data_11033 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11033 _Entry.Title ; Solution structure of the presumed chromodomain of the yeast histone acetyltransferase protein, Esa1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-01 _Entry.Accession_date 2008-03-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Hideaki Shimojo N. . . 11033 2 Norihiko Sano . . . 11033 3 Yoshihito Moriwaki . . . 11033 4 Masahiko Okuda . . . 11033 5 Masami Horikoshi . . . 11033 6 Yoshifumi Nishimura . . . 11033 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chromodomain . 11033 Esa1 . 11033 HAT . 11033 'RNA binding' . 11033 'tudor domain' . 11033 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11033 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 396 11033 '15N chemical shifts' 96 11033 '1H chemical shifts' 627 11033 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 2 . . 2008-07-07 2008-03-01 update BMRB 'complete entry citation' 11033 1 . . 2008-04-16 2008-03-01 original author 'original release' 11033 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11032 'the knotted tudor domain of the yeast histone acetyltransferase protein, Esa1' 11033 EMBL CAA99465.1 'hypothetical protein YOR244w - yeast (Saccharomyces cerevisiae).' 11033 EMBL Z75152 'S.cerevisiae chromosome XV reading frame ORF YOR244w.' 11033 'NCBI Protein' NP_014887.1 ; Histone acetyltransferase catalytic subunit of the native multisubunit complex (NuA4), Esa1p [Saccharomyces cerevisiae] ; 11033 PDB 2RNZ 'BMRB Entry Tracking System' 11033 'Protein Information Resource' S67137 'hypothetical protein YOR244w - yeast (Saccharomyces cerevisiae).' 11033 'Saccharomyces Genome Database' S000005770 ESA1/YOR244W 11033 Swiss-Prot Q08649 'Histone acetyltransferase ESA1' 11033 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 11033 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18407291 _Citation.Full_citation . _Citation.Title ; Novel structural and functional mode of a knot essential for RNA binding activity of the Esa1 presumed chromodomain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 378 _Citation.Journal_issue 5 _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 987 _Citation.Page_last 1001 _Citation.Year 2008 _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 Hideaki Shimojo N. . . 11033 1 2 Norihiko Sano . . . 11033 1 3 Yoshihito Moriwaki . . . 11033 1 4 Masahiko Okuda . . . 11033 1 5 Masami Horikoshi . . . 11033 1 6 Yoshifumi Nishimura . . . 11033 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11033 _Assembly.ID 1 _Assembly.Name 'the presumed chromodomain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'Residues 17-89' 1 $entity A . yes native no no . . . 11033 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11033 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Residues 17-89' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MSVDDIIIKCQCWVQKNDEE RLAEILSINTRKAPPKFYVH YVNYNKRLDEWITTDRINLD KEVLYPKLKATDED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Residues 17-89' _Entity.Mutation 'Histag -4 - 16' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11071.614 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 11032 . "Residues 1-89" . . . . . 77.66 92 100.00 100.00 3.56e-45 . . . . 11033 1 2 no PDB 2RNZ . "Solution Structure Of The Presumed Chromodomain Of The Yeast Histone Acetyltransferase, Esa1" . . . . . 100.00 94 100.00 100.00 9.69e-63 . . . . 11033 1 3 no PDB 2RO0 . "Solution Structure Of The Knotted Tudor Domain Of The Yeast Histone Acetyltransferase, Esa1" . . . . . 77.66 92 100.00 100.00 3.56e-45 . . . . 11033 1 4 no DBJ GAA26555 . "K7_Esa1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 77.66 445 100.00 100.00 4.25e-42 . . . . 11033 1 5 no EMBL CAA99465 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 77.66 445 100.00 100.00 3.75e-42 . . . . 11033 1 6 no EMBL CAY86525 . "Esa1p [Saccharomyces cerevisiae EC1118]" . . . . . 77.66 445 100.00 100.00 3.75e-42 . . . . 11033 1 7 no GB AHY77525 . "Esa1p [Saccharomyces cerevisiae YJM993]" . . . . . 77.66 445 100.00 100.00 3.75e-42 . . . . 11033 1 8 no GB AJP41755 . "Esa1p [Saccharomyces cerevisiae YJM1078]" . . . . . 77.66 445 100.00 100.00 3.75e-42 . . . . 11033 1 9 no GB AJT71177 . "Esa1p [Saccharomyces cerevisiae YJM189]" . . . . . 77.66 445 100.00 100.00 3.75e-42 . . . . 11033 1 10 no GB AJT71665 . "Esa1p [Saccharomyces cerevisiae YJM193]" . . . . . 77.66 445 100.00 100.00 3.68e-42 . . . . 11033 1 11 no GB AJT72155 . "Esa1p [Saccharomyces cerevisiae YJM195]" . . . . . 77.66 445 100.00 100.00 3.75e-42 . . . . 11033 1 12 no REF NP_014887 . "NuA4 histone acetyltransferase complex catalytic subunit ESA1 [Saccharomyces cerevisiae S288c]" . . . . . 77.66 445 100.00 100.00 3.75e-42 . . . . 11033 1 13 no SP Q08649 . "RecName: Full=Histone acetyltransferase ESA1" . . . . . 77.66 445 100.00 100.00 3.75e-42 . . . . 11033 1 14 no TPG DAA11012 . "TPA: NuA4 histone acetyltransferase complex catalytic subunit ESA1 [Saccharomyces cerevisiae S288c]" . . . . . 77.66 445 100.00 100.00 3.75e-42 . . . . 11033 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 -4 MET . 11033 1 2 -3 GLY . 11033 1 3 -2 SER . 11033 1 4 -1 SER . 11033 1 5 0 HIS . 11033 1 6 1 HIS . 11033 1 7 2 HIS . 11033 1 8 3 HIS . 11033 1 9 4 HIS . 11033 1 10 5 HIS . 11033 1 11 6 SER . 11033 1 12 7 SER . 11033 1 13 8 GLY . 11033 1 14 9 LEU . 11033 1 15 10 VAL . 11033 1 16 11 PRO . 11033 1 17 12 ARG . 11033 1 18 13 GLY . 11033 1 19 14 SER . 11033 1 20 15 HIS . 11033 1 21 16 MET . 11033 1 22 17 SER . 11033 1 23 18 VAL . 11033 1 24 19 ASP . 11033 1 25 20 ASP . 11033 1 26 21 ILE . 11033 1 27 22 ILE . 11033 1 28 23 ILE . 11033 1 29 24 LYS . 11033 1 30 25 CYS . 11033 1 31 26 GLN . 11033 1 32 27 CYS . 11033 1 33 28 TRP . 11033 1 34 29 VAL . 11033 1 35 30 GLN . 11033 1 36 31 LYS . 11033 1 37 32 ASN . 11033 1 38 33 ASP . 11033 1 39 34 GLU . 11033 1 40 35 GLU . 11033 1 41 36 ARG . 11033 1 42 37 LEU . 11033 1 43 38 ALA . 11033 1 44 39 GLU . 11033 1 45 40 ILE . 11033 1 46 41 LEU . 11033 1 47 42 SER . 11033 1 48 43 ILE . 11033 1 49 44 ASN . 11033 1 50 45 THR . 11033 1 51 46 ARG . 11033 1 52 47 LYS . 11033 1 53 48 ALA . 11033 1 54 49 PRO . 11033 1 55 50 PRO . 11033 1 56 51 LYS . 11033 1 57 52 PHE . 11033 1 58 53 TYR . 11033 1 59 54 VAL . 11033 1 60 55 HIS . 11033 1 61 56 TYR . 