . . . . 5159 1 633 . 1 1 64 64 ILE HD11 H 1 0.91 0.11 . 1 . . . . . . . . 5159 1 634 . 1 1 64 64 ILE HD12 H 1 0.91 0.11 . 1 . . . . . . . . 5159 1 635 . 1 1 64 64 ILE HD13 H 1 0.91 0.11 . 1 . . . . . . . . 5159 1 636 . 1 1 64 64 ILE C C 13 175.2 0.17 . 1 . . . . . . . . 5159 1 637 . 1 1 65 65 THR N N 15 114.6 0.17 . 1 . . . . . . . . 5159 1 638 . 1 1 65 65 THR H H 1 7.40 0.02 . 1 . . . . . . . . 5159 1 639 . 1 1 65 65 THR CA C 13 59.2 0.4 . 1 . . . . . . . . 5159 1 640 . 1 1 65 65 THR HA H 1 5.23 0.11 . 1 . . . . . . . . 5159 1 641 . 1 1 65 65 THR CB C 13 71.7 0.6 . 1 . . . . . . . . 5159 1 642 . 1 1 65 65 THR HB H 1 4.84 0.11 . 1 . . . . . . . . 5159 1 643 . 1 1 65 65 THR CG2 C 13 21.3 0.6 . 1 . . . . . . . . 5159 1 644 . 1 1 65 65 THR HG21 H 1 1.53 0.11 . 1 . . . . . . . . 5159 1 645 . 1 1 65 65 THR HG22 H 1 1.53 0.11 . 1 . . . . . . . . 5159 1 646 . 1 1 65 65 THR HG23 H 1 1.53 0.11 . 1 . . . . . . . . 5159 1 647 . 1 1 65 65 THR C C 13 176.4 0.17 . 1 . . . . . . . . 5159 1 648 . 1 1 66 66 THR N N 15 109.5 0.17 . 1 . . . . . . . . 5159 1 649 . 1 1 66 66 THR H H 1 8.99 0.02 . 1 . . . . . . . . 5159 1 650 . 1 1 66 66 THR CA C 13 64.4 0.4 . 1 . . . . . . . . 5159 1 651 . 1 1 66 66 THR HA H 1 4.18 0.11 . 1 . . . . . . . . 5159 1 652 . 1 1 66 66 THR CB C 13 68.7 0.6 . 1 . . . . . . . . 5159 1 653 . 1 1 66 66 THR HB H 1 4.52 0.11 . 1 . . . . . . . . 5159 1 654 . 1 1 66 66 THR CG2 C 13 23.0 0.6 . 1 . . . . . . . . 5159 1 655 . 1 1 66 66 THR HG21 H 1 1.44 0.11 . 1 . . . . . . . . 5159 1 656 . 1 1 66 66 THR HG22 H 1 1.44 0.11 . 1 . . . . . . . . 5159 1 657 . 1 1 66 66 THR HG23 H 1 1.44 0.11 . 1 . . . . . . . . 5159 1 658 . 1 1 66 66 THR C C 13 175.3 0.17 . 1 . . . . . . . . 5159 1 659 . 1 1 67 67 THR N N 15 107.6 0.17 . 1 . . . . . . . . 5159 1 660 . 1 1 67 67 THR H H 1 7.55 0.02 . 1 . . . . . . . . 5159 1 661 . 1 1 67 67 THR CA C 13 61.5 0.4 . 1 . . . . . . . . 5159 1 662 . 1 1 67 67 THR HA H 1 4.54 0.11 . 1 . . . . . . . . 5159 1 663 . 1 1 67 67 THR CB C 13 68.9 0.6 . 1 . . . . . . . . 5159 1 664 . 1 1 67 67 THR HB H 1 4.59 0.11 . 1 . . . . . . . . 5159 1 665 . 1 1 67 67 THR CG2 C 13 21.7 0.6 . 1 . . . . . . . . 5159 1 666 . 1 1 67 67 THR HG21 H 1 1.35 0.11 . 1 . . . . . . . . 5159 1 667 . 1 1 67 67 THR HG22 H 1 1.35 0.11 . 1 . . . . . . . . 5159 1 668 . 1 1 67 67 THR HG23 H 1 1.35 0.11 . 1 . . . . . . . . 5159 1 669 . 1 1 67 67 THR C C 13 175.0 0.17 . 1 . . . . . . . . 5159 1 670 . 1 1 68 68 MET N N 15 122.3 0.17 . 1 . . . . . . . . 5159 1 671 . 1 1 68 68 MET H H 1 7.03 0.02 . 1 . . . . . . . . 5159 1 672 . 1 1 68 68 MET CA C 13 57.0 0.4 . 1 . . . . . . . . 5159 1 673 . 1 1 68 68 MET HA H 1 4.59 0.11 . 1 . . . . . . . . 5159 1 674 . 1 1 68 68 MET CB C 13 35.3 0.6 . 1 . . . . . . . . 5159 1 675 . 1 1 68 68 MET HB3 H 1 2.40 0.11 . 2 . . . . . . . . 5159 1 676 . 1 1 68 68 MET HB2 H 1 2.45 0.11 . 2 . . . . . . . . 5159 1 677 . 1 1 68 68 MET CG C 13 31.8 0.6 . 1 . . . . . . . . 5159 1 678 . 1 1 68 68 MET HG3 H 1 2.88 0.11 . 2 . . . . . . . . 5159 1 679 . 1 1 68 68 MET HG2 H 1 3.10 0.11 . 2 . . . . . . . . 5159 1 680 . 1 1 68 68 MET C C 13 174.5 0.17 . 1 . . . . . . . . 5159 1 681 . 1 1 69 69 ASN N N 15 119.6 0.17 . 1 . . . . . . . . 5159 1 682 . 1 1 69 69 ASN H H 1 8.51 0.02 . 1 . . . . . . . . 5159 1 683 . 1 1 69 69 ASN CA C 13 52.4 0.4 . 1 . . . . . . . . 5159 1 684 . 1 1 69 69 ASN HA H 1 5.15 0.11 . 1 . . . . . . . . 5159 1 685 . 1 1 69 69 ASN CB C 13 41.7 0.6 . 1 . . . . . . . . 5159 1 686 . 1 1 69 69 ASN HB3 H 1 2.81 0.11 . 2 . . . . . . . . 5159 1 687 . 1 1 69 69 ASN HB2 H 1 2.95 0.11 . 2 . . . . . . . . 5159 1 688 . 1 1 69 69 ASN ND2 N 15 112.5 0.17 . 1 . . . . . . . . 5159 1 689 . 1 1 69 69 ASN HD21 H 1 7.54 0.11 . 2 . . . . . . . . 5159 1 690 . 1 1 69 69 ASN HD22 H 1 6.96 0.11 . 2 . . . . . . . . 5159 1 691 . 1 1 69 69 ASN C C 13 173.1 0.17 . 1 . . . . . . . . 5159 1 692 . 1 1 70 70 LEU N N 15 120.7 0.17 . 1 . . . . . . . . 5159 1 693 . 1 1 70 70 LEU H H 1 8.53 0.02 . 1 . . . . . . . . 5159 1 694 . 1 1 70 70 LEU CA C 13 54.3 0.4 . 1 . . . . . . . . 5159 1 695 . 1 1 70 70 LEU HA H 1 5.02 0.11 . 1 . . . . . . . . 5159 1 696 . 1 1 70 70 LEU CB C 13 42.1 0.6 . 1 . . . . . . . . 5159 1 697 . 1 1 70 70 LEU HB3 H 1 1.04 0.11 . 2 . . . . . . . . 5159 1 698 . 1 1 70 70 LEU HB2 H 1 1.18 0.11 . 2 . . . . . . . . 5159 1 699 . 1 1 70 70 LEU CG C 13 25.9 0.6 . 1 . . . . . . . . 5159 1 700 . 1 1 70 70 LEU HG H 1 0.96 0.11 . 1 . . . . . . . . 5159 1 701 . 1 1 70 70 LEU CD1 C 13 25.6 0.6 . 2 . . . . . . . . 5159 1 702 . 1 1 70 70 LEU HD11 H 1 -0.16 0.11 . 2 . . . . . . . . 5159 1 703 . 1 1 70 70 LEU HD12 H 1 -0.16 0.11 . 2 . . . . . . . . 5159 1 704 . 1 1 70 70 LEU HD13 H 1 -0.16 0.11 . 2 . . . . . . . . 5159 1 705 . 1 1 70 70 LEU CD2 C 13 22.0 0.6 . 2 . . . . . . . . 5159 1 706 . 1 1 70 70 LEU HD21 H 1 0.00 0.11 . 2 . . . . . . . . 5159 1 707 . 1 1 70 70 LEU HD22 H 1 0.00 0.11 . 2 . . . . . . . . 5159 1 708 . 1 1 70 70 LEU HD23 H 1 0.00 0.11 . 2 . . . . . . . . 5159 1 709 . 1 1 70 70 LEU C C 13 176.8 0.17 . 1 . . . . . . . . 5159 1 710 . 1 1 71 71 LYS N N 15 122.5 0.17 . 1 . . . . . . . . 5159 1 711 . 1 1 71 71 LYS H H 1 9.32 0.02 . 1 . . . . . . . . 5159 1 712 . 1 1 71 71 LYS CA C 13 53.2 0.4 . 1 . . . . . . . . 5159 1 713 . 1 1 71 71 LYS HA H 1 5.31 0.11 . 1 . . . . . . . . 5159 1 714 . 1 1 71 71 LYS CB C 13 34.8 0.6 . 1 . . . . . . . . 5159 1 715 . 1 1 71 71 LYS HB3 H 1 1.90 0.11 . 2 . . . . . . . . 5159 1 716 . 1 1 71 71 LYS HB2 H 1 2.17 0.11 . 2 . . . . . . . . 5159 1 717 . 1 1 72 72 PRO CA C 13 63.2 0.4 . 1 . . . . . . . . 5159 1 718 . 1 1 72 72 PRO HA H 1 4.62 0.11 . 1 . . . . . . . . 5159 1 719 . 1 1 72 72 PRO CB C 13 31.7 0.6 . 1 . . . . . . . . 5159 1 720 . 1 1 72 72 PRO HB3 H 1 1.94 0.11 . 2 . . . . . . . . 5159 1 721 . 1 1 72 72 PRO HB2 H 1 2.35 0.11 . 2 . . . . . . . . 5159 1 722 . 1 1 72 72 PRO CG C 13 27.4 0.6 . 1 . . . . . . . . 5159 1 723 . 1 1 72 72 PRO HG3 H 1 2.30 0.11 . 1 . . . . . . . . 5159 1 724 . 1 1 72 72 PRO HG2 H 1 2.30 0.11 . 1 . . . . . . . . 5159 1 725 . 1 1 72 72 PRO CD C 13 50.4 0.6 . 1 . . . . . . . . 5159 1 726 . 1 1 72 72 PRO HD3 H 1 3.96 0.11 . 2 . . . . . . . . 5159 1 727 . 1 1 72 72 PRO HD2 H 1 4.26 0.11 . 2 . . . . . . . . 5159 1 728 . 1 1 72 72 PRO C C 13 176.4 0.17 . 1 . . . . . . . . 5159 1 729 . 1 1 73 73 LEU N N 15 123.2 0.17 . 1 . . . . . . . . 5159 1 730 . 1 1 73 73 LEU H H 1 7.64 0.02 . 1 . . . . . . . . 5159 1 731 . 1 1 73 73 LEU CA C 13 53.9 0.4 . 1 . . . . . . . . 5159 1 732 . 1 1 73 73 LEU HA H 1 4.33 0.11 . 1 . . . . . . . . 5159 1 733 . 1 1 73 73 LEU CB C 13 43.4 0.6 . 1 . . . . . . . . 5159 1 734 . 1 1 73 73 LEU HB3 H 1 0.70 0.11 . 2 . . . . . . . . 5159 1 735 . 1 1 73 73 LEU HB2 H 1 1.52 0.11 . 2 . . . . . . . . 5159 1 736 . 1 1 73 73 LEU CG C 13 26.5 0.6 . 1 . . . . . . . . 5159 1 737 . 1 1 73 73 LEU HG H 1 1.20 0.11 . 1 . . . . . . . . 5159 1 738 . 1 1 73 73 LEU CD1 C 13 24.4 0.6 . 2 . . . . . . . . 5159 1 739 . 1 1 73 73 LEU HD11 H 1 0.09 0.11 . 2 . . . . . . . . 5159 1 740 . 1 1 73 73 LEU HD12 H 1 0.09 0.11 . 2 . . . . . . . . 5159 1 741 . 1 1 73 73 LEU HD13 H 1 0.09 0.11 . 2 . . . . . . . . 5159 1 742 . 1 1 73 73 LEU CD2 C 13 22.9 0.6 . 2 . . . . . . . . 5159 1 743 . 1 1 73 73 LEU HD21 H 1 -0.01 0.11 . 2 . . . . . . . . 5159 1 744 . 1 1 73 73 LEU HD22 H 1 -0.01 0.11 . 2 . . . . . . . . 5159 1 745 . 1 1 73 73 LEU HD23 H 1 -0.01 0.11 . 2 . . . . . . . . 5159 1 746 . 1 1 74 74 SER N N 15 121.1 0.17 . 1 . . . . . . . . 5159 1 747 . 1 1 74 74 SER H H 1 8.49 0.02 . 1 . . . . . . . . 5159 1 748 . 1 1 74 74 SER CA C 13 59.7 0.4 . 1 . . . . . . . . 5159 1 749 . 1 1 74 74 SER HA H 1 4.17 0.11 . 1 . . . . . . . . 5159 1 750 . 1 1 74 74 SER CB C 13 62.5 0.6 . 1 . . . . . . . . 5159 1 751 . 1 1 74 74 SER HB3 H 1 3.87 0.11 . 2 . . . . . . . . 5159 1 752 . 1 1 74 74 SER HB2 H 1 3.94 0.11 . 2 . . . . . . . . 5159 1 753 . 1 1 74 74 SER C C 13 175.5 0.17 . 1 . . . . . . . . 5159 1 754 . 1 1 75 75 GLY N N 15 111.0 0.17 . 1 . . . . . . . . 5159 1 755 . 1 1 75 75 GLY H H 1 8.66 0.02 . 1 . . . . . . . . 5159 1 756 . 1 1 75 75 GLY CA C 13 45.3 0.4 . 1 . . . . . . . . 5159 1 757 . 1 1 75 75 GLY HA2 H 1 4.17 0.11 . 2 . . . . . . . . 5159 1 758 . 1 1 75 75 GLY HA3 H 1 3.80 0.11 . 2 . . . . . . . . 5159 1 759 . 1 1 75 75 GLY C C 13 173.7 0.17 . 1 . . . . . . . . 5159 1 760 . 1 1 76 76 SER N N 15 111.9 0.17 . 1 . . . . . . . . 5159 1 761 . 1 1 76 76 SER H H 1 7.78 0.02 . 1 . . . . . . . . 5159 1 762 . 1 1 76 76 SER CA C 13 57.1 0.4 . 1 . . . . . . . . 5159 1 763 . 1 1 76 76 SER HA H 1 4.73 0.11 . 1 . . . . . . . . 5159 1 764 . 1 1 76 76 SER CB C 13 64.9 0.6 . 1 . . . . . . . . 5159 1 765 . 1 1 76 76 SER HB3 H 1 3.48 0.11 . 2 . . . . . . . . 5159 1 766 . 1 1 76 76 SER HB2 H 1 3.69 0.11 . 2 . . . . . . . . 5159 1 767 . 1 1 76 76 SER C C 13 174.1 0.17 . 1 . . . . . . . . 5159 1 768 . 1 1 77 77 ASP N N 15 124.8 0.17 . 1 . . . . . . . . 5159 1 769 . 1 1 77 77 ASP H H 1 8.28 0.02 . 1 . . . . . . . . 5159 1 770 . 1 1 77 77 ASP CA C 13 52.8 0.4 . 1 . . . . . . . . 5159 1 771 . 1 1 77 77 ASP HA H 1 4.72 0.11 . 1 . . . . . . . . 5159 1 772 . 1 1 77 77 ASP CB C 13 40.6 0.6 . 1 . . . . . . . . 5159 1 773 . 1 1 77 77 ASP HB3 H 1 2.72 0.11 . 2 . . . . . . . . 5159 1 774 . 1 1 77 77 ASP HB2 H 1 3.10 0.11 . 2 . . . . . . . . 5159 1 775 . 1 1 77 77 ASP C C 13 176.2 0.17 . 1 . . . . . . . . 5159 1 776 . 1 1 78 78 ARG N N 15 114.7 0.17 . 1 . . . . . . . . 5159 1 777 . 1 1 78 78 ARG H H 1 8.38 0.02 . 1 . . . . . . . . 5159 1 778 . 1 1 78 78 ARG CA C 13 53.9 0.4 . 1 . . . . . . . . 5159 1 779 . 1 1 78 78 ARG HA H 1 4.53 0.11 . 1 . . . . . . . . 5159 1 780 . 1 1 78 78 ARG CB C 13 28.7 0.6 . 1 . . . . . . . . 5159 1 781 . 1 1 78 78 ARG HB3 H 1 1.21 0.11 . 2 . . . . . . . . 5159 1 782 . 1 1 78 78 ARG HB2 H 1 1.74 0.11 . 2 . . . . . . . . 5159 1 783 . 1 1 78 78 ARG C C 13 172.5 0.17 . 1 . . . . . . . . 5159 1 784 . 1 1 79 79 ALA N N 15 118.7 0.17 . 1 . . . . . . . . 5159 1 785 . 1 1 79 79 ALA H H 1 7.08 0.02 . 1 . . . . . . . . 5159 1 786 . 1 1 79 79 ALA CA C 13 51.3 0.4 . 1 . . . . . . . . 5159 1 787 . 1 1 79 79 ALA HA H 1 5.79 0.11 . 1 . . . . . . . . 5159 1 788 . 1 1 79 79 ALA CB C 13 24.4 0.6 . 1 . . . . . . . . 5159 1 789 . 1 1 79 79 ALA HB1 H 1 1.19 0.11 . 1 . . . . . . . . 5159 1 790 . 1 1 79 79 ALA HB2 H 1 1.19 0.11 . 1 . . . . . . . . 5159 1 791 . 1 1 79 79 ALA HB3 H 1 1.19 0.11 . 1 . . . . . . . . 5159 1 792 . 1 1 79 79 ALA C C 13 176.4 0.17 . 1 . . . . . . . . 5159 1 793 . 1 1 80 80 TRP N N 15 117.7 0.17 . 1 . . . . . . . . 5159 1 794 . 1 1 80 80 TRP H H 1 8.27 0.02 . 1 . . . . . . . . 5159 1 795 . 1 1 80 80 TRP CA C 13 54.5 0.4 . 1 . . . . . . . . 5159 1 796 . 1 1 80 80 TRP HA H 1 5.68 0.11 . 1 . . . . . . . . 5159 1 797 . 1 1 80 80 TRP CB C 13 36.5 0.6 . 1 . . . . . . . . 5159 1 798 . 1 1 80 80 TRP HB3 H 1 3.17 0.11 . 2 . . . . . . . . 5159 1 799 . 1 1 80 80 TRP HB2 H 1 3.69 0.11 . 2 . . . . . . . . 5159 1 800 . 1 1 80 80 TRP C C 13 174.0 0.17 . 1 . . . . . . . . 5159 1 801 . 1 1 81 81 MET N N 15 117.8 0.17 . 1 . . . . . . . . 5159 1 802 . 1 1 81 81 MET H H 1 10.21 0.02 . 1 . . . . . . . . 5159 1 803 . 1 1 81 81 MET CA C 13 53.9 0.4 . 1 . . . . . . . . 5159 1 804 . 1 1 81 81 MET HA H 1 6.17 0.11 . 1 . . . . . . . . 5159 1 805 . 1 1 81 81 MET CB C 13 37.3 0.6 . 