11033 1 62 57 VAL . 11033 1 63 58 ASN . 11033 1 64 59 TYR . 11033 1 65 60 ASN . 11033 1 66 61 LYS . 11033 1 67 62 ARG . 11033 1 68 63 LEU . 11033 1 69 64 ASP . 11033 1 70 65 GLU . 11033 1 71 66 TRP . 11033 1 72 67 ILE . 11033 1 73 68 THR . 11033 1 74 69 THR . 11033 1 75 70 ASP . 11033 1 76 71 ARG . 11033 1 77 72 ILE . 11033 1 78 73 ASN . 11033 1 79 74 LEU . 11033 1 80 75 ASP . 11033 1 81 76 LYS . 11033 1 82 77 GLU . 11033 1 83 78 VAL . 11033 1 84 79 LEU . 11033 1 85 80 TYR . 11033 1 86 81 PRO . 11033 1 87 82 LYS . 11033 1 88 83 LEU . 11033 1 89 84 LYS . 11033 1 90 85 ALA . 11033 1 91 86 THR . 11033 1 92 87 ASP . 11033 1 93 88 GLU . 11033 1 94 89 ASP . 11033 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 11033 1 . GLY 2 2 11033 1 . SER 3 3 11033 1 . SER 4 4 11033 1 . HIS 5 5 11033 1 . HIS 6 6 11033 1 . HIS 7 7 11033 1 . HIS 8 8 11033 1 . HIS 9 9 11033 1 . HIS 10 10 11033 1 . SER 11 11 11033 1 . SER 12 12 11033 1 . GLY 13 13 11033 1 . LEU 14 14 11033 1 . VAL 15 15 11033 1 . PRO 16 16 11033 1 . ARG 17 17 11033 1 . GLY 18 18 11033 1 . SER 19 19 11033 1 . HIS 20 20 11033 1 . MET 21 21 11033 1 . SER 22 22 11033 1 . VAL 23 23 11033 1 . ASP 24 24 11033 1 . ASP 25 25 11033 1 . ILE 26 26 11033 1 . ILE 27 27 11033 1 . ILE 28 28 11033 1 . LYS 29 29 11033 1 . CYS 30 30 11033 1 . GLN 31 31 11033 1 . CYS 32 32 11033 1 . TRP 33 33 11033 1 . VAL 34 34 11033 1 . GLN 35 35 11033 1 . LYS 36 36 11033 1 . ASN 37 37 11033 1 . ASP 38 38 11033 1 . GLU 39 39 11033 1 . GLU 40 40 11033 1 . ARG 41 41 11033 1 . LEU 42 42 11033 1 . ALA 43 43 11033 1 . GLU 44 44 11033 1 . ILE 45 45 11033 1 . LEU 46 46 11033 1 . SER 47 47 11033 1 . ILE 48 48 11033 1 . ASN 49 49 11033 1 . THR 50 50 11033 1 . ARG 51 51 11033 1 . LYS 52 52 11033 1 . ALA 53 53 11033 1 . PRO 54 54 11033 1 . PRO 55 55 11033 1 . LYS 56 56 11033 1 . PHE 57 57 11033 1 . TYR 58 58 11033 1 . VAL 59 59 11033 1 . HIS 60 60 11033 1 . TYR 61 61 11033 1 . VAL 62 62 11033 1 . ASN 63 63 11033 1 . TYR 64 64 11033 1 . ASN 65 65 11033 1 . LYS 66 66 11033 1 . ARG 67 67 11033 1 . LEU 68 68 11033 1 . ASP 69 69 11033 1 . GLU 70 70 11033 1 . TRP 71 71 11033 1 . ILE 72 72 11033 1 . THR 73 73 11033 1 . THR 74 74 11033 1 . ASP 75 75 11033 1 . ARG 76 76 11033 1 . ILE 77 77 11033 1 . ASN 78 78 11033 1 . LEU 79 79 11033 1 . ASP 80 80 11033 1 . LYS 81 81 11033 1 . GLU 82 82 11033 1 . VAL 83 83 11033 1 . LEU 84 84 11033 1 . TYR 85 85 11033 1 . PRO 86 86 11033 1 . LYS 87 87 11033 1 . LEU 88 88 11033 1 . LYS 89 89 11033 1 . ALA 90 90 11033 1 . THR 91 91 11033 1 . ASP 92 92 11033 1 . GLU 93 93 11033 1 . ASP 94 94 11033 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 11033 _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 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 11033 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 11033 _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 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 11033 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11033 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'Residues 17-89' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.1 . . mM . . . . 11033 1 2 'potassium phosphate' . . . . . . . 200 . . mM . . . . 11033 1 3 H2O . . . . . . . 90 . . % . . . . 11033 1 4 D2O . . . . . . . 10 . . % . . . . 11033 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11033 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'Residues 17-89' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.1 . . mM . . . . 11033 2 2 'potassium phosphate' . . . . . . . 200 . . mM . . . . 11033 2 3 D2O . . . . . . . 100 . . % . . . . 11033 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11033 _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 6.8 . pH 11033 1 pressure 1 . atm 11033 1 temperature 295 . K 11033 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11033 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 11033 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11033 1 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 11033 _Software.ID 2 _Software.Name Olivia _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yokochi, M., Sekiguchi, S. and Inagaki, F.' . . 11033 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11033 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11033 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11033 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11033 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11033 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11033 _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_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11033 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11033 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 11033 1 2 spectrometer_2 Bruker DRX . 800 . . . 11033 1 3 spectrometer_3 Varian INOVA . 900 . . . 11033 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 11033 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11033 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11033 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11033 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11033 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11033 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11033 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11033 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11033 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11033 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11033 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11033 _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 . indirect 0.251449530 . . . . . . . . . 11033 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11033 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 11033 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11033 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11033 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11033 1 3 '3D HNCACB' 1 $sample_1 isotropic 11033 1 4 '3D HNCO' 1 $sample_1 isotropic 11033 1 5 '3D HNCA' 1 $sample_1 isotropic 11033 1 6 '3D HN(CO)CA' 1 $sample_1 isotropic 11033 1 7 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11033 1 8 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11033 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11033 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 178.364 0.450 . 