1 . . . . . . . . 5159 1 806 . 1 1 81 81 MET HB3 H 1 1.86 0.11 . 2 . . . . . . . . 5159 1 807 . 1 1 81 81 MET HB2 H 1 2.44 0.11 . 2 . . . . . . . . 5159 1 808 . 1 1 81 81 MET CG C 13 31.4 0.6 . 1 . . . . . . . . 5159 1 809 . 1 1 81 81 MET HG3 H 1 2.70 0.11 . 2 . . . . . . . . 5159 1 810 . 1 1 81 81 MET HG2 H 1 2.78 0.11 . 2 . . . . . . . . 5159 1 811 . 1 1 81 81 MET C C 13 174.8 0.17 . 1 . . . . . . . . 5159 1 812 . 1 1 82 82 TRP N N 15 119.4 0.17 . 1 . . . . . . . . 5159 1 813 . 1 1 82 82 TRP H H 1 9.36 0.02 . 1 . . . . . . . . 5159 1 814 . 1 1 82 82 TRP CA C 13 57.8 0.4 . 1 . . . . . . . . 5159 1 815 . 1 1 82 82 TRP HA H 1 5.27 0.11 . 1 . . . . . . . . 5159 1 816 . 1 1 82 82 TRP CB C 13 32.2 0.6 . 1 . . . . . . . . 5159 1 817 . 1 1 82 82 TRP HB3 H 1 3.18 0.11 . 2 . . . . . . . . 5159 1 818 . 1 1 82 82 TRP HB2 H 1 3.82 0.11 . 2 . . . . . . . . 5159 1 819 . 1 1 82 82 TRP C C 13 177.5 0.17 . 1 . . . . . . . . 5159 1 820 . 1 1 83 83 LEU N N 15 119.9 0.17 . 1 . . . . . . . . 5159 1 821 . 1 1 83 83 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 5159 1 822 . 1 1 83 83 LEU CA C 13 53.7 0.4 . 1 . . . . . . . . 5159 1 823 . 1 1 83 83 LEU HA H 1 5.34 0.11 . 1 . . . . . . . . 5159 1 824 . 1 1 83 83 LEU CB C 13 44.5 0.6 . 1 . . . . . . . . 5159 1 825 . 1 1 83 83 LEU HB3 H 1 1.72 0.11 . 2 . . . . . . . . 5159 1 826 . 1 1 83 83 LEU HB2 H 1 1.76 0.11 . 2 . . . . . . . . 5159 1 827 . 1 1 83 83 LEU CG C 13 27.7 0.6 . 1 . . . . . . . . 5159 1 828 . 1 1 83 83 LEU HG H 1 1.71 0.11 . 1 . . . . . . . . 5159 1 829 . 1 1 83 83 LEU CD1 C 13 24.5 0.6 . 1 . . . . . . . . 5159 1 830 . 1 1 83 83 LEU HD11 H 1 1.02 0.11 . 1 . . . . . . . . 5159 1 831 . 1 1 83 83 LEU HD12 H 1 1.02 0.11 . 1 . . . . . . . . 5159 1 832 . 1 1 83 83 LEU HD13 H 1 1.02 0.11 . 1 . . . . . . . . 5159 1 833 . 1 1 83 83 LEU C C 13 176.7 0.17 . 1 . . . . . . . . 5159 1 834 . 1 1 84 84 ALA N N 15 124.2 0.17 . 1 . . . . . . . . 5159 1 835 . 1 1 84 84 ALA H H 1 9.00 0.02 . 1 . . . . . . . . 5159 1 836 . 1 1 84 84 ALA CA C 13 50.8 0.4 . 1 . . . . . . . . 5159 1 837 . 1 1 84 84 ALA HA H 1 4.71 0.11 . 1 . . . . . . . . 5159 1 838 . 1 1 84 84 ALA CB C 13 22.6 0.6 . 1 . . . . . . . . 5159 1 839 . 1 1 84 84 ALA HB1 H 1 0.77 0.11 . 1 . . . . . . . . 5159 1 840 . 1 1 84 84 ALA HB2 H 1 0.77 0.11 . 1 . . . . . . . . 5159 1 841 . 1 1 84 84 ALA HB3 H 1 0.77 0.11 . 1 . . . . . . . . 5159 1 842 . 1 1 84 84 ALA C C 13 175.6 0.17 . 1 . . . . . . . . 5159 1 843 . 1 1 85 85 SER N N 15 115.2 0.17 . 1 . . . . . . . . 5159 1 844 . 1 1 85 85 SER H H 1 8.08 0.02 . 1 . . . . . . . . 5159 1 845 . 1 1 85 85 SER CA C 13 56.9 0.4 . 1 . . . . . . . . 5159 1 846 . 1 1 85 85 SER HA H 1 4.83 0.11 . 1 . . . . . . . . 5159 1 847 . 1 1 85 85 SER CB C 13 61.3 0.6 . 1 . . . . . . . . 5159 1 848 . 1 1 85 85 SER HB3 H 1 3.88 0.11 . 2 . . . . . . . . 5159 1 849 . 1 1 85 85 SER HB2 H 1 4.02 0.11 . 2 . . . . . . . . 5159 1 850 . 1 1 85 85 SER C C 13 172.7 0.17 . 1 . . . . . . . . 5159 1 851 . 1 1 86 86 ASP N N 15 126.8 0.17 . 1 . . . . . . . . 5159 1 852 . 1 1 86 86 ASP H H 1 8.89 0.02 . 1 . . . . . . . . 5159 1 853 . 1 1 86 86 ASP CA C 13 55.1 0.4 . 1 . . . . . . . . 5159 1 854 . 1 1 86 86 ASP HA H 1 5.06 0.11 . 1 . . . . . . . . 5159 1 855 . 1 1 86 86 ASP CB C 13 46.0 0.6 . 1 . . . . . . . . 5159 1 856 . 1 1 86 86 ASP HB3 H 1 2.36 0.11 . 2 . . . . . . . . 5159 1 857 . 1 1 86 86 ASP HB2 H 1 2.98 0.11 . 2 . . . . . . . . 5159 1 858 . 1 1 86 86 ASP C C 13 176.2 0.17 . 1 . . . . . . . . 5159 1 859 . 1 1 87 87 PHE N N 15 121.5 0.17 . 1 . . . . . . . . 5159 1 860 . 1 1 87 87 PHE H H 1 8.88 0.02 . 1 . . . . . . . . 5159 1 861 . 1 1 87 87 PHE CA C 13 56.4 0.4 . 1 . . . . . . . . 5159 1 862 . 1 1 87 87 PHE HA H 1 5.29 0.11 . 1 . . . . . . . . 5159 1 863 . 1 1 87 87 PHE CB C 13 38.4 0.6 . 1 . . . . . . . . 5159 1 864 . 1 1 87 87 PHE HB3 H 1 2.94 0.11 . 2 . . . . . . . . 5159 1 865 . 1 1 87 87 PHE HB2 H 1 3.50 0.11 . 2 . . . . . . . . 5159 1 866 . 1 1 87 87 PHE C C 13 177.3 0.17 . 1 . . . . . . . . 5159 1 867 . 1 1 88 88 SER N N 15 118.2 0.17 . 1 . . . . . . . . 5159 1 868 . 1 1 88 88 SER H H 1 8.69 0.02 . 1 . . . . . . . . 5159 1 869 . 1 1 88 88 SER CA C 13 63.4 0.4 . 1 . . . . . . . . 5159 1 870 . 1 1 88 88 SER HA H 1 4.09 0.11 . 1 . . . . . . . . 5159 1 871 . 1 1 88 88 SER CB C 13 62.9 0.6 . 1 . . . . . . . . 5159 1 872 . 1 1 88 88 SER HB3 H 1 3.70 0.11 . 1 . . . . . . . . 5159 1 873 . 1 1 88 88 SER HB2 H 1 3.70 0.11 . 1 . . . . . . . . 5159 1 874 . 1 1 88 88 SER C C 13 175 0.17 . 1 . . . . . . . . 5159 1 875 . 1 1 89 89 ASP N N 15 118.1 0.17 . 1 . . . . . . . . 5159 1 876 . 1 1 89 89 ASP H H 1 8.53 0.02 . 1 . . . . . . . . 5159 1 877 . 1 1 89 89 ASP CA C 13 53.8 0.4 . 1 . . . . . . . . 5159 1 878 . 1 1 89 89 ASP HA H 1 5.06 0.11 . 1 . . . . . . . . 5159 1 879 . 1 1 89 89 ASP CB C 13 41.6 0.6 . 1 . . . . . . . . 5159 1 880 . 1 1 89 89 ASP HB3 H 1 2.75 0.11 . 2 . . . . . . . . 5159 1 881 . 1 1 89 89 ASP HB2 H 1 2.99 0.11 . 2 . . . . . . . . 5159 1 882 . 1 1 89 89 ASP C C 13 176.0 0.17 . 1 . . . . . . . . 5159 1 883 . 1 1 90 90 GLY N N 15 108.4 0.17 . 1 . . . . . . . . 5159 1 884 . 1 1 90 90 GLY H H 1 7.76 0.02 . 1 . . . . . . . . 5159 1 885 . 1 1 90 90 GLY CA C 13 45.8 0.4 . 1 . . . . . . . . 5159 1 886 . 1 1 90 90 GLY HA2 H 1 4.54 0.11 . 2 . . . . . . . . 5159 1 887 . 1 1 90 90 GLY HA3 H 1 3.73 0.11 . 2 . . . . . . . . 5159 1 888 . 1 1 90 90 GLY C C 13 173.0 0.17 . 1 . . . . . . . . 5159 1 889 . 1 1 91 91 ASP N N 15 121.0 0.17 . 1 . . . . . . . . 5159 1 890 . 1 1 91 91 ASP H H 1 8.07 0.02 . 1 . . . . . . . . 5159 1 891 . 1 1 91 91 ASP CA C 13 53.8 0.4 . 1 . . . . . . . . 5159 1 892 . 1 1 91 91 ASP HA H 1 4.77 0.11 . 1 . . . . . . . . 5159 1 893 . 1 1 91 91 ASP CB C 13 41.9 0.6 . 1 . . . . . . . . 5159 1 894 . 1 1 91 91 ASP HB3 H 1 2.64 0.11 . 2 . . . . . . . . 5159 1 895 . 1 1 91 91 ASP HB2 H 1 2.79 0.11 . 2 . . . . . . . . 5159 1 896 . 1 1 91 91 ASP C C 13 175.3 0.17 . 1 . . . . . . . . 5159 1 897 . 1 1 92 92 ALA N N 15 122.7 0.17 . 1 . . . . . . . . 5159 1 898 . 1 1 92 92 ALA H H 1 8.39 0.02 . 1 . . . . . . . . 5159 1 899 . 1 1 92 92 ALA CA C 13 52.7 0.4 . 1 . . . . . . . . 5159 1 900 . 1 1 92 92 ALA HA H 1 4.38 0.11 . 1 . . . . . . . . 5159 1 901 . 1 1 92 92 ALA CB C 13 18.8 0.6 . 1 . . . . . . . . 5159 1 902 . 1 1 92 92 ALA HB1 H 1 1.38 0.11 . 1 . . . . . . . . 5159 1 903 . 1 1 92 92 ALA HB2 H 1 1.38 0.11 . 1 . . . . . . . . 5159 1 904 . 1 1 92 92 ALA HB3 H 1 1.38 0.11 . 1 . . . . . . . . 5159 1 905 . 1 1 92 92 ALA C C 13 177.6 0.17 . 1 . . . . . . . . 5159 1 906 . 1 1 93 93 LYS N N 15 122.1 0.17 . 1 . . . . . . . . 5159 1 907 . 1 1 93 93 LYS H H 1 8.55 0.02 . 1 . . . . . . . . 5159 1 908 . 1 1 93 93 LYS CA C 13 55.0 0.4 . 1 . . . . . . . . 5159 1 909 . 1 1 93 93 LYS HA H 1 4.70 0.11 . 1 . . . . . . . . 5159 1 910 . 1 1 93 93 LYS CB C 13 35.6 0.6 . 1 . . . . . . . . 5159 1 911 . 1 1 93 93 LYS HB3 H 1 1.92 0.11 . 1 . . . . . . . . 5159 1 912 . 1 1 93 93 LYS HB2 H 1 1.92 0.11 . 1 . . . . . . . . 5159 1 913 . 1 1 93 93 LYS C C 13 174.9 0.17 . 1 . . . . . . . . 5159 1 914 . 1 1 94 94 LEU N N 15 124.3 0.17 . 1 . . . . . . . . 5159 1 915 . 1 1 94 94 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 5159 1 916 . 1 1 94 94 LEU CA C 13 55.6 0.4 . 1 . . . . . . . . 5159 1 917 . 1 1 94 94 LEU HA H 1 4.87 0.11 . 1 . . . . . . . . 5159 1 918 . 1 1 94 94 LEU CB C 13 41.7 0.6 . 1 . . . . . . . . 5159 1 919 . 1 1 94 94 LEU HB3 H 1 1.70 0.11 . 2 . . . . . . . . 5159 1 920 . 1 1 94 94 LEU HB2 H 1 1.78 0.11 . 2 . . . . . . . . 5159 1 921 . 1 1 94 94 LEU C C 13 176.7 0.17 . 1 . . . . . . . . 5159 1 922 . 1 1 95 95 GLU N N 15 125.8 0.17 . 1 . . . . . . . . 5159 1 923 . 1 1 95 95 GLU H H 1 9.28 0.02 . 1 . . . . . . . . 5159 1 924 . 1 1 95 95 GLU CA C 13 54.4 0.4 . 1 . . . . . . . . 5159 1 925 . 1 1 95 95 GLU HA H 1 4.97 0.11 . 1 . . . . . . . . 5159 1 926 . 1 1 95 95 GLU CB C 13 33.7 0.6 . 1 . . . . . . . . 5159 1 927 . 1 1 95 95 GLU HB3 H 1 1.74 0.11 . 2 . . . . . . . . 5159 1 928 . 1 1 95 95 GLU HB2 H 1 2.07 0.11 . 2 . . . . . . . . 5159 1 929 . 1 1 95 95 GLU CG C 13 34.9 0.6 . 1 . . . . . . . . 5159 1 930 . 1 1 95 95 GLU HG3 H 1 2.42 0.11 . 1 . . . . . . . . 5159 1 931 . 1 1 95 95 GLU HG2 H 1 2.42 0.11 . 1 . . . . . . . . 5159 1 932 . 1 1 95 95 GLU C C 13 174.3 0.17 . 1 . . . . . . . . 5159 1 933 . 1 1 96 96 GLN N N 15 121.1 0.17 . 1 . . . . . . . . 5159 1 934 . 1 1 96 96 GLN H H 1 9.05 0.02 . 1 . . . . . . . . 5159 1 935 . 1 1 96 96 GLN CA C 13 55.1 0.4 . 1 . . . . . . . . 5159 1 936 . 1 1 96 96 GLN HA H 1 5.06 0.11 . 1 . . . . . . . . 5159 1 937 . 1 1 96 96 GLN CB C 13 30.4 0.6 . 1 . . . . . . . . 5159 1 938 . 1 1 96 96 GLN HB3 H 1 1.91 0.11 . 2 . . . . . . . . 5159 1 939 . 1 1 96 96 GLN HB2 H 1 2.11 0.11 . 2 . . . . . . . . 5159 1 940 . 1 1 96 96 GLN CG C 13 34.4 0.6 . 1 . . . . . . . . 5159 1 941 . 1 1 96 96 GLN HG3 H 1 2.21 0.11 . 2 . . . . . . . . 5159 1 942 . 1 1 96 96 GLN HG2 H 1 2.36 0.11 . 2 . . . . . . . . 5159 1 943 . 1 1 96 96 GLN NE2 N 15 119.4 0.17 . 1 . . . . . . . . 5159 1 944 . 1 1 96 96 GLN HE21 H 1 6.81 0.11 . 2 . . . . . . . . 5159 1 945 . 1 1 96 96 GLN HE22 H 1 6.48 0.11 . 2 . . . . . . . . 5159 1 946 . 1 1 96 96 GLN C C 13 173.8 0.17 . 1 . . . . . . . . 5159 1 947 . 1 1 97 97 LEU N N 15 125.4 0.17 . 1 . . . . . . . . 5159 1 948 . 1 1 97 97 LEU H H 1 8.63 0.02 . 1 . . . . . . . . 5159 1 949 . 1 1 97 97 LEU CA C 13 52.9 0.4 . 1 . . . . . . . . 5159 1 950 . 1 1 97 97 LEU HA H 1 5.46 0.11 . 1 . . . . . . . . 5159 1 951 . 1 1 97 97 LEU CB C 13 45.5 0.6 . 1 . . . . . . . . 5159 1 952 . 1 1 97 97 LEU HB3 H 1 0.40 0.11 . 2 . . . . . . . . 5159 1 953 . 1 1 97 97 LEU HB2 H 1 0.83 0.11 . 2 . . . . . . . . 5159 1 954 . 1 1 97 97 LEU C C 13 174.9 0.17 . 1 . . . . . . . . 5159 1 955 . 1 1 98 98 ALA N N 15 115.3 0.17 . 1 . . . . . . . . 5159 1 956 . 1 1 98 98 ALA H H 1 8.35 0.02 . 1 . . . . . . . . 5159 1 957 . 1 1 98 98 ALA CA C 13 51.0 0.4 . 1 . . . . . . . . 5159 1 958 . 1 1 98 98 ALA HA H 1 5.41 0.11 . 1 . . . . . . . . 5159 1 959 . 1 1 98 98 ALA CB C 13 24.0 0.6 . 1 . . . . . . . . 5159 1 960 . 1 1 98 98 ALA HB1 H 1 0.69 0.11 . 1 . . . . . . . . 5159 1 961 . 1 1 98 98 ALA HB2 H 1 0.69 0.11 . 1 . . . . . . . . 5159 1 962 . 1 1 98 98 ALA HB3 H 1 0.69 0.11 . 1 . . . . . . . . 5159 1 963 . 1 1 98 98 ALA C C 13 175.4 0.17 . 1 . . . . . . . . 5159 1 964 . 1 1 99 99 ALA N N 15 120.9 0.17 . 1 . . . . . . . . 5159 1 965 . 1 1 99 99 ALA H H 1 8.95 0.02 . 1 . . . . . . . . 5159 1 966 . 1 1 99 99 ALA CA C 13 49.9 0.4 . 1 . . . . . . . . 5159 1 967 . 1 1 99 99 ALA HA H 1 5.48 0.11 . 1 . . . . . . . . 5159 1 968 . 1 1 99 99 ALA CB C 13 22.1 0.6 . 1 . . . . . . . . 5159 1 969 . 1 1 99 99 ALA HB1 H 1 1.28 0.11 . 1 . . . . . . . . 5159 1 970 . 1 1 99 99 ALA HB2 H 1 1.28 0.11 . 1 . . . . . . . . 5159 1 971 . 1 1 99 99 ALA HB3 H 1 1.28 0.11 . 1 . . . . . . . . 5159 1 972 . 1 1 99 99 ALA C C 13 174.4 0.17 . 1 . . . . . . . . 5159 1 973 . 1 1 100 100 LYS N N 15 120.4 0.17 . 1 . . . . . . . . 5159 1 974 . 1 1 100 100 LYS H H 1 9.12 0.02 . 1 . . . . . . . . 5159 1 975 . 1 1 100 100 LYS CA C 13 55.1 0.4 . 1 . . . . . . . . 5159 1 976 . 1 1 100 100 LYS HA H 1 5.05 0.11 . 1 . . . . . . . . 5159 1 977 . 1 1 100 100 LYS CB C 13 36.6 0.6 . 1 . . . . . . . . 5159 1 978 . 1 1 100 100 LYS HB3 H 1 1.66 0.11 . 