1 . . . . -4 MET C . 11033 1 2 . 1 1 2 2 GLY N N 15 110.824 0.450 . 1 . . . . -3 GLY N . 11033 1 3 . 1 1 2 2 GLY H H 1 8.620 0.040 . 1 . . . . -3 GLY H . 11033 1 4 . 1 1 2 2 GLY CA C 13 45.030 0.450 . 1 . . . . -3 GLY CA . 11033 1 5 . 1 1 2 2 GLY HA2 H 1 4.031 0.040 . 2 . . . . -3 GLY HA2 . 11033 1 6 . 1 1 2 2 GLY HA3 H 1 3.972 0.040 . 2 . . . . -3 GLY HA3 . 11033 1 7 . 1 1 2 2 GLY C C 13 174.599 0.450 . 1 . . . . -3 GLY C . 11033 1 8 . 1 1 3 3 SER N N 15 115.861 0.450 . 1 . . . . -2 SER N . 11033 1 9 . 1 1 3 3 SER H H 1 8.346 0.040 . 1 . . . . -2 SER H . 11033 1 10 . 1 1 3 3 SER CA C 13 58.498 0.450 . 1 . . . . -2 SER CA . 11033 1 11 . 1 1 3 3 SER HA H 1 4.439 0.040 . 1 . . . . -2 SER HA . 11033 1 12 . 1 1 3 3 SER CB C 13 63.709 0.450 . 1 . . . . -2 SER CB . 11033 1 13 . 1 1 3 3 SER HB2 H 1 3.856 0.040 . 2 . . . . -2 SER HB2 . 11033 1 14 . 1 1 3 3 SER HB3 H 1 3.856 0.040 . 2 . . . . -2 SER HB3 . 11033 1 15 . 1 1 4 4 SER N N 15 118.166 0.450 . 1 . . . . -1 SER N . 11033 1 16 . 1 1 4 4 SER H H 1 8.556 0.040 . 1 . . . . -1 SER H . 11033 1 17 . 1 1 4 4 SER CA C 13 58.166 0.450 . 1 . . . . -1 SER CA . 11033 1 18 . 1 1 4 4 SER HA H 1 4.416 0.040 . 1 . . . . -1 SER HA . 11033 1 19 . 1 1 4 4 SER CB C 13 63.823 0.450 . 1 . . . . -1 SER CB . 11033 1 20 . 1 1 4 4 SER HB2 H 1 3.758 0.040 . 2 . . . . -1 SER HB2 . 11033 1 21 . 1 1 4 4 SER HB3 H 1 3.758 0.040 . 2 . . . . -1 SER HB3 . 11033 1 22 . 1 1 4 4 SER C C 13 174.255 0.450 . 1 . . . . -1 SER C . 11033 1 23 . 1 1 5 5 HIS N N 15 120.378 0.450 . 1 . . . . 0 HIS N . 11033 1 24 . 1 1 5 5 HIS H H 1 8.522 0.040 . 1 . . . . 0 HIS H . 11033 1 25 . 1 1 5 5 HIS CA C 13 55.564 0.450 . 1 . . . . 0 HIS CA . 11033 1 26 . 1 1 5 5 HIS HA H 1 4.696 0.040 . 1 . . . . 0 HIS HA . 11033 1 27 . 1 1 5 5 HIS CB C 13 28.858 0.450 . 1 . . . . 0 HIS CB . 11033 1 28 . 1 1 5 5 HIS HB2 H 1 3.224 0.040 . 2 . . . . 0 HIS HB2 . 11033 1 29 . 1 1 5 5 HIS HB3 H 1 2.887 0.040 . 2 . . . . 0 HIS HB3 . 11033 1 30 . 1 1 5 5 HIS C C 13 174.225 0.450 . 1 . . . . 0 HIS C . 11033 1 31 . 1 1 6 6 HIS N N 15 120.171 0.450 . 1 . . . . 1 HIS N . 11033 1 32 . 1 1 6 6 HIS H H 1 8.642 0.040 . 1 . . . . 1 HIS H . 11033 1 33 . 1 1 6 6 HIS CA C 13 55.448 0.450 . 1 . . . . 1 HIS CA . 11033 1 34 . 1 1 6 6 HIS HA H 1 4.534 0.040 . 1 . . . . 1 HIS HA . 11033 1 35 . 1 1 6 6 HIS CB C 13 28.944 0.450 . 1 . . . . 1 HIS CB . 11033 1 36 . 1 1 6 6 HIS HB2 H 1 3.115 0.040 . 2 . . . . 1 HIS HB2 . 11033 1 37 . 1 1 6 6 HIS HB3 H 1 3.057 0.040 . 2 . . . . 1 HIS HB3 . 11033 1 38 . 1 1 6 6 HIS C C 13 174.226 0.450 . 1 . . . . 1 HIS C . 11033 1 39 . 1 1 7 7 HIS N N 15 120.672 0.450 . 1 . . . . 2 HIS N . 11033 1 40 . 1 1 7 7 HIS H H 1 8.816 0.040 . 1 . . . . 2 HIS H . 11033 1 41 . 1 1 7 7 HIS CA C 13 55.465 0.450 . 1 . . . . 2 HIS CA . 11033 1 42 . 1 1 7 7 HIS HA H 1 4.581 0.040 . 1 . . . . 2 HIS HA . 11033 1 43 . 1 1 7 7 HIS CB C 13 29.465 0.450 . 1 . . . . 2 HIS CB . 11033 1 44 . 1 1 7 7 HIS HB2 H 1 3.213 0.040 . 2 . . . . 2 HIS HB2 . 11033 1 45 . 1 1 7 7 HIS HB3 H 1 3.136 0.040 . 2 . . . . 2 HIS HB3 . 11033 1 46 . 1 1 7 7 HIS C C 13 174.384 0.450 . 1 . . . . 2 HIS C . 11033 1 47 . 1 1 8 8 HIS N N 15 120.934 0.450 . 1 . . . . 3 HIS N . 11033 1 48 . 1 1 8 8 HIS H H 1 8.890 0.040 . 1 . . . . 3 HIS H . 11033 1 49 . 1 1 8 8 HIS CA C 13 55.960 0.450 . 1 . . . . 3 HIS CA . 11033 1 50 . 1 1 8 8 HIS HA H 1 4.498 0.040 . 1 . . . . 3 HIS HA . 11033 1 51 . 1 1 8 8 HIS C C 13 174.511 0.450 . 1 . . . . 3 HIS C . 11033 1 52 . 1 1 9 9 HIS N N 15 121.246 0.450 . 1 . . . . 4 HIS N . 11033 1 53 . 1 1 9 9 HIS H H 1 8.884 0.040 . 1 . . . . 4 HIS H . 11033 1 54 . 1 1 9 9 HIS CA C 13 55.997 0.450 . 1 . . . . 4 HIS CA . 11033 1 55 . 1 1 9 9 HIS C C 13 174.588 0.450 . 1 . . . . 4 HIS C . 11033 1 56 . 1 1 10 10 HIS CA C 13 55.613 0.450 . 1 . . . . 5 HIS CA . 11033 1 57 . 1 1 10 10 HIS HA H 1 4.606 0.040 . 1 . . . . 5 HIS HA . 11033 1 58 . 1 1 10 10 HIS CB C 13 29.245 0.450 . 1 . . . . 5 HIS CB . 11033 1 59 . 1 1 10 10 HIS HB2 H 1 3.375 0.040 . 2 . . . . 5 HIS HB2 . 11033 1 60 . 1 1 10 10 HIS HB3 H 1 3.085 0.040 . 2 . . . . 5 HIS HB3 . 11033 1 61 . 1 1 10 10 HIS C C 13 174.603 0.450 . 1 . . . . 5 HIS C . 11033 1 62 . 1 1 11 11 SER N N 15 118.179 0.450 . 1 . . . . 6 SER N . 11033 1 63 . 1 1 11 11 SER H H 1 8.669 0.040 . 1 . . . . 6 SER H . 11033 1 64 . 1 1 11 11 SER CA C 13 58.146 0.450 . 1 . . . . 6 SER CA . 11033 1 65 . 1 1 11 11 SER HA H 1 4.452 0.040 . 1 . . . . 6 SER HA . 11033 1 66 . 1 1 11 11 SER CB C 13 63.634 0.450 . 1 . . . . 6 SER CB . 11033 1 67 . 1 1 11 11 SER HB2 H 1 3.807 0.040 . 2 . . . . 6 SER HB2 . 11033 1 68 . 1 1 11 11 SER HB3 H 1 3.807 0.040 . 2 . . . . 6 SER HB3 . 11033 1 69 . 1 1 11 11 SER C C 13 174.601 0.450 . 1 . . . . 6 SER C . 11033 1 70 . 1 1 12 12 SER N N 15 118.426 0.450 . 1 . . . . 7 SER N . 11033 1 71 . 1 1 12 12 SER H H 1 8.579 0.040 . 1 . . . . 7 SER H . 11033 1 72 . 1 1 12 12 SER CA C 13 58.693 0.450 . 1 . . . . 7 SER CA . 11033 1 73 . 1 1 12 12 SER HA H 1 4.414 0.040 . 1 . . . . 7 SER HA . 11033 1 74 . 1 1 12 12 SER CB C 13 63.853 0.450 . 1 . . . . 7 SER CB . 11033 1 75 . 1 1 12 12 SER HB2 H 1 3.854 0.040 . 2 . . . . 7 SER HB2 . 11033 1 76 . 1 1 12 12 SER HB3 H 1 3.854 0.040 . 2 . . . . 7 SER HB3 . 11033 1 77 . 1 1 12 12 SER C C 13 174.984 0.450 . 1 . . . . 7 SER C . 11033 1 78 . 1 1 13 13 GLY N N 15 110.653 0.450 . 1 . . . . 8 GLY N . 11033 1 79 . 1 1 13 13 GLY H H 1 8.447 0.040 . 1 . . . . 8 GLY H . 11033 1 80 . 1 1 13 13 GLY CA C 13 45.152 0.450 . 1 . . . . 8 GLY CA . 11033 1 81 . 1 1 13 13 GLY HA2 H 1 3.930 0.040 . 2 . . . . 8 GLY HA2 . 11033 1 82 . 1 1 13 13 GLY HA3 H 1 3.930 0.040 . 2 . . . . 8 GLY HA3 . 11033 1 83 . 1 1 13 13 GLY C C 13 173.657 0.450 . 1 . . . . 8 GLY C . 11033 1 84 . 1 1 14 14 LEU N N 15 121.635 0.450 . 1 . . . . 9 LEU N . 11033 1 85 . 1 1 14 14 LEU H H 1 8.052 0.040 . 1 . . . . 9 LEU H . 11033 1 86 . 1 1 14 14 LEU CA C 13 54.812 0.450 . 1 . . . . 9 LEU CA . 11033 1 87 . 1 1 14 14 LEU HA H 1 4.470 0.040 . 1 . . . . 9 LEU HA . 11033 1 88 . 1 1 14 14 LEU CB C 13 43.054 0.450 . 1 . . . . 9 LEU CB . 11033 1 89 . 1 1 14 14 LEU HB2 H 1 1.541 0.040 . 2 . . . . 9 LEU HB2 . 11033 1 90 . 1 1 14 14 LEU HB3 H 1 1.445 0.040 . 2 . . . . 9 LEU HB3 . 11033 1 91 . 1 1 14 14 LEU CG C 13 27.070 0.450 . 1 . . . . 9 LEU CG . 11033 1 92 . 1 1 14 14 LEU HG H 1 1.484 0.040 . 1 . . . . 