2 . . . . . . . . 5159 1 979 . 1 1 100 100 LYS HB2 H 1 2.05 0.11 . 2 . . . . . . . . 5159 1 980 . 1 1 100 100 LYS C C 13 175.5 0.17 . 1 . . . . . . . . 5159 1 981 . 1 1 101 101 PHE N N 15 124.9 0.17 . 1 . . . . . . . . 5159 1 982 . 1 1 101 101 PHE H H 1 9.05 0.02 . 1 . . . . . . . . 5159 1 983 . 1 1 101 101 PHE CA C 13 57.2 0.4 . 1 . . . . . . . . 5159 1 984 . 1 1 101 101 PHE HA H 1 4.70 0.11 . 1 . . . . . . . . 5159 1 985 . 1 1 101 101 PHE CB C 13 42.7 0.6 . 1 . . . . . . . . 5159 1 986 . 1 1 101 101 PHE HB3 H 1 3.01 0.11 . 2 . . . . . . . . 5159 1 987 . 1 1 101 101 PHE HB2 H 1 3.32 0.11 . 2 . . . . . . . . 5159 1 988 . 1 1 101 101 PHE C C 13 176.8 0.17 . 1 . . . . . . . . 5159 1 989 . 1 1 102 102 LYS N N 15 117.9 0.17 . 1 . . . . . . . . 5159 1 990 . 1 1 102 102 LYS H H 1 9.25 0.02 . 1 . . . . . . . . 5159 1 991 . 1 1 102 102 LYS CA C 13 59.5 0.4 . 1 . . . . . . . . 5159 1 992 . 1 1 102 102 LYS HA H 1 4.18 0.11 . 1 . . . . . . . . 5159 1 993 . 1 1 102 102 LYS CB C 13 33.7 0.6 . 1 . . . . . . . . 5159 1 994 . 1 1 102 102 LYS HB3 H 1 2.07 0.11 . 2 . . . . . . . . 5159 1 995 . 1 1 102 102 LYS HB2 H 1 2.19 0.11 . 2 . . . . . . . . 5159 1 996 . 1 1 102 102 LYS CG C 13 25.0 0.6 . 1 . . . . . . . . 5159 1 997 . 1 1 102 102 LYS HG3 H 1 1.72 0.11 . 2 . . . . . . . . 5159 1 998 . 1 1 102 102 LYS HG2 H 1 1.81 0.11 . 2 . . . . . . . . 5159 1 999 . 1 1 102 102 LYS CD C 13 28.8 0.6 . 1 . . . . . . . . 5159 1 1000 . 1 1 102 102 LYS HD3 H 1 1.93 0.11 . 1 . . . . . . . . 5159 1 1001 . 1 1 102 102 LYS HD2 H 1 1.93 0.11 . 1 . . . . . . . . 5159 1 1002 . 1 1 102 102 LYS CE C 13 41.7 0.6 . 1 . . . . . . . . 5159 1 1003 . 1 1 102 102 LYS HE3 H 1 3.17 0.11 . 1 . . . . . . . . 5159 1 1004 . 1 1 102 102 LYS HE2 H 1 3.17 0.11 . 1 . . . . . . . . 5159 1 1005 . 1 1 102 102 LYS C C 13 177.2 0.17 . 1 . . . . . . . . 5159 1 1006 . 1 1 103 103 THR N N 15 100.8 0.17 . 1 . . . . . . . . 5159 1 1007 . 1 1 103 103 THR H H 1 7.21 0.02 . 1 . . . . . . . . 5159 1 1008 . 1 1 103 103 THR CA C 13 57.4 0.4 . 1 . . . . . . . . 5159 1 1009 . 1 1 103 103 THR HA H 1 5.16 0.11 . 1 . . . . . . . . 5159 1 1010 . 1 1 103 103 THR CB C 13 70.3 0.6 . 1 . . . . . . . . 5159 1 1011 . 1 1 103 103 THR HB H 1 4.92 0.11 . 1 . . . . . . . . 5159 1 1012 . 1 1 103 103 THR CG2 C 13 21.9 0.6 . 1 . . . . . . . . 5159 1 1013 . 1 1 103 103 THR HG21 H 1 1.41 0.11 . 1 . . . . . . . . 5159 1 1014 . 1 1 103 103 THR HG22 H 1 1.41 0.11 . 1 . . . . . . . . 5159 1 1015 . 1 1 103 103 THR HG23 H 1 1.41 0.11 . 1 . . . . . . . . 5159 1 1016 . 1 1 104 104 PRO CA C 13 65.1 0.4 . 1 . . . . . . . . 5159 1 1017 . 1 1 104 104 PRO HA H 1 4.42 0.11 . 1 . . . . . . . . 5159 1 1018 . 1 1 104 104 PRO CB C 13 32.3 0.6 . 1 . . . . . . . . 5159 1 1019 . 1 1 104 104 PRO HB3 H 1 2.10 0.11 . 2 . . . . . . . . 5159 1 1020 . 1 1 104 104 PRO HB2 H 1 2.66 0.11 . 2 . . . . . . . . 5159 1 1021 . 1 1 104 104 PRO HG3 H 1 1.78 0.11 . 1 . . . . . . . . 5159 1 1022 . 1 1 104 104 PRO HG2 H 1 1.78 0.11 . 1 . . . . . . . . 5159 1 1023 . 1 1 104 104 PRO C C 13 178.8 0.17 . 1 . . . . . . . . 5159 1 1024 . 1 1 105 105 GLU N N 15 117.2 0.17 . 1 . . . . . . . . 5159 1 1025 . 1 1 105 105 GLU H H 1 9.02 0.02 . 1 . . . . . . . . 5159 1 1026 . 1 1 105 105 GLU CA C 13 61.0 0.4 . 1 . . . . . . . . 5159 1 1027 . 1 1 105 105 GLU HA H 1 4.18 0.11 . 1 . . . . . . . . 5159 1 1028 . 1 1 105 105 GLU CB C 13 28.7 0.6 . 1 . . . . . . . . 5159 1 1029 . 1 1 105 105 GLU HB3 H 1 2.08 0.11 . 2 . . . . . . . . 5159 1 1030 . 1 1 105 105 GLU HB2 H 1 2.28 0.11 . 2 . . . . . . . . 5159 1 1031 . 1 1 105 105 GLU CG C 13 37.3 0.6 . 1 . . . . . . . . 5159 1 1032 . 1 1 105 105 GLU HG3 H 1 2.43 0.11 . 2 . . . . . . . . 5159 1 1033 . 1 1 105 105 GLU HG2 H 1 2.64 0.11 . 2 . . . . . . . . 5159 1 1034 . 1 1 105 105 GLU C C 13 180.2 0.17 . 1 . . . . . . . . 5159 1 1035 . 1 1 106 106 LEU N N 15 120.5 0.17 . 1 . . . . . . . . 5159 1 1036 . 1 1 106 106 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 5159 1 1037 . 1 1 106 106 LEU CA C 13 57.6 0.4 . 1 . . . . . . . . 5159 1 1038 . 1 1 106 106 LEU HA H 1 4.37 0.11 . 1 . . . . . . . . 5159 1 1039 . 1 1 106 106 LEU CB C 13 41.9 0.6 . 1 . . . . . . . . 5159 1 1040 . 1 1 106 106 LEU HB3 H 1 1.92 0.11 . 1 . . . . . . . . 5159 1 1041 . 1 1 106 106 LEU HB2 H 1 1.92 0.11 . 1 . . . . . . . . 5159 1 1042 . 1 1 106 106 LEU C C 13 179.9 0.17 . 1 . . . . . . . . 5159 1 1043 . 1 1 107 107 ALA N N 15 122.7 0.17 . 1 . . . . . . . . 5159 1 1044 . 1 1 107 107 ALA H H 1 7.68 0.02 . 1 . . . . . . . . 5159 1 1045 . 1 1 107 107 ALA CA C 13 54.9 0.4 . 1 . . . . . . . . 5159 1 1046 . 1 1 107 107 ALA HA H 1 2.95 0.11 . 1 . . . . . . . . 5159 1 1047 . 1 1 107 107 ALA CB C 13 17.1 0.6 . 1 . . . . . . . . 5159 1 1048 . 1 1 107 107 ALA HB1 H 1 1.39 0.11 . 1 . . . . . . . . 5159 1 1049 . 1 1 107 107 ALA HB2 H 1 1.39 0.11 . 1 . . . . . . . . 5159 1 1050 . 1 1 107 107 ALA HB3 H 1 1.39 0.11 . 1 . . . . . . . . 5159 1 1051 . 1 1 107 107 ALA C C 13 181.1 0.17 . 1 . . . . . . . . 5159 1 1052 . 1 1 108 108 GLU N N 15 122.1 0.17 . 1 . . . . . . . . 5159 1 1053 . 1 1 108 108 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 5159 1 1054 . 1 1 108 108 GLU CA C 13 59.4 0.4 . 1 . . . . . . . . 5159 1 1055 . 1 1 108 108 GLU HA H 1 4.40 0.11 . 1 . . . . . . . . 5159 1 1056 . 1 1 108 108 GLU CB C 13 29.1 0.6 . 1 . . . . . . . . 5159 1 1057 . 1 1 108 108 GLU HB3 H 1 2.27 0.11 . 2 . . . . . . . . 5159 1 1058 . 1 1 108 108 GLU HB2 H 1 2.35 0.11 . 2 . . . . . . . . 5159 1 1059 . 1 1 108 108 GLU CG C 13 35.7 0.6 . 1 . . . . . . . . 5159 1 1060 . 1 1 108 108 GLU HG3 H 1 2.54 0.11 . 1 . . . . . . . . 5159 1 1061 . 1 1 108 108 GLU HG2 H 1 2.54 0.11 . 1 . . . . . . . . 5159 1 1062 . 1 1 108 108 GLU C C 13 178.3 0.17 . 1 . . . . . . . . 5159 1 1063 . 1 1 109 109 GLU N N 15 120.0 0.17 . 1 . . . . . . . . 5159 1 1064 . 1 1 109 109 GLU H H 1 8.06 0.02 . 1 . . . . . . . . 5159 1 1065 . 1 1 109 109 GLU CA C 13 59.5 0.4 . 1 . . . . . . . . 5159 1 1066 . 1 1 109 109 GLU HA H 1 4.14 0.11 . 1 . . . . . . . . 5159 1 1067 . 1 1 109 109 GLU CB C 13 29.6 0.6 . 1 . . . . . . . . 5159 1 1068 . 1 1 109 109 GLU HB3 H 1 2.33 0.11 . 1 . . . . . . . . 5159 1 1069 . 1 1 109 109 GLU HB2 H 1 2.33 0.11 . 1 . . . . . . . . 5159 1 1070 . 1 1 109 109 GLU CG C 13 36.8 0.6 . 1 . . . . . . . . 5159 1 1071 . 1 1 109 109 GLU HG3 H 1 2.35 0.11 . 2 . . . . . . . . 5159 1 1072 . 1 1 109 109 GLU HG2 H 1 2.57 0.11 . 2 . . . . . . . . 5159 1 1073 . 1 1 109 109 GLU C C 13 178.5 0.17 . 1 . . . . . . . . 5159 1 1074 . 1 1 110 110 PHE N N 15 118.3 0.17 . 1 . . . . . . . . 5159 1 1075 . 1 1 110 110 PHE H H 1 7.69 0.02 . 1 . . . . . . . . 5159 1 1076 . 1 1 110 110 PHE CA C 13 61.3 0.4 . 1 . . . . . . . . 5159 1 1077 . 1 1 110 110 PHE HA H 1 3.86 0.11 . 1 . . . . . . . . 5159 1 1078 . 1 1 110 110 PHE CB C 13 39.6 0.6 . 1 . . . . . . . . 5159 1 1079 . 1 1 110 110 PHE HB3 H 1 2.64 0.11 . 2 . . . . . . . . 5159 1 1080 . 1 1 110 110 PHE HB2 H 1 3.39 0.11 . 2 . . . . . . . . 5159 1 1081 . 1 1 110 110 PHE C C 13 175.6 0.17 . 1 . . . . . . . . 5159 1 1082 . 1 1 111 111 LYS N N 15 118.6 0.17 . 1 . . . . . . . . 5159 1 1083 . 1 1 111 111 LYS H H 1 7.47 0.02 . 1 . . . . . . . . 5159 1 1084 . 1 1 111 111 LYS CA C 13 59.2 0.4 . 1 . . . . . . . . 5159 1 1085 . 1 1 111 111 LYS HA H 1 3.16 0.11 . 1 . . . . . . . . 5159 1 1086 . 1 1 111 111 LYS CB C 13 32.2 0.6 . 1 . . . . . . . . 5159 1 1087 . 1 1 111 111 LYS HB3 H 1 0.94 0.11 . 2 . . . . . . . . 5159 1 1088 . 1 1 111 111 LYS HB2 H 1 1.85 0.11 . 2 . . . . . . . . 5159 1 1089 . 1 1 111 111 LYS C C 13 177.5 0.17 . 1 . . . . . . . . 5159 1 1090 . 1 1 112 112 GLN N N 15 115.3 0.17 . 1 . . . . . . . . 5159 1 1091 . 1 1 112 112 GLN H H 1 8.00 0.02 . 1 . . . . . . . . 5159 1 1092 . 1 1 112 112 GLN CA C 13 58.8 0.4 . 1 . . . . . . . . 5159 1 1093 . 1 1 112 112 GLN HA H 1 4.03 0.11 . 1 . . . . . . . . 5159 1 1094 . 1 1 112 112 GLN CB C 13 28.1 0.6 . 1 . . . . . . . . 5159 1 1095 . 1 1 112 112 GLN HB3 H 1 2.19 0.11 . 1 . . . . . . . . 5159 1 1096 . 1 1 112 112 GLN HB2 H 1 2.19 0.11 . 1 . . . . . . . . 5159 1 1097 . 1 1 112 112 GLN CG C 13 33.5 0.6 . 1 . . . . . . . . 5159 1 1098 . 1 1 112 112 GLN HG3 H 1 2.47 0.11 . 2 . . . . . . . . 5159 1 1099 . 1 1 112 112 GLN HG2 H 1 2.63 0.11 . 2 . . . . . . . . 5159 1 1100 . 1 1 112 112 GLN C C 13 179.2 0.17 . 1 . . . . . . . . 5159 1 1101 . 1 1 113 113 LYS N N 15 119.8 0.17 . 1 . . . . . . . . 5159 1 1102 . 1 1 113 113 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 5159 1 1103 . 1 1 113 113 LYS CA C 13 57.1 0.4 . 1 . . . . . . . . 5159 1 1104 . 1 1 113 113 LYS HA H 1 4.08 0.11 . 1 . . . . . . . . 5159 1 1105 . 1 1 113 113 LYS CB C 13 30.4 0.6 . 1 . . . . . . . . 5159 1 1106 . 1 1 113 113 LYS HB3 H 1 1.36 0.11 . 2 . . . . . . . . 5159 1 1107 . 1 1 113 113 LYS HB2 H 1 1.69 0.11 . 2 . . . . . . . . 5159 1 1108 . 1 1 113 113 LYS C C 13 178.5 0.17 . 1 . . . . . . . . 5159 1 1109 . 1 1 114 114 PHE N N 15 121.6 0.17 . 1 . . . . . . . . 5159 1 1110 . 1 1 114 114 PHE H H 1 8.95 0.02 . 1 . . . . . . . . 5159 1 1111 . 1 1 114 114 PHE CA C 13 62.3 0.4 . 1 . . . . . . . . 5159 1 1112 . 1 1 114 114 PHE HA H 1 3.46 0.11 . 1 . . . . . . . . 5159 1 1113 . 1 1 114 114 PHE CB C 13 39.1 0.6 . 1 . . . . . . . . 5159 1 1114 . 1 1 114 114 PHE HB3 H 1 1.96 0.11 . 2 . . . . . . . . 5159 1 1115 . 1 1 114 114 PHE HB2 H 1 2.67 0.11 . 2 . . . . . . . . 5159 1 1116 . 1 1 114 114 PHE C C 13 177.0 0.17 . 1 . . . . . . . . 5159 1 1117 . 1 1 115 115 GLU N N 15 116.7 0.17 . 1 . . . . . . . . 5159 1 1118 . 1 1 115 115 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 5159 1 1119 . 1 1 115 115 GLU CA C 13 59.5 0.4 . 1 . . . . . . . . 5159 1 1120 . 1 1 115 115 GLU HA H 1 3.94 0.11 . 1 . . . . . . . . 5159 1 1121 . 1 1 115 115 GLU CB C 13 28.9 0.6 . 1 . . . . . . . . 5159 1 1122 . 1 1 115 115 GLU HB3 H 1 2.15 0.11 . 2 . . . . . . . . 5159 1 1123 . 1 1 115 115 GLU HB2 H 1 2.03 0.11 . 2 . . . . . . . . 5159 1 1124 . 1 1 115 115 GLU CG C 13 37.3 0.6 . 1 . . . . . . . . 5159 1 1125 . 1 1 115 115 GLU HG3 H 1 2.36 0.11 . 2 . . . . . . . . 5159 1 1126 . 1 1 115 115 GLU HG2 H 1 2.76 0.11 . 2 . . . . . . . . 5159 1 1127 . 1 1 115 115 GLU C C 13 179.6 0.17 . 1 . . . . . . . . 5159 1 1128 . 1 1 116 116 GLU N N 15 120.0 0.17 . 1 . . . . . . . . 5159 1 1129 . 1 1 116 116 GLU H H 1 8.06 0.02 . 1 . . . . . . . . 5159 1 1130 . 1 1 116 116 GLU CA C 13 59.6 0.4 . 1 . . . . . . . . 5159 1 1131 . 1 1 116 116 GLU HA H 1 4.01 0.11 . 1 . . . . . . . . 5159 1 1132 . 1 1 116 116 GLU CB C 13 29.9 0.6 . 1 . . . . . . . . 5159 1 1133 . 1 1 116 116 GLU HB3 H 1 2.29 0.11 . 1 . . . . . . . . 5159 1 1134 . 1 1 116 116 GLU HB2 H 1 2.29 0.11 . 1 . . . . . . . . 5159 1 1135 . 1 1 116 116 GLU CG C 13 36.1 0.6 . 1 . . . . . . . . 5159 1 1136 . 1 1 116 116 GLU HG3 H 1 2.44 0.11 . 2 . . . . . . . . 5159 1 1137 . 1 1 116 116 GLU HG2 H 1 2.21 0.11 . 2 . . . . . . . . 5159 1 1138 . 1 1 116 116 GLU C C 13 179.4 0.17 . 1 . . . . . . . . 5159 1 1139 . 1 1 117 117 CYS N N 15 116.7 0.17 . 1 . . . . . . . . 5159 1 1140 . 1 1 117 117 CYS H H 1 8.23 0.02 . 1 . . . . . . . . 5159 1 1141 . 1 1 117 117 CYS CA C 13 63.6 0.4 . 1 . . . . . . . . 5159 1 1142 . 1 1 117 117 CYS HA H 1 4.08 0.11 . 1 . . . . . . . . 5159 1 1143 . 1 1 117 117 CYS CB C 13 25.8 0.6 . 1 . . . . . . . . 