9 LEU HG . 11033 1 93 . 1 1 14 14 LEU HD11 H 1 0.810 0.040 . 2 . . . . 9 LEU HD1 . 11033 1 94 . 1 1 14 14 LEU HD12 H 1 0.810 0.040 . 2 . . . . 9 LEU HD1 . 11033 1 95 . 1 1 14 14 LEU HD13 H 1 0.810 0.040 . 2 . . . . 9 LEU HD1 . 11033 1 96 . 1 1 14 14 LEU HD21 H 1 0.749 0.040 . 2 . . . . 9 LEU HD2 . 11033 1 97 . 1 1 14 14 LEU HD22 H 1 0.749 0.040 . 2 . . . . 9 LEU HD2 . 11033 1 98 . 1 1 14 14 LEU HD23 H 1 0.749 0.040 . 2 . . . . 9 LEU HD2 . 11033 1 99 . 1 1 14 14 LEU CD1 C 13 24.741 0.450 . 1 . . . . 9 LEU CD1 . 11033 1 100 . 1 1 14 14 LEU CD2 C 13 23.322 0.450 . 1 . . . . 9 LEU CD2 . 11033 1 101 . 1 1 14 14 LEU C C 13 177.040 0.450 . 1 . . . . 9 LEU C . 11033 1 102 . 1 1 15 15 VAL N N 15 122.033 0.450 . 1 . . . . 10 VAL N . 11033 1 103 . 1 1 15 15 VAL H H 1 8.395 0.040 . 1 . . . . 10 VAL H . 11033 1 104 . 1 1 15 15 VAL CA C 13 59.144 0.450 . 1 . . . . 10 VAL CA . 11033 1 105 . 1 1 15 15 VAL HA H 1 4.476 0.040 . 1 . . . . 10 VAL HA . 11033 1 106 . 1 1 15 15 VAL CB C 13 33.019 0.450 . 1 . . . . 10 VAL CB . 11033 1 107 . 1 1 15 15 VAL HB H 1 2.039 0.040 . 1 . . . . 10 VAL HB . 11033 1 108 . 1 1 15 15 VAL HG11 H 1 0.908 0.040 . 2 . . . . 10 VAL HG1 . 11033 1 109 . 1 1 15 15 VAL HG12 H 1 0.908 0.040 . 2 . . . . 10 VAL HG1 . 11033 1 110 . 1 1 15 15 VAL HG13 H 1 0.908 0.040 . 2 . . . . 10 VAL HG1 . 11033 1 111 . 1 1 15 15 VAL HG21 H 1 0.876 0.040 . 2 . . . . 10 VAL HG2 . 11033 1 112 . 1 1 15 15 VAL HG22 H 1 0.876 0.040 . 2 . . . . 10 VAL HG2 . 11033 1 113 . 1 1 15 15 VAL HG23 H 1 0.876 0.040 . 2 . . . . 10 VAL HG2 . 11033 1 114 . 1 1 15 15 VAL CG1 C 13 20.983 0.450 . 1 . . . . 10 VAL CG1 . 11033 1 115 . 1 1 15 15 VAL CG2 C 13 20.033 0.450 . 1 . . . . 10 VAL CG2 . 11033 1 116 . 1 1 15 15 VAL C C 13 174.224 0.450 . 1 . . . . 10 VAL C . 11033 1 117 . 1 1 16 16 PRO CD C 13 50.188 0.450 . 1 . . . . 11 PRO CD . 11033 1 118 . 1 1 16 16 PRO CA C 13 62.921 0.450 . 1 . . . . 11 PRO CA . 11033 1 119 . 1 1 16 16 PRO HA H 1 4.522 0.040 . 1 . . . . 11 PRO HA . 11033 1 120 . 1 1 16 16 PRO CB C 13 32.052 0.450 . 1 . . . . 11 PRO CB . 11033 1 121 . 1 1 16 16 PRO HB2 H 1 2.231 0.040 . 2 . . . . 11 PRO HB2 . 11033 1 122 . 1 1 16 16 PRO HB3 H 1 1.890 0.040 . 2 . . . . 11 PRO HB3 . 11033 1 123 . 1 1 16 16 PRO CG C 13 27.615 0.450 . 1 . . . . 11 PRO CG . 11033 1 124 . 1 1 16 16 PRO HD2 H 1 3.532 0.040 . 2 . . . . 11 PRO HD2 . 11033 1 125 . 1 1 16 16 PRO HD3 H 1 3.532 0.040 . 2 . . . . 11 PRO HD3 . 11033 1 126 . 1 1 16 16 PRO C C 13 176.854 0.450 . 1 . . . . 11 PRO C . 11033 1 127 . 1 1 17 17 ARG N N 15 122.104 0.450 . 1 . . . . 12 ARG N . 11033 1 128 . 1 1 17 17 ARG H H 1 8.647 0.040 . 1 . . . . 12 ARG H . 11033 1 129 . 1 1 17 17 ARG CA C 13 56.159 0.450 . 1 . . . . 12 ARG CA . 11033 1 130 . 1 1 17 17 ARG HA H 1 4.328 0.040 . 1 . . . . 12 ARG HA . 11033 1 131 . 1 1 17 17 ARG CB C 13 31.010 0.450 . 1 . . . . 12 ARG CB . 11033 1 132 . 1 1 17 17 ARG HB2 H 1 1.833 0.040 . 2 . . . . 12 ARG HB2 . 11033 1 133 . 1 1 17 17 ARG HB3 H 1 1.712 0.040 . 2 . . . . 12 ARG HB3 . 11033 1 134 . 1 1 17 17 ARG CG C 13 26.919 0.450 . 1 . . . . 12 ARG CG . 11033 1 135 . 1 1 17 17 ARG HG2 H 1 1.593 0.040 . 2 . . . . 12 ARG HG2 . 11033 1 136 . 1 1 17 17 ARG HG3 H 1 1.593 0.040 . 2 . . . . 12 ARG HG3 . 11033 1 137 . 1 1 17 17 ARG CD C 13 43.060 0.450 . 1 . . . . 12 ARG CD . 11033 1 138 . 1 1 17 17 ARG HD2 H 1 3.045 0.040 . 2 . . . . 12 ARG HD2 . 11033 1 139 . 1 1 17 17 ARG HD3 H 1 3.005 0.040 . 2 . . . . 12 ARG HD3 . 11033 1 140 . 1 1 17 17 ARG NE N 15 84.665 0.450 . 1 . . . . 12 ARG NE . 11033 1 141 . 1 1 17 17 ARG HE H 1 7.134 0.040 . 1 . . . . 12 ARG HE . 11033 1 142 . 1 1 17 17 ARG C C 13 176.857 0.450 . 1 . . . . 12 ARG C . 11033 1 143 . 1 1 18 18 GLY N N 15 110.266 0.450 . 1 . . . . 13 GLY N . 11033 1 144 . 1 1 18 18 GLY H H 1 8.458 0.040 . 1 . . . . 13 GLY H . 11033 1 145 . 1 1 18 18 GLY CA C 13 45.118 0.450 . 1 . . . . 13 GLY CA . 11033 1 146 . 1 1 18 18 GLY HA2 H 1 3.973 0.040 . 2 . . . . 13 GLY HA2 . 11033 1 147 . 1 1 18 18 GLY HA3 H 1 3.973 0.040 . 2 . . . . 13 GLY HA3 . 11033 1 148 . 1 1 18 18 GLY C C 13 173.825 0.450 . 1 . . . . 13 GLY C . 11033 1 149 . 1 1 19 19 SER N N 15 115.043 0.450 . 1 . . . . 14 SER N . 11033 1 150 . 1 1 19 19 SER H H 1 8.192 0.040 . 1 . . . . 14 SER H . 11033 1 151 . 1 1 19 19 SER CA C 13 58.277 0.450 . 1 . . . . 14 SER CA . 11033 1 152 . 1 1 19 19 SER HA H 1 4.394 0.040 . 1 . . . . 14 SER HA . 11033 1 153 . 1 1 19 19 SER CB C 13 63.998 0.450 . 1 . . . . 14 SER CB . 11033 1 154 . 1 1 19 19 SER HB2 H 1 3.746 0.040 . 2 . . . . 14 SER HB2 . 11033 1 155 . 1 1 19 19 SER HB3 H 1 3.746 0.040 . 2 . . . . 14 SER HB3 . 11033 1 156 . 1 1 19 19 SER C C 13 173.845 0.450 . 1 . . . . 14 SER C . 11033 1 157 . 1 1 20 20 HIS N N 15 119.531 0.450 . 1 . . . . 15 HIS N . 11033 1 158 . 1 1 20 20 HIS H H 1 8.503 0.040 . 1 . . . . 15 HIS H . 11033 1 159 . 1 1 20 20 HIS CA C 13 55.400 0.450 . 1 . . . . 15 HIS CA . 11033 1 160 . 1 1 20 20 HIS HA H 1 4.606 0.040 . 1 . . . . 15 HIS HA . 11033 1 161 . 1 1 20 20 HIS CB C 13 29.340 0.450 . 1 . . . . 15 HIS CB . 11033 1 162 . 1 1 20 20 HIS HB2 H 1 3.109 0.040 . 2 . . . . 15 HIS HB2 . 11033 1 163 . 1 1 20 20 HIS HB3 H 1 3.011 0.040 . 2 . . . . 15 HIS HB3 . 11033 1 164 . 1 1 20 20 HIS C C 13 174.145 0.450 . 1 . . . . 15 HIS C . 11033 1 165 . 1 1 21 21 MET N N 15 122.315 0.450 . 1 . . . . 16 MET N . 11033 1 166 . 1 1 21 21 MET H H 1 8.526 0.040 . 1 . . . . 16 MET H . 11033 1 167 . 1 1 21 21 MET CA C 13 55.058 0.450 . 1 . . . . 16 MET CA . 11033 1 168 . 1 1 21 21 MET HA H 1 4.595 0.040 . 1 . . . . 16 MET HA . 11033 1 169 . 1 1 21 21 MET CB C 13 33.437 0.450 . 1 . . . . 16 MET CB . 11033 1 170 . 1 1 21 21 MET HB2 H 1 2.084 0.040 . 2 . . . . 16 MET HB2 . 11033 1 171 . 1 1 21 21 MET HB3 H 1 2.084 0.040 . 2 . . . . 16 MET HB3 . 11033 1 172 . 1 1 21 21 MET CG C 13 32.198 0.450 . 1 . . . . 16 MET CG . 11033 1 173 . 1 1 21 21 MET HG2 H 1 2.556 0.040 . 2 . . . . 16 MET HG2 . 11033 1 174 . 1 1 21 21 MET HG3 H 1 2.556 0.040 . 2 . . . . 16 MET HG3 . 11033 1 175 . 1 1 21 21 MET C C 13 174.941 0.450 . 1 . . . . 16 MET C . 11033 1 176 . 1 1 22 22 SER N N 15 116.912 0.450 . 1 . . . . 17 SER N . 11033 1 177 . 1 1 22 22 SER H H 1 8.940 0.040 . 1 . . . . 17 SER H . 11033 1 178 . 1 1 22 22 SER CA C 13 56.382 0.450 . 1 . . . . 17 SER CA . 11033 1 179 . 1 1 22 22 SER HA H 1 4.835 0.040 . 1 . . . . 17 SER HA . 11033 1 180 . 1 1 22 22 SER CB C 13 65.786 0.450 . 1 . . . . 17 SER CB . 11033 1 181 . 1 1 22 22 SER HB2 H 1 4.031 0.040 . 2 . . . . 17 SER HB2 . 11033 1 182 . 1 1 22 22 SER HB3 H 1 3.807 0.040 . 2 . . . . 17 SER HB3 . 11033 1 183 . 1 1 22 22 SER C C 13 176.104 0.450 . 1 . . . . 17 SER C . 11033 1 184 . 1 1 23 23 VAL N N 15 122.089 0.450 . 1 . . . . 18 VAL N . 11033 1 185 . 1 1 23 23 VAL H H 1 8.915 0.040 . 1 . . . . 18 VAL H . 11033 1 186 . 1 1 23 23 VAL CA C 13 65.323 0.450 . 1 . . . . 18 VAL CA . 11033 1 187 . 1 1 23 23 VAL HA H 1 3.849 0.040 . 1 . . . . 18 VAL HA . 11033 1 188 . 1 1 23 23 VAL CB C 13 31.595 0.450 . 1 . . . . 18 VAL CB . 11033 1 189 . 1 1 23 23 VAL HB H 1 2.229 0.040 . 1 . . . . 18 VAL HB . 11033 1 190 . 1 1 23 23 VAL HG11 H 1 1.162 0.040 . 2 . . . . 18 VAL HG1 . 11033 1 191 . 1 1 23 23 VAL HG12 H 1 1.162 0.040 . 2 . . . . 18 VAL HG1 . 11033 1 192 . 1 1 23 23 VAL HG13 H 1 1.162 0.040 . 2 . . . . 18 VAL HG1 . 11033 1 193 . 1 1 23 23 VAL HG21 H 1 1.096 0.040 . 2 . . . . 18 VAL HG2 . 11033 1 194 . 1 1 23 23 VAL HG22 H 1 1.096 0.040 . 2 . . . . 18 VAL HG2 . 11033 1 195 . 1 1 23 23 VAL HG23 H 1 1.096 0.040 . 2 . . . . 18 VAL HG2 . 11033 1 196 . 1 1 23 23 VAL CG1 C 13 21.672 0.450 . 1 . . . . 18 VAL CG1 . 11033 1 197 . 1 1 23 23 VAL CG2 C 13 21.097 0.450 . 1 . . . . 18 VAL CG2 . 11033 1 198 . 1 1 23 23 VAL C C 13 177.420 0.450 . 1 . . . . 18 VAL C . 11033 1 199 . 1 1 24 24 ASP N N 15 119.257 0.450 . 1 . . . . 19 ASP N . 11033 1 200 . 1 1 24 24 ASP H H 1 8.024 0.040 . 1 . . . . 19 ASP H . 11033 1 201 . 1 1 24 24 ASP CA C 13 56.060 0.450 . 1 . . . . 19 ASP CA . 11033 1 202 . 1 1 24 24 ASP HA H 1 4.470 0.040 . 1 . . . . 19 ASP HA . 11033 1 203 . 1 1 24 24 ASP CB C 13 40.481 0.450 . 1 . . . . 19 ASP CB . 11033 1 204 . 1 1 24 24 ASP HB2 H 1 2.724 0.040 . 2 . . . . 19 ASP HB2 . 11033 1 205 . 1 1 24 24 ASP HB3 H 1 2.438 0.040 . 2 . . . . 19 ASP HB3 . 11033 1 206 . 1 1 24 24 ASP C C 13 176.284 0.450 . 1 . . . . 19 ASP C . 11033 1 207 . 1 1 25 25 ASP N N 15 116.233 0.450 . 1 . . . . 20 ASP N . 11033 1 208 . 1 1 25 25 ASP H H 1 7.806 0.040 . 1 . . . . 20 ASP H . 11033 1 209 . 1 1 25 25 ASP CA C 13 54.879 0.450 . 1 . . . . 20 ASP CA . 11033 1 210 . 1 1 25 25 ASP HA H 1 4.676 0.040 . 1 . . . . 20 ASP HA . 11033 1 211 . 1 1 25 25 ASP CB C 13 42.195 0.450 . 1 . . . . 20 ASP CB . 11033 1 212 . 1 1 25 25 ASP HB2 H 1 2.909 0.040 . 2 . . . . 20 ASP HB2 . 11033 1 213 . 1 1 25 25 ASP HB3 H 1 2.909 0.040 . 2 . . . . 20 ASP HB3 . 11033 1 214 . 1 1 25 25 ASP C C 13 176.776 0.450 . 1 . . . . 20 ASP C . 11033 1 215 . 1 1 26 26 ILE N N 15 122.755 0.450 . 1 . . . . 21 ILE N . 11033 1 216 . 1 1 26 26 ILE H H 1 7.468 0.040 . 1 . . . . 21 ILE H . 11033 1 217 . 1 1 26 26 ILE CA C 13 62.299 0.450 . 1 . . . . 21 ILE CA . 11033 1 218 . 1 1 26 26 ILE HA H 1 3.824 0.040 . 1 . . . . 21 ILE HA . 11033 1 219 . 1 1 26 26 ILE CB C 13 36.120 0.450 . 1 . . . . 21 ILE CB . 11033 1 220 . 1 1 26 26 ILE HB H 1 2.095 0.040 . 1 . . . . 21 ILE HB . 11033 1 221 . 1 1 26 26 ILE HG21 H 1 0.519 0.040 . 1 . . . . 21 ILE HG2 . 11033 1 222 . 1 1 26 26 ILE HG22 H 1 0.519 0.040 . 1 . . . . 21 ILE HG2 . 11033 1 223 . 1 1 26 26 ILE HG23 H 1 0.519 0.040 . 1 . . . . 21 ILE HG2 . 11033 1 224 . 1 1 26 26 ILE CG2 C 13 18.426 0.450 . 1 . . . . 21 ILE CG2 . 11033 1 225 . 1 1 26 26 ILE CG1 C 13 27.723 0.450 . 1 . . . . 21 ILE CG1 . 11033 1 226 . 1 1 26 26 ILE HG12 H 1 1.513 0.040 . 2 . . . . 21 ILE HG12 . 11033 1 227 . 1 1 26 26 ILE HG13 H 1 1.091 0.040 . 2 . . . . 21 ILE HG13 . 11033 1 228 . 1 1 26 26 ILE HD11 H 1 0.613 0.040 . 1 . . . . 21 ILE HD1 . 11033 1 229 . 1 1 26 26 ILE HD12 H 1 0.613 0.040 . 1 . . . . 21 ILE HD1 . 11033 1 230 . 1 1 26 26 ILE HD13 H 1 0.613 0.040 . 1 . . . . 21 ILE HD1 . 11033 1 231 . 1 1 26 26 ILE CD1 C 13 11.944 0.450 . 1 . . . . 21 ILE CD1 . 11033 1 232 . 1 1 26 26 ILE C C 13 174.597 0.450 . 1 . . . . 21 ILE C . 11033 1 233 . 1 1 27 27 ILE N N 15 120.336 0.450 . 1 . . . . 22 ILE N . 11033 1 234 . 1 1 27 27 ILE H H 1 7.044 0.040 . 1 . . . . 22 ILE H . 11033 1 235 . 1 1 27 27 ILE CA C 13 59.059 0.450 . 1 . . . . 22 ILE CA . 11033 1 236 . 1 1 27 27 ILE HA H 1 4.757 0.040 . 1 . . . . 22 ILE HA . 11033 1 237 . 1 1 27 27 ILE CB C 13 42.458 0.450 . 1 . . . . 22 ILE CB . 11033 1 238 . 1 1 27 27 ILE HB H 1 2.049 0.040 . 1 . . . . 22 ILE HB . 11033 1 239 . 1 1 27 27 ILE HG21 H 1 0.943 0.040 . 1 . . . . 22 ILE HG2 . 11033 1 240 . 1 1 27 27 ILE HG22 H 1 0.943 0.040 . 1 . . . . 22 ILE HG2 . 11033 1 241 . 1 1 27 27 ILE HG23 H 1 0.943 0.040 . 1 . . . . 22 ILE HG2 . 11033 1 242 . 1 1 27 27 ILE CG2 C 13 17.385 0.450 . 1 . . . . 22 ILE CG2 . 11033 1 243 . 1 1 27 27 ILE CG1 C 13 26.132 0.450 . 1 . . . . 22 ILE CG1 . 11033 1 244 . 1 1 27 27 ILE HG12 H 1 1.448 0.040 . 2 . . . . 22 ILE HG12 . 11033 1 245 . 1 1 27 27 ILE HG13 H 1 0.973 0.040 . 2 . . . . 22 ILE HG13 . 11033 1 246 . 1 1 27 27 ILE HD11 H 1 0.899 0.040 . 1 . . . . 22 ILE HD1 . 11033 1 247 . 1 1 27 27 ILE HD12 H 1 0.899 0.040 . 1 . . . . 22 ILE HD1 . 11033 1 248 . 1 1 27 27 ILE HD13 H 1 0.899 0.040 . 1 . . . . 22 ILE HD1 . 11033 1 249 . 1 1 27 27 ILE CD1 C 13 13.924 0.450 . 1 . . . . 22 ILE CD1 . 11033 1 250 . 1 1 27 27 ILE C C 13 175.545 0.450 . 1 . . . . 22 ILE C . 11033 1 251 . 1 1 28 28 ILE N N 15 120.094 0.450 . 1 . . . . 23 ILE N . 11033 1 252 . 1 1 28 28 ILE H H 1 8.166 0.040 . 1 . . . . 23 ILE H . 11033 1 253 . 1 1 28 28 ILE CA C 13 63.749 0.450 . 1 . . . . 23 ILE CA . 11033 1 254 . 1 1 28 28 ILE HA H 1 3.452 0.040 . 1 . . . . 23 ILE HA . 11033 1 255 . 1 1 28 28 ILE CB C 13 37.719 0.450 . 1 . . . . 23 ILE CB . 11033 1 256 . 1 1 28 28 ILE HB H 1 1.732 0.040 . 1 . . . . 23 ILE HB . 11033 1 257 . 1 1 28 28 ILE HG21 H 1 0.976 0.040 . 1 . . . . 23 ILE HG2 . 11033 1 258 . 1 1 28 28 ILE HG22 H 1 0.976 0.040 . 1 . . . . 23 ILE HG2 . 11033 1 259 . 1 1 28 28 ILE HG23 H 1 0.976 0.040 . 1 . . . . 23 ILE HG2 . 11033 1 260 . 1 1 28 28 ILE CG2 C 13 17.798 0.450 . 1 . . . . 23 ILE CG2 . 11033 1 261 . 1 1 28 28 ILE CG1 C 13 28.367 0.450 . 1 . . . . 23 ILE CG1 . 11033 1 262 . 1 1 28 28 ILE HG12 H 1 1.596 0.040 . 2 . . . . 23 ILE HG12 . 11033 1 263 . 1 1 28 28 ILE HG13 H 1 1.022 0.040 . 2 . . . . 23 ILE HG13 . 11033 1 264 . 1 1 28 28 ILE HD11 H 1 0.948 0.040 . 1 . . . . 23 ILE HD1 . 11033 1 265 . 1 1 28 28 ILE HD12 H 1 0.948 0.040 . 1 . . . . 23 ILE HD1 . 11033 1 266 . 1 1 28 28 ILE HD13 H 1 0.948 0.040 . 1 . . . . 23 ILE HD1 . 