5159 1 1144 . 1 1 117 117 CYS HB3 H 1 2.50 0.11 . 2 . . . . . . . . 5159 1 1145 . 1 1 117 117 CYS HB2 H 1 2.98 0.11 . 2 . . . . . . . . 5159 1 1146 . 1 1 117 117 CYS C C 13 176.3 0.17 . 1 . . . . . . . . 5159 1 1147 . 1 1 118 118 GLN N N 15 117.5 0.17 . 1 . . . . . . . . 5159 1 1148 . 1 1 118 118 GLN H H 1 8.09 0.02 . 1 . . . . . . . . 5159 1 1149 . 1 1 118 118 GLN CA C 13 59.3 0.4 . 1 . . . . . . . . 5159 1 1150 . 1 1 118 118 GLN HA H 1 3.59 0.11 . 1 . . . . . . . . 5159 1 1151 . 1 1 118 118 GLN CB C 13 29.4 0.6 . 1 . . . . . . . . 5159 1 1152 . 1 1 118 118 GLN HB3 H 1 1.82 0.11 . 2 . . . . . . . . 5159 1 1153 . 1 1 118 118 GLN HB2 H 1 1.96 0.11 . 2 . . . . . . . . 5159 1 1154 . 1 1 118 118 GLN CG C 13 34.9 0.6 . 1 . . . . . . . . 5159 1 1155 . 1 1 118 118 GLN HG3 H 1 1.81 0.11 . 2 . . . . . . . . 5159 1 1156 . 1 1 118 118 GLN HG2 H 1 1.97 0.11 . 2 . . . . . . . . 5159 1 1157 . 1 1 118 118 GLN C C 13 177.9 0.17 . 1 . . . . . . . . 5159 1 1158 . 1 1 119 119 ARG N N 15 116.4 0.17 . 1 . . . . . . . . 5159 1 1159 . 1 1 119 119 ARG H H 1 7.57 0.02 . 1 . . . . . . . . 5159 1 1160 . 1 1 119 119 ARG CA C 13 59.1 0.4 . 1 . . . . . . . . 5159 1 1161 . 1 1 119 119 ARG HA H 1 4.11 0.11 . 1 . . . . . . . . 5159 1 1162 . 1 1 119 119 ARG CB C 13 29.7 0.6 . 1 . . . . . . . . 5159 1 1163 . 1 1 119 119 ARG HB3 H 1 2.02 0.11 . 1 . . . . . . . . 5159 1 1164 . 1 1 119 119 ARG HB2 H 1 2.02 0.11 . 1 . . . . . . . . 5159 1 1165 . 1 1 119 119 ARG CG C 13 28.0 0.6 . 1 . . . . . . . . 5159 1 1166 . 1 1 119 119 ARG HG3 H 1 1.74 0.11 . 2 . . . . . . . . 5159 1 1167 . 1 1 119 119 ARG HG2 H 1 2.00 0.11 . 2 . . . . . . . . 5159 1 1168 . 1 1 119 119 ARG CD C 13 43.3 0.6 . 1 . . . . . . . . 5159 1 1169 . 1 1 119 119 ARG HD3 H 1 3.29 0.11 . 2 . . . . . . . . 5159 1 1170 . 1 1 119 119 ARG HD2 H 1 3.35 0.11 . 2 . . . . . . . . 5159 1 1171 . 1 1 119 119 ARG NE N 15 123.4 0.17 . 1 . . . . . . . . 5159 1 1172 . 1 1 119 119 ARG HE H 1 7.40 0.11 . 1 . . . . . . . . 5159 1 1173 . 1 1 119 119 ARG C C 13 178.6 0.17 . 1 . . . . . . . . 5159 1 1174 . 1 1 120 120 LEU N N 15 117.7 0.17 . 1 . . . . . . . . 5159 1 1175 . 1 1 120 120 LEU H H 1 7.68 0.02 . 1 . . . . . . . . 5159 1 1176 . 1 1 120 120 LEU CA C 13 56.7 0.4 . 1 . . . . . . . . 5159 1 1177 . 1 1 120 120 LEU HA H 1 4.29 0.11 . 1 . . . . . . . . 5159 1 1178 . 1 1 120 120 LEU CB C 13 41.6 0.6 . 1 . . . . . . . . 5159 1 1179 . 1 1 120 120 LEU HB3 H 1 1.71 0.11 . 2 . . . . . . . . 5159 1 1180 . 1 1 120 120 LEU HB2 H 1 2.11 0.11 . 2 . . . . . . . . 5159 1 1181 . 1 1 120 120 LEU CD1 C 13 25.1 0.6 . 4 . . . . . . . . 5159 1 1182 . 1 1 120 120 LEU HD11 H 1 1.01 0.11 . 4 . . . . . . . . 5159 1 1183 . 1 1 120 120 LEU HD12 H 1 1.01 0.11 . 4 . . . . . . . . 5159 1 1184 . 1 1 120 120 LEU HD13 H 1 1.01 0.11 . 4 . . . . . . . . 5159 1 1185 . 1 1 120 120 LEU C C 13 179.2 0.17 . 1 . . . . . . . . 5159 1 1186 . 1 1 121 121 LEU N N 15 116.5 0.17 . 1 . . . . . . . . 5159 1 1187 . 1 1 121 121 LEU H H 1 7.49 0.02 . 1 . . . . . . . . 5159 1 1188 . 1 1 121 121 LEU CA C 13 55.9 0.4 . 1 . . . . . . . . 5159 1 1189 . 1 1 121 121 LEU HA H 1 4.30 0.11 . 1 . . . . . . . . 5159 1 1190 . 1 1 121 121 LEU CB C 13 42.2 0.6 . 1 . . . . . . . . 5159 1 1191 . 1 1 121 121 LEU HB3 H 1 1.65 0.11 . 2 . . . . . . . . 5159 1 1192 . 1 1 121 121 LEU HB2 H 1 2.00 0.11 . 2 . . . . . . . . 5159 1 1193 . 1 1 121 121 LEU HD11 H 1 0.97 0.11 . 4 . . . . . . . . 5159 1 1194 . 1 1 121 121 LEU HD12 H 1 0.97 0.11 . 4 . . . . . . . . 5159 1 1195 . 1 1 121 121 LEU HD13 H 1 0.97 0.11 . 4 . . . . . . . . 5159 1 1196 . 1 1 121 121 LEU C C 13 178.0 0.17 . 1 . . . . . . . . 5159 1 1197 . 1 1 122 122 LEU N N 15 117.9 0.17 . 1 . . . . . . . . 5159 1 1198 . 1 1 122 122 LEU H H 1 7.53 0.02 . 1 . . . . . . . . 5159 1 1199 . 1 1 122 122 LEU CA C 13 55.5 0.4 . 1 . . . . . . . . 5159 1 1200 . 1 1 122 122 LEU HA H 1 4.39 0.11 . 1 . . . . . . . . 5159 1 1201 . 1 1 122 122 LEU CB C 13 42.4 0.6 . 1 . . . . . . . . 5159 1 1202 . 1 1 122 122 LEU HB3 H 1 1.67 0.11 . 2 . . . . . . . . 5159 1 1203 . 1 1 122 122 LEU HB2 H 1 1.86 0.11 . 2 . . . . . . . . 5159 1 1204 . 1 1 122 122 LEU C C 13 177.0 0.17 . 1 . . . . . . . . 5159 1 1205 . 1 1 123 123 ASP N N 15 118.9 0.17 . 1 . . . . . . . . 5159 1 1206 . 1 1 123 123 ASP H H 1 7.94 0.02 . 1 . . . . . . . . 5159 1 1207 . 1 1 123 123 ASP CA C 13 54.3 0.4 . 1 . . . . . . . . 5159 1 1208 . 1 1 123 123 ASP HA H 1 4.74 0.11 . 1 . . . . . . . . 5159 1 1209 . 1 1 123 123 ASP CB C 13 41.0 0.6 . 1 . . . . . . . . 5159 1 1210 . 1 1 123 123 ASP HB3 H 1 2.68 0.11 . 2 . . . . . . . . 5159 1 1211 . 1 1 123 123 ASP HB2 H 1 2.87 0.11 . 2 . . . . . . . . 5159 1 1212 . 1 1 123 123 ASP C C 13 173.0 0.17 . 1 . . . . . . . . 5159 1 1213 . 1 1 124 124 ILE N N 15 121.1 0.17 . 1 . . . . . . . . 5159 1 1214 . 1 1 124 124 ILE H H 1 7.79 0.02 . 1 . . . . . . . . 5159 1 1215 . 1 1 124 124 ILE CA C 13 59.3 0.4 . 1 . . . . . . . . 5159 1 1216 . 1 1 124 124 ILE HA H 1 4.51 0.11 . 1 . . . . . . . . 5159 1 1217 . 1 1 124 124 ILE CB C 13 38.6 0.6 . 1 . . . . . . . . 5159 1 1218 . 1 1 124 124 ILE HB H 1 1.99 0.11 . 1 . . . . . . . . 5159 1 1219 . 1 1 124 124 ILE CG1 C 13 27.0 0.6 . 1 . . . . . . . . 5159 1 1220 . 1 1 124 124 ILE HG13 H 1 1.27 0.11 . 2 . . . . . . . . 5159 1 1221 . 1 1 124 124 ILE HG12 H 1 1.67 0.11 . 2 . . . . . . . . 5159 1 1222 . 1 1 124 124 ILE CG2 C 13 17.0 0.6 . 1 . . . . . . . . 5159 1 1223 . 1 1 124 124 ILE HG21 H 1 1.06 0.11 . 1 . . . . . . . . 5159 1 1224 . 1 1 124 124 ILE HG22 H 1 1.06 0.11 . 1 . . . . . . . . 5159 1 1225 . 1 1 124 124 ILE HG23 H 1 1.06 0.11 . 1 . . . . . . . . 5159 1 1226 . 1 1 124 124 ILE CD1 C 13 12.7 0.6 . 