11033 1 267 . 1 1 28 28 ILE CD1 C 13 13.215 0.450 . 1 . . . . 23 ILE CD1 . 11033 1 268 . 1 1 28 28 ILE C C 13 176.099 0.450 . 1 . . . . 23 ILE C . 11033 1 269 . 1 1 29 29 LYS N N 15 116.074 0.450 . 1 . . . . 24 LYS N . 11033 1 270 . 1 1 29 29 LYS H H 1 8.978 0.040 . 1 . . . . 24 LYS H . 11033 1 271 . 1 1 29 29 LYS CA C 13 59.100 0.450 . 1 . . . . 24 LYS CA . 11033 1 272 . 1 1 29 29 LYS HA H 1 3.689 0.040 . 1 . . . . 24 LYS HA . 11033 1 273 . 1 1 29 29 LYS CB C 13 29.763 0.450 . 1 . . . . 24 LYS CB . 11033 1 274 . 1 1 29 29 LYS HB2 H 1 2.436 0.040 . 2 . . . . 24 LYS HB2 . 11033 1 275 . 1 1 29 29 LYS HB3 H 1 2.008 0.040 . 2 . . . . 24 LYS HB3 . 11033 1 276 . 1 1 29 29 LYS CG C 13 26.050 0.450 . 1 . . . . 24 LYS CG . 11033 1 277 . 1 1 29 29 LYS HG2 H 1 1.495 0.040 . 2 . . . . 24 LYS HG2 . 11033 1 278 . 1 1 29 29 LYS HG3 H 1 1.495 0.040 . 2 . . . . 24 LYS HG3 . 11033 1 279 . 1 1 29 29 LYS CD C 13 28.656 0.450 . 1 . . . . 24 LYS CD . 11033 1 280 . 1 1 29 29 LYS HD2 H 1 1.653 0.040 . 2 . . . . 24 LYS HD2 . 11033 1 281 . 1 1 29 29 LYS HD3 H 1 1.606 0.040 . 2 . . . . 24 LYS HD3 . 11033 1 282 . 1 1 29 29 LYS CE C 13 41.667 0.450 . 1 . . . . 24 LYS CE . 11033 1 283 . 1 1 29 29 LYS HE2 H 1 2.926 0.040 . 2 . . . . 24 LYS HE2 . 11033 1 284 . 1 1 29 29 LYS HE3 H 1 2.926 0.040 . 2 . . . . 24 LYS HE3 . 11033 1 285 . 1 1 29 29 LYS C C 13 177.259 0.450 . 1 . . . . 24 LYS C . 11033 1 286 . 1 1 30 30 CYS N N 15 115.747 0.450 . 1 . . . . 25 CYS N . 11033 1 287 . 1 1 30 30 CYS H H 1 7.815 0.040 . 1 . . . . 25 CYS H . 11033 1 288 . 1 1 30 30 CYS CA C 13 60.466 0.450 . 1 . . . . 25 CYS CA . 11033 1 289 . 1 1 30 30 CYS HA H 1 4.831 0.040 . 1 . . . . 25 CYS HA . 11033 1 290 . 1 1 30 30 CYS CB C 13 28.292 0.450 . 1 . . . . 25 CYS CB . 11033 1 291 . 1 1 30 30 CYS HB2 H 1 2.721 0.040 . 2 . . . . 25 CYS HB2 . 11033 1 292 . 1 1 30 30 CYS HB3 H 1 2.564 0.040 . 2 . . . . 25 CYS HB3 . 11033 1 293 . 1 1 30 30 CYS C C 13 173.271 0.450 . 1 . . . . 25 CYS C . 11033 1 294 . 1 1 31 31 GLN N N 15 117.650 0.450 . 1 . . . . 26 GLN N . 11033 1 295 . 1 1 31 31 GLN H H 1 8.513 0.040 . 1 . . . . 26 GLN H . 11033 1 296 . 1 1 31 31 GLN CA C 13 53.611 0.450 . 1 . . . . 26 GLN CA . 11033 1 297 . 1 1 31 31 GLN HA H 1 5.631 0.040 . 1 . . . . 26 GLN HA . 11033 1 298 . 1 1 31 31 GLN CB C 13 30.760 0.450 . 1 . . . . 26 GLN CB . 11033 1 299 . 1 1 31 31 GLN HB2 H 1 1.704 0.040 . 2 . . . . 26 GLN HB2 . 11033 1 300 . 1 1 31 31 GLN HB3 H 1 1.629 0.040 . 2 . . . . 26 GLN HB3 . 11033 1 301 . 1 1 31 31 GLN CG C 13 33.434 0.450 . 1 . . . . 26 GLN CG . 11033 1 302 . 1 1 31 31 GLN HG2 H 1 2.216 0.040 . 2 . . . . 26 GLN HG2 . 11033 1 303 . 1 1 31 31 GLN HG3 H 1 1.779 0.040 . 2 . . . . 26 GLN HG3 . 11033 1 304 . 1 1 31 31 GLN NE2 N 15 107.687 0.450 . 1 . . . . 26 GLN NE2 . 11033 1 305 . 1 1 31 31 GLN HE21 H 1 7.315 0.040 . 2 . . . . 26 GLN HE21 . 11033 1 306 . 1 1 31 31 GLN HE22 H 1 6.322 0.040 . 2 . . . . 26 GLN HE22 . 11033 1 307 . 1 1 31 31 GLN C C 13 174.975 0.450 . 1 . . . . 26 GLN C . 11033 1 308 . 1 1 32 32 CYS N N 15 117.873 0.450 . 1 . . . . 27 CYS N . 11033 1 309 . 1 1 32 32 CYS H H 1 9.061 0.040 . 1 . . . . 27 CYS H . 11033 1 310 . 1 1 32 32 CYS CA C 13 54.862 0.450 . 1 . . . . 27 CYS CA . 11033 1 311 . 1 1 32 32 CYS HA H 1 4.887 0.040 . 1 . . . . 27 CYS HA . 11033 1 312 . 1 1 32 32 CYS CB C 13 31.253 0.450 . 1 . . . . 27 CYS CB . 11033 1 313 . 1 1 32 32 CYS HB2 H 1 2.792 0.040 . 2 . . . . 27 CYS HB2 . 11033 1 314 . 1 1 32 32 CYS HB3 H 1 2.792 0.040 . 2 . . . . 27 CYS HB3 . 11033 1 315 . 1 1 32 32 CYS C C 13 171.243 0.450 . 1 . . . . 27 CYS C . 11033 1 316 . 1 1 33 33 TRP N N 15 124.043 0.450 . 1 . . . . 28 TRP N . 11033 1 317 . 1 1 33 33 TRP H H 1 9.634 0.040 . 1 . . . . 28 TRP H . 11033 1 318 . 1 1 33 33 TRP CA C 13 57.778 0.450 . 1 . . . . 28 TRP CA . 11033 1 319 . 1 1 33 33 TRP HA H 1 4.586 0.040 . 1 . . . . 28 TRP HA . 11033 1 320 . 1 1 33 33 TRP CB C 13 29.222 0.450 . 1 . . . . 28 TRP CB . 11033 1 321 . 1 1 33 33 TRP HB2 H 1 3.110 0.040 . 2 . . . . 28 TRP HB2 . 11033 1 322 . 1 1 33 33 TRP HB3 H 1 2.989 0.040 . 2 . . . . 28 TRP HB3 . 11033 1 323 . 1 1 33 33 TRP CE3 C 13 118.785 0.450 . 1 . . . . 28 TRP CE3 . 11033 1 324 . 1 1 33 33 TRP NE1 N 15 130.106 0.450 . 1 . . . . 28 TRP NE1 . 11033 1 325 . 1 1 33 33 TRP HE3 H 1 7.071 0.040 . 1 . . . . 28 TRP HE3 . 11033 1 326 . 1 1 33 33 TRP CZ3 C 13 122.068 0.450 . 1 . . . . 28 TRP CZ3 . 11033 1 327 . 1 1 33 33 TRP CZ2 C 13 114.870 0.450 . 1 . . . . 28 TRP CZ2 . 11033 1 328 . 1 1 33 33 TRP HE1 H 1 10.367 0.040 . 1 . . . . 28 TRP HE1 . 11033 1 329 . 1 1 33 33 TRP HZ3 H 1 7.091 0.040 . 1 . . . . 28 TRP HZ3 . 11033 1 330 . 1 1 33 33 TRP CH2 C 13 124.338 0.450 . 1 . . . . 28 TRP CH2 . 11033 1 331 . 1 1 33 33 TRP HZ2 H 1 7.460 0.040 . 1 . . . . 28 TRP HZ2 . 11033 1 332 . 1 1 33 33 TRP HH2 H 1 7.210 0.040 . 1 . . . . 28 TRP HH2 . 11033 1 333 . 1 1 33 33 TRP C C 13 175.157 0.450 . 1 . . . . 28 TRP C . 11033 1 334 . 1 1 34 34 VAL N N 15 122.749 0.450 . 1 . . . . 29 VAL N . 11033 1 335 . 1 1 34 34 VAL H H 1 9.097 0.040 . 1 . . . . 29 VAL H . 11033 1 336 . 1 1 34 34 VAL CA C 13 59.678 0.450 . 1 . . . . 29 VAL CA . 11033 1 337 . 1 1 34 34 VAL HA H 1 4.886 0.040 . 1 . . . . 29 VAL HA . 11033 1 338 . 1 1 34 34 VAL CB C 13 36.024 0.450 . 1 . . . . 29 VAL CB . 11033 1 339 . 1 1 34 34 VAL HB H 1 1.935 0.040 . 1 . . . . 29 VAL HB . 11033 1 340 . 1 1 34 34 VAL HG11 H 1 0.937 0.040 . 2 . . . . 29 VAL HG1 . 11033 1 341 . 1 1 34 34 VAL HG12 H 1 0.937 0.040 . 2 . . . . 29 VAL HG1 . 11033 1 342 . 1 1 34 34 VAL HG13 H 1 0.937 0.040 . 2 . . . . 29 VAL HG1 . 11033 1 343 . 1 1 34 34 VAL HG21 H 1 0.701 0.040 . 2 . . . . 29 VAL HG2 . 11033 1 344 . 1 1 34 34 VAL HG22 H 1 0.701 0.040 . 2 . . . . 29 VAL HG2 . 11033 1 345 . 1 1 34 34 VAL HG23 H 1 0.701 0.040 . 2 . . . . 29 VAL HG2 . 11033 1 346 . 1 1 34 34 VAL CG1 C 13 22.614 0.450 . 1 . . . . 29 VAL CG1 . 11033 1 347 . 1 1 34 34 VAL CG2 C 13 23.190 0.450 . 1 . . . . 29 VAL CG2 . 11033 1 348 . 1 1 34 34 VAL C C 13 175.723 0.450 . 1 . . . . 29 VAL C . 11033 1 349 . 1 1 35 35 GLN N N 15 125.952 0.450 . 1 . . . . 30 GLN N . 11033 1 350 . 1 1 35 35 GLN H H 1 9.037 0.040 . 1 . . . . 30 GLN H . 11033 1 351 . 1 1 35 35 GLN CA C 13 56.088 0.450 . 1 . . . . 30 GLN CA . 11033 1 352 . 1 1 35 35 GLN HA H 1 4.537 0.040 . 1 . . . . 30 GLN HA . 11033 1 353 . 1 1 35 35 GLN CB C 13 29.156 0.450 . 1 . . . . 30 GLN CB . 11033 1 354 . 1 1 35 35 GLN HB2 H 1 2.107 0.040 . 2 . . . . 30 GLN HB2 . 11033 1 355 . 1 1 35 35 GLN HB3 H 1 2.042 0.040 . 2 . . . . 30 GLN HB3 . 11033 1 356 . 1 1 35 35 GLN CG C 13 33.402 0.450 . 1 . . . . 30 GLN CG . 11033 1 357 . 1 1 35 35 GLN HG2 H 1 2.362 0.040 . 2 . . . . 30 GLN HG2 . 11033 1 358 . 1 1 35 35 GLN HG3 H 1 2.362 0.040 . 2 . . . . 30 GLN HG3 . 11033 1 359 . 1 1 35 35 GLN NE2 N 15 110.979 0.450 . 1 . . . . 30 GLN NE2 . 11033 1 360 . 1 1 35 35 GLN HE21 H 1 7.476 0.040 . 2 . . . . 30 GLN HE21 . 11033 1 361 . 1 1 35 35 GLN HE22 H 1 6.674 0.040 . 2 . . . . 30 GLN HE22 . 11033 1 362 . 1 1 35 35 GLN C C 13 175.155 0.450 . 1 . . . . 30 GLN C . 11033 1 363 . 1 1 36 36 LYS N N 15 128.905 0.450 . 1 . . . . 31 LYS N . 11033 1 364 . 1 1 36 36 LYS H H 1 8.877 0.040 . 1 . . . . 31 LYS H . 11033 1 365 . 1 1 36 36 LYS CA C 13 54.568 0.450 . 1 . . . . 31 LYS CA . 11033 1 366 . 1 1 36 36 LYS HA H 1 4.376 0.040 . 1 . . . . 31 LYS HA . 11033 1 367 . 1 1 36 36 LYS CB C 13 33.582 0.450 . 1 . . . . 31 LYS CB . 11033 1 368 . 1 1 36 36 LYS HB2 H 1 1.349 0.040 . 2 . . . . 31 LYS HB2 . 11033 1 369 . 1 1 36 36 LYS HB3 H 1 1.349 0.040 . 2 . . . . 31 LYS HB3 . 11033 1 370 . 1 1 36 36 LYS CG C 13 24.169 0.450 . 1 . . . . 31 LYS CG . 11033 1 371 . 1 1 36 36 LYS HG2 H 1 0.864 0.040 . 2 . . . . 31 LYS HG2 . 11033 1 372 . 1 1 36 36 LYS HG3 H 1 0.536 0.040 . 2 . . . . 31 LYS HG3 . 11033 1 373 . 1 1 36 36 LYS CD C 13 28.201 0.450 . 1 . . . . 31 LYS CD . 11033 1 374 . 1 1 36 36 LYS HD2 H 1 1.425 0.040 . 2 . . . . 31 LYS HD2 . 11033 1 375 . 1 1 36 36 LYS HD3 H 1 1.343 0.040 . 2 . . . . 31 LYS HD3 . 11033 1 376 . 1 1 36 36 LYS CE C 13 41.651 0.450 . 1 . . . . 31 LYS CE . 11033 1 377 . 1 1 36 36 LYS HE2 H 1 2.591 0.040 . 2 . . . . 31 LYS HE2 . 11033 1 378 . 1 1 36 36 LYS HE3 H 1 2.517 0.040 . 2 . . . . 31 LYS HE3 . 11033 1 379 . 1 1 36 36 LYS C C 13 174.257 0.450 . 1 . . . . 31 LYS C . 11033 1 380 . 1 1 37 37 ASN N N 15 125.555 0.450 . 1 . . . . 32 ASN N . 11033 1 381 . 1 1 37 37 ASN H H 1 9.467 0.040 . 1 . . . . 32 ASN H . 11033 1 382 . 1 1 37 37 ASN CA C 13 55.127 0.450 . 1 . . . . 32 ASN CA . 11033 1 383 . 1 1 37 37 ASN HA H 1 4.176 0.040 . 1 . . . . 32 ASN HA . 11033 1 384 . 1 1 37 37 ASN CB C 13 36.512 0.450 . 1 . . . . 32 ASN CB . 11033 1 385 . 1 1 37 37 ASN HB2 H 1 2.911 0.040 . 2 . . . . 32 ASN HB2 . 11033 1 386 . 1 1 37 37 ASN HB3 H 1 2.911 0.040 . 2 . . . . 32 ASN HB3 . 11033 1 387 . 1 1 37 37 ASN ND2 N 15 112.766 0.450 . 1 . . . . 32 ASN ND2 . 11033 1 388 . 1 1 37 37 ASN HD21 H 1 7.538 0.040 . 2 . . . . 32 ASN HD21 . 11033 1 389 . 1 1 37 37 ASN HD22 H 1 6.970 0.040 . 2 . . . . 32 ASN HD22 . 11033 1 390 . 1 1 37 37 ASN C C 13 174.350 0.450 . 1 . . . . 32 ASN C . 11033 1 391 . 1 1 38 38 ASP N N 15 117.875 0.450 . 1 . . . . 33 ASP N . 11033 1 392 . 1 1 38 38 ASP H H 1 8.613 0.040 . 1 . . . . 33 ASP H . 11033 1 393 . 1 1 38 38 ASP CA C 13 54.915 0.450 . 1 . . . . 33 ASP CA . 11033 1 394 . 1 1 38 38 ASP HA H 1 4.508 0.040 . 1 . . . . 33 ASP HA . 11033 1 395 . 1 1 38 38 ASP CB C 13 39.969 0.450 . 1 . . . . 33 ASP CB . 11033 1 396 . 1 1 38 38 ASP HB2 H 1 2.782 0.040 . 2 . . . . 33 ASP HB2 . 11033 1 397 . 1 1 38 38 ASP HB3 H 1 2.782 0.040 . 2 . . . . 33 ASP HB3 . 11033 1 398 . 1 1 38 38 ASP C C 13 174.602 0.450 . 1 . . . . 33 ASP C . 11033 1 399 . 1 1 39 39 GLU N N 15 118.612 0.450 . 1 . . . . 34 GLU N . 11033 1 400 . 1 1 39 39 GLU H H 1 7.866 0.040 . 1 . . . . 34 GLU H . 11033 1 401 . 1 1 39 39 GLU CA C 13 54.452 0.450 . 1 . . . . 34 GLU CA . 11033 1 402 . 1 1 39 39 GLU HA H 1 4.704 0.040 . 1 . . . . 34 GLU HA . 11033 1 403 . 1 1 39 39 GLU CB C 13 33.049 0.450 . 1 . . . . 34 GLU CB . 11033 1 404 . 1 1 39 39 GLU HB2 H 1 2.034 0.040 . 2 . . . . 34 GLU HB2 . 11033 1 405 . 1 1 39 39 GLU HB3 H 1 1.978 0.040 . 2 . . . . 34 GLU HB3 . 11033 1 406 . 1 1 39 39 GLU CG C 13 35.476 0.450 . 1 . . . . 34 GLU CG . 11033 1 407 . 1 1 39 39 GLU HG2 H 1 2.296 0.040 . 2 . . . . 34 GLU HG2 . 11033 1 408 . 1 1 39 39 GLU HG3 H 1 2.129 0.040 . 2 . . . . 34 GLU HG3 . 11033 1 409 . 1 1 39 39 GLU C C 13 174.595 0.450 . 1 . . . . 34 GLU C . 11033 1 410 . 1 1 40 40 GLU N N 15 119.963 0.450 . 1 . . . . 35 GLU N . 11033 1 411 . 1 1 40 40 GLU H H 1 8.422 0.040 . 1 . . . . 35 GLU H . 11033 1 412 . 1 1 40 40 GLU CA C 13 55.312 0.450 . 1 . . . . 35 GLU CA . 11033 1 413 . 1 1 40 40 GLU HA H 1 5.193 0.040 . 1 . . . . 35 GLU HA . 11033 1 414 . 1 1 40 40 GLU CB C 13 32.460 0.450 . 1 . . . . 35 GLU CB . 11033 1 415 . 1 1 40 40 GLU HB2 H 1 2.038 0.040 . 2 . . . . 35 GLU HB2 . 11033 1 416 . 1 1 40 40 GLU HB3 H 1 1.913 0.040 . 2 . . . . 35 GLU HB3 . 11033 1 417 . 1 1 40 40 GLU CG C 13 37.000 0.450 . 1 . . . . 35 GLU CG . 11033 1 418 . 1 1 40 40 GLU HG2 H 1 2.268 0.040 . 2 . . . . 35 GLU HG2 . 11033 1 419 . 1 1 40 40 GLU HG3 H 1 2.097 0.040 . 2 . . . . 35 GLU HG3 . 11033 1 420 . 1 1 40 40 GLU C C 13 176.107 0.450 . 1 . . . . 35 GLU C . 11033 1 421 . 1 1 41 41 ARG N N 15 122.368 0.450 . 1 . . . . 36 ARG N . 11033 1 422 . 1 1 41 41 ARG H H 1 9.466 0.040 . 1 . . . . 36 ARG H . 11033 1 423 . 1 1 41 41 ARG CA C 13 54.190 0.450 . 1 . . . . 36 ARG CA . 11033 1 424 . 1 1 41 41 ARG HA H 1 4.913 0.040 . 1 . . . . 36 ARG HA . 11033 1 425 . 1 1 41 41 ARG CB C 13 35.285 0.450 . 1 . . . . 36 ARG CB . 11033 1 426 . 1 1 41 41 ARG HB2 H 1 1.815 0.040 . 2 . . . . 36 ARG HB2 . 11033 1 427 . 1 1 41 41 ARG HB3 H 1 1.490 0.040 . 2 . . . . 36 ARG HB3 . 11033 1 428 . 1 1 41 41 ARG CG C 13 26.664 0.450 . 1 . . . . 36 ARG CG . 11033 1 429 . 1 1 41 41 ARG HG2 H 1 1.615 0.040 . 2 . . . . 36 ARG HG2 . 11033 1 430 . 1 1 41 41 ARG HG3 H 1 1.347 0.040 . 2 . . . . 36 ARG HG3 . 11033 1 431 . 1 1 41 41 ARG CD C 13 42.987 0.450 . 1 . . . . 36 ARG CD . 11033 1 432 . 1 1 41 41 ARG HD2 H 1 2.228 0.040 . 2 . . . . 36 ARG HD2 . 11033 1 433 . 1 1 41 41 ARG HD3 H 1 1.821 0.040 . 2 . . . . 36 ARG HD3 . 11033 1 434 . 1 1 41 41 ARG NE N 15 84.949 0.450 . 1 . . . . 36 ARG NE . 11033 1 435 . 1 1 41 41 ARG HE H 1 7.276 0.040 . 1 . . . . 36 ARG HE . 11033 1 436 . 1 1 41 41 ARG C C 13 174.208 0.450 . 1 . . . . 36 ARG C . 11033 1 437 . 1 1 42 42 LEU N N 15 125.949 0.450 . 1 . . . . 37 LEU N . 11033 1 438 . 1 1 42 42 LEU H H 1 7.983 0.040 . 1 . . . . 37 LEU H . 11033 1 439 . 1 1 42 42 LEU CA C 13 54.818 0.450 . 1 . . . . 37 LEU CA . 11033 1 440 . 1 1 42 42 LEU HA H 1 3.464 0.040 . 1 . . . . 37 LEU HA . 11033 1 441 . 