1 . . . . . . . . 5159 1 1227 . 1 1 124 124 ILE HD11 H 1 0.99 0.11 . 1 . . . . . . . . 5159 1 1228 . 1 1 124 124 ILE HD12 H 1 0.99 0.11 . 1 . . . . . . . . 5159 1 1229 . 1 1 124 124 ILE HD13 H 1 0.99 0.11 . 1 . . . . . . . . 5159 1 1230 . 1 1 125 125 PRO CA C 13 63.2 0.4 . 1 . . . . . . . . 5159 1 1231 . 1 1 125 125 PRO HA H 1 4.54 0.11 . 1 . . . . . . . . 5159 1 1232 . 1 1 125 125 PRO CB C 13 32.1 0.6 . 1 . . . . . . . . 5159 1 1233 . 1 1 125 125 PRO HB3 H 1 1.96 0.11 . 2 . . . . . . . . 5159 1 1234 . 1 1 125 125 PRO HB2 H 1 2.39 0.11 . 2 . . . . . . . . 5159 1 1235 . 1 1 125 125 PRO CG C 13 27.2 0.6 . 1 . . . . . . . . 5159 1 1236 . 1 1 125 125 PRO HG3 H 1 2.12 0.11 . 1 . . . . . . . . 5159 1 1237 . 1 1 125 125 PRO HG2 H 1 2.12 0.11 . 1 . . . . . . . . 5159 1 1238 . 1 1 125 125 PRO CD C 13 50.8 0.6 . 1 . . . . . . . . 5159 1 1239 . 1 1 125 125 PRO HD3 H 1 3.78 0.11 . 2 . . . . . . . . 5159 1 1240 . 1 1 125 125 PRO HD2 H 1 3.99 0.11 . 2 . . . . . . . . 5159 1 1241 . 1 1 125 125 PRO C C 13 176.8 0.17 . 1 . . . . . . . . 5159 1 1242 . 1 1 126 126 LEU N N 15 121.3 0.17 . 1 . . . . . . . . 5159 1 1243 . 1 1 126 126 LEU H H 1 8.30 0.02 . 1 . . . . . . . . 5159 1 1244 . 1 1 126 126 LEU CA C 13 55.3 0.4 . 1 . . . . . . . . 5159 1 1245 . 1 1 126 126 LEU HA H 1 4.41 0.11 . 1 . . . . . . . . 5159 1 1246 . 1 1 126 126 LEU CB C 13 42.4 0.6 . 1 . . . . . . . . 5159 1 1247 . 1 1 126 126 LEU HB3 H 1 1.71 0.11 . 2 . . . . . . . . 5159 1 1248 . 1 1 126 126 LEU HB2 H 1 1.76 0.11 . 2 . . . . . . . . 5159 1 1249 . 1 1 126 126 LEU CG C 13 27.1 0.6 . 1 . . . . . . . . 5159 1 1250 . 1 1 126 126 LEU HG H 1 1.79 0.11 . 1 . . . . . . . . 5159 1 1251 . 1 1 126 126 LEU CD1 C 13 24.6 0.6 . 2 . . . . . . . . 5159 1 1252 . 1 1 126 126 LEU HD11 H 1 1.05 0.11 . 2 . . . . . . . . 5159 1 1253 . 1 1 126 126 LEU HD12 H 1 1.05 0.11 . 2 . . . . . . . . 5159 1 1254 . 1 1 126 126 LEU HD13 H 1 1.05 0.11 . 2 . . . . . . . . 5159 1 1255 . 1 1 126 126 LEU CD2 C 13 23.1 0.6 . 2 . . . . . . . . 5159 1 1256 . 1 1 126 126 LEU HD21 H 1 1.00 0.11 . 2 . . . . . . . . 5159 1 1257 . 1 1 126 126 LEU HD22 H 1 1.00 0.11 . 2 . . . . . . . . 5159 1 1258 . 1 1 126 126 LEU HD23 H 1 1.00 0.11 . 2 . . . . . . . . 5159 1 1259 . 1 1 126 126 LEU C C 13 172.2 0.17 . 1 . . . . . . . . 5159 1 1260 . 1 1 127 127 GLN N N 15 120.3 0.17 . 1 . . . . . . . . 5159 1 1261 . 1 1 127 127 GLN H H 1 8.39 0.02 . 1 . . . . . . . . 5159 1 1262 . 1 1 127 127 GLN CA C 13 55.5 0.4 . 1 . . . . . . . . 5159 1 1263 . 1 1 127 127 GLN HA H 1 4.54 0.11 . 1 . . . . . . . . 5159 1 1264 . 1 1 127 127 GLN CB C 13 29.7 0.6 . 1 . . . . . . . . 5159 1 1265 . 1 1 127 127 GLN HB3 H 1 2.09 0.11 . 2 . . . . . . . . 5159 1 1266 . 1 1 127 127 GLN HB2 H 1 2.21 0.11 . 2 . . . . . . . . 5159 1 1267 . 1 1 127 127 GLN CG C 13 33.6 0.6 . 1 . . . . . . . . 5159 1 1268 . 1 1 127 127 GLN HG3 H 1 2.47 0.11 . 1 . . . . . . . . 5159 1 1269 . 1 1 127 127 GLN HG2 H 1 2.47 0.11 . 1 . . . . . . . . 5159 1 1270 . 1 1 127 127 GLN C C 13 175.7 0.17 . 1 . . . . . . . . 5159 1 1271 . 1 1 128 128 THR N N 15 117.1 0.17 . 1 . . . . . . . . 5159 1 1272 . 1 1 128 128 THR H H 1 8.27 0.02 . 1 . . . . . . . . 5159 1 1273 . 1 1 128 128 THR CA C 13 59.8 0.4 . 1 . . . . . . . . 5159 1 1274 . 1 1 128 128 THR HA H 1 4.68 0.11 . 1 . . . . . . . . 5159 1 1275 . 1 1 128 128 THR CB C 13 69.6 0.6 . 1 . . . . . . . . 5159 1 1276 . 1 1 128 128 THR HB H 1 4.26 0.11 . 1 . . . . . . . . 5159 1 1277 . 1 1 128 128 THR CG2 C 13 21.2 0.6 . 1 . . . . . . . . 5159 1 1278 . 1 1 128 128 THR HG21 H 1 1.37 0.11 . 1 . . . . . . . . 5159 1 1279 . 1 1 128 128 THR HG22 H 1 1.37 0.11 . 1 . . . . . . . . 5159 1 1280 . 1 1 128 128 THR HG23 H 1 1.37 0.11 . 1 . . . . . . . . 5159 1 1281 . 1 1 129 129 PRO CA C 13 63.4 0.4 . 1 . . . . . . . . 5159 1 1282 . 1 1 129 129 PRO HA H 1 4.54 0.11 . 1 . . . . . . . . 5159 1 1283 . 1 1 129 129 PRO CB C 13 32.0 0.6 . 1 . . . . . . . . 5159 1 1284 . 1 1 129 129 PRO HB3 H 1 2.03 0.11 . 2 . . . . . . . . 5159 1 1285 . 1 1 129 129 PRO HB2 H 1 2.41 0.11 . 2 . . . . . . . . 5159 1 1286 . 1 1 129 129 PRO CG C 13 27.2 0.6 . 1 . . . . . . . . 5159 1 1287 . 1 1 129 129 PRO HG3 H 1 2.10 0.11 . 2 . . . . . . . . 5159 1 1288 . 1 1 129 129 PRO HG2 H 1 2.17 0.11 . 2 . . . . . . . . 5159 1 1289 . 1 1 129 129 PRO CD C 13 51.0 0.6 . 1 . . . . . . . . 5159 1 1290 . 1 1 129 129 PRO HD3 H 1 3.83 0.11 . 2 . . . . . . . . 5159 1 1291 . 1 1 129 129 PRO HD2 H 1 3.97 0.11 . 2 . . . . . . . . 5159 1 1292 . 1 1 129 129 PRO C C 13 176.0 0.17 . 1 . . . . . . . . 5159 1 1293 . 1 1 130 130 LYS N N 15 126.2 0.17 . 1 . . . . . . . . 5159 1 1294 . 1 1 130 130 LYS H H 1 8.06 0.02 . 1 . . . . . . . . 5159 1 1295 . 1 1 130 130 LYS CA C 13 57.7 0.4 . 1 . . . . . . . . 5159 1 1296 . 1 1 130 130 LYS HA H 1 4.26 0.11 . 1 . . . . . . . . 5159 1 1297 . 1 1 130 130 LYS CB C 13 33.1 0.6 . 1 . . . . . . . . 5159 1 1298 . 1 1 130 130 LYS HB3 H 1 1.82 0.11 . 2 . . . . . . . . 5159 1 1299 . 1 1 130 130 LYS HB2 H 1 1.94 0.11 . 2 . . . . . . . . 5159 1 1300 . 1 1 130 130 LYS CG C 13 24.6 0.6 . 1 . . . . . . . . 5159 1 1301 . 1 1 130 130 LYS HG3 H 1 1.55 0.11 . 1 . . . . . . . . 5159 1 1302 . 1 1 130 130 LYS HG2 H 1 1.55 0.11 . 1 . . . . . . . . 5159 1 1303 . 1 1 130 130 LYS CD C 13 28.8 0.6 . 1 . . . . . . . . 5159 1 1304 . 1 1 130 130 LYS HD3 H 1 1.81 0.11 . 1 . . . . . . . . 5159 1 1305 . 1 1 130 130 LYS HD2 H 1 1.81 0.11 . 1 . . . . . . . . 5159 1 1306 . 1 1 130 130 LYS CE C 13 41.8 0.6 . 1 . . . . . . . . 5159 1 1307 . 1 1 130 130 LYS HE3 H 1 3.15 0.11 . 1 . . . . . . . . 5159 1 1308 . 1 1 130 130 LYS HE2 H 1 3.15 0.11 . 1 . . . . . . . . 5159 1 stop_ save_