1 1 42 42 LEU CB C 13 41.633 0.450 . 1 . . . . 37 LEU CB . 11033 1 442 . 1 1 42 42 LEU HB2 H 1 1.162 0.040 . 2 . . . . 37 LEU HB2 . 11033 1 443 . 1 1 42 42 LEU HB3 H 1 0.045 0.040 . 2 . . . . 37 LEU HB3 . 11033 1 444 . 1 1 42 42 LEU CG C 13 25.818 0.450 . 1 . . . . 37 LEU CG . 11033 1 445 . 1 1 42 42 LEU HG H 1 0.703 0.040 . 1 . . . . 37 LEU HG . 11033 1 446 . 1 1 42 42 LEU HD11 H 1 0.433 0.040 . 2 . . . . 37 LEU HD1 . 11033 1 447 . 1 1 42 42 LEU HD12 H 1 0.433 0.040 . 2 . . . . 37 LEU HD1 . 11033 1 448 . 1 1 42 42 LEU HD13 H 1 0.433 0.040 . 2 . . . . 37 LEU HD1 . 11033 1 449 . 1 1 42 42 LEU HD21 H 1 -0.185 0.040 . 2 . . . . 37 LEU HD2 . 11033 1 450 . 1 1 42 42 LEU HD22 H 1 -0.185 0.040 . 2 . . . . 37 LEU HD2 . 11033 1 451 . 1 1 42 42 LEU HD23 H 1 -0.185 0.040 . 2 . . . . 37 LEU HD2 . 11033 1 452 . 1 1 42 42 LEU CD1 C 13 25.251 0.450 . 1 . . . . 37 LEU CD1 . 11033 1 453 . 1 1 42 42 LEU CD2 C 13 21.311 0.450 . 1 . . . . 37 LEU CD2 . 11033 1 454 . 1 1 42 42 LEU C C 13 175.919 0.450 . 1 . . . . 37 LEU C . 11033 1 455 . 1 1 43 43 ALA N N 15 131.709 0.450 . 1 . . . . 38 ALA N . 11033 1 456 . 1 1 43 43 ALA H H 1 9.468 0.040 . 1 . . . . 38 ALA H . 11033 1 457 . 1 1 43 43 ALA CA C 13 50.017 0.450 . 1 . . . . 38 ALA CA . 11033 1 458 . 1 1 43 43 ALA HA H 1 5.019 0.040 . 1 . . . . 38 ALA HA . 11033 1 459 . 1 1 43 43 ALA HB1 H 1 0.815 0.040 . 1 . . . . 38 ALA HB . 11033 1 460 . 1 1 43 43 ALA HB2 H 1 0.815 0.040 . 1 . . . . 38 ALA HB . 11033 1 461 . 1 1 43 43 ALA HB3 H 1 0.815 0.040 . 1 . . . . 38 ALA HB . 11033 1 462 . 1 1 43 43 ALA CB C 13 22.437 0.450 . 1 . . . . 38 ALA CB . 11033 1 463 . 1 1 43 43 ALA C C 13 174.409 0.450 . 1 . . . . 38 ALA C . 11033 1 464 . 1 1 44 44 GLU N N 15 120.351 0.450 . 1 . . . . 39 GLU N . 11033 1 465 . 1 1 44 44 GLU H H 1 9.176 0.040 . 1 . . . . 39 GLU H . 11033 1 466 . 1 1 44 44 GLU CA C 13 53.828 0.450 . 1 . . . . 39 GLU CA . 11033 1 467 . 1 1 44 44 GLU HA H 1 4.915 0.040 . 1 . . . . 39 GLU HA . 11033 1 468 . 1 1 44 44 GLU CB C 13 33.301 0.450 . 1 . . . . 39 GLU CB . 11033 1 469 . 1 1 44 44 GLU HB2 H 1 1.667 0.040 . 2 . . . . 39 GLU HB2 . 11033 1 470 . 1 1 44 44 GLU HB3 H 1 1.871 0.040 . 2 . . . . 39 GLU HB3 . 11033 1 471 . 1 1 44 44 GLU CG C 13 36.931 0.450 . 1 . . . . 39 GLU CG . 11033 1 472 . 1 1 44 44 GLU HG2 H 1 1.896 0.040 . 2 . . . . 39 GLU HG2 . 11033 1 473 . 1 1 44 44 GLU HG3 H 1 1.846 0.040 . 2 . . . . 39 GLU HG3 . 11033 1 474 . 1 1 44 44 GLU C C 13 175.724 0.450 . 1 . . . . 39 GLU C . 11033 1 475 . 1 1 45 45 ILE N N 15 124.017 0.450 . 1 . . . . 40 ILE N . 11033 1 476 . 1 1 45 45 ILE H H 1 8.386 0.040 . 1 . . . . 40 ILE H . 11033 1 477 . 1 1 45 45 ILE CA C 13 59.714 0.450 . 1 . . . . 40 ILE CA . 11033 1 478 . 1 1 45 45 ILE HA H 1 3.855 0.040 . 1 . . . . 40 ILE HA . 11033 1 479 . 1 1 45 45 ILE CB C 13 35.329 0.450 . 1 . . . . 40 ILE CB . 11033 1 480 . 1 1 45 45 ILE HB H 1 2.179 0.040 . 1 . . . . 40 ILE HB . 11033 1 481 . 1 1 45 45 ILE HG21 H 1 0.713 0.040 . 1 . . . . 40 ILE HG2 . 11033 1 482 . 1 1 45 45 ILE HG22 H 1 0.713 0.040 . 1 . . . . 40 ILE HG2 . 11033 1 483 . 1 1 45 45 ILE HG23 H 1 0.713 0.040 . 1 . . . . 40 ILE HG2 . 11033 1 484 . 1 1 45 45 ILE CG2 C 13 18.586 0.450 . 1 . . . . 40 ILE CG2 . 11033 1 485 . 1 1 45 45 ILE CG1 C 13 26.669 0.450 . 1 . . . . 40 ILE CG1 . 11033 1 486 . 1 1 45 45 ILE HG12 H 1 1.346 0.040 . 2 . . . . 40 ILE HG12 . 11033 1 487 . 1 1 45 45 ILE HG13 H 1 0.959 0.040 . 2 . . . . 40 ILE HG13 . 11033 1 488 . 1 1 45 45 ILE HD11 H 1 0.261 0.040 . 1 . . . . 40 ILE HD1 . 11033 1 489 . 1 1 45 45 ILE HD12 H 1 0.261 0.040 . 1 . . . . 40 ILE HD1 . 11033 1 490 . 1 1 45 45 ILE HD13 H 1 0.261 0.040 . 1 . . . . 40 ILE HD1 . 11033 1 491 . 1 1 45 45 ILE CD1 C 13 9.465 0.450 . 1 . . . . 40 ILE CD1 . 11033 1 492 . 1 1 45 45 ILE C C 13 175.908 0.450 . 1 . . . . 40 ILE C . 11033 1 493 . 1 1 46 46 LEU N N 15 129.284 0.450 . 1 . . . . 41 LEU N . 11033 1 494 . 1 1 46 46 LEU H H 1 9.445 0.040 . 1 . . . . 41 LEU H . 11033 1 495 . 1 1 46 46 LEU CA C 13 55.660 0.450 . 1 . . . . 41 LEU CA . 11033 1 496 . 1 1 46 46 LEU HA H 1 4.515 0.040 . 1 . . . . 41 LEU HA . 11033 1 497 . 1 1 46 46 LEU CB C 13 43.561 0.450 . 1 . . . . 41 LEU CB . 11033 1 498 . 1 1 46 46 LEU HB2 H 1 1.641 0.040 . 2 . . . . 41 LEU HB2 . 11033 1 499 . 1 1 46 46 LEU HB3 H 1 1.486 0.040 . 2 . . . . 41 LEU HB3 . 11033 1 500 . 1 1 46 46 LEU CG C 13 26.860 0.450 . 1 . . . . 41 LEU CG . 11033 1 501 . 1 1 46 46 LEU HG H 1 1.510 0.040 . 1 . . . . 41 LEU HG . 11033 1 502 . 1 1 46 46 LEU HD11 H 1 0.615 0.040 . 2 . . . . 41 LEU HD1 . 11033 1 503 . 1 1 46 46 LEU HD12 H 1 0.615 0.040 . 2 . . . . 41 LEU HD1 . 11033 1 504 . 1 1 46 46 LEU HD13 H 1 0.615 0.040 . 2 . . . . 41 LEU HD1 . 11033 1 505 . 1 1 46 46 LEU HD21 H 1 0.672 0.040 . 2 . . . . 41 LEU HD2 . 11033 1 506 . 1 1 46 46 LEU HD22 H 1 0.672 0.040 . 2 . . . . 41 LEU HD2 . 11033 1 507 . 1 1 46 46 LEU HD23 H 1 0.672 0.040 . 2 . . . . 41 LEU HD2 . 11033 1 508 . 1 1 46 46 LEU CD1 C 13 25.646 0.450 . 1 . . . . 41 LEU CD1 . 11033 1 509 . 1 1 46 46 LEU CD2 C 13 21.991 0.450 . 1 . . . . 41 LEU CD2 . 11033 1 510 . 1 1 46 46 LEU C C 13 177.641 0.450 . 1 . . . . 41 LEU C . 11033 1 511 . 1 1 47 47 SER N N 15 110.492 0.450 . 1 . . . . 42 SER N . 11033 1 512 . 1 1 47 47 SER H H 1 7.659 0.040 . 1 . . . . 42 SER H . 11033 1 513 . 1 1 47 47 SER CA C 13 57.757 0.450 . 1 . . . . 42 SER CA . 11033 1 514 . 1 1 47 47 SER HA H 1 4.508 0.040 . 1 . . . . 42 SER HA . 11033 1 515 . 1 1 47 47 SER CB C 13 64.871 0.450 . 1 . . . . 42 SER CB . 11033 1 516 . 1 1 47 47 SER HB2 H 1 3.656 0.040 . 2 . . . . 42 SER HB2 . 11033 1 517 . 1 1 47 47 SER HB3 H 1 3.573 0.040 . 2 . . . . 42 SER HB3 . 11033 1 518 . 1 1 47 47 SER C C 13 172.140 0.450 . 1 . . . . 42 SER C . 11033 1 519 . 1 1 48 48 ILE N N 15 123.439 0.450 . 1 . . . . 43 ILE N . 11033 1 520 . 1 1 48 48 ILE H H 1 8.585 0.040 . 1 . . . . 43 ILE H . 11033 1 521 . 1 1 48 48 ILE CA C 13 61.360 0.450 . 1 . . . . 43 ILE CA . 11033 1 522 . 1 1 48 48 ILE HA H 1 4.645 0.040 . 1 . . . . 43 ILE HA . 11033 1 523 . 1 1 48 48 ILE CB C 13 41.569 0.450 . 1 . . . . 43 ILE CB . 11033 1 524 . 1 1 48 48 ILE HB H 1 1.639 0.040 . 1 . . . . 43 ILE HB . 11033 1 525 . 1 1 48 48 ILE HG21 H 1 0.652 0.040 . 1 . . . . 43 ILE HG2 . 11033 1 526 . 1 1 48 48 ILE HG22 H 1 0.652 0.040 . 1 . . . . 43 ILE HG2 . 11033 1 527 . 1 1 48 48 ILE HG23 H 1 0.652 0.040 . 1 . . . . 43 ILE HG2 . 11033 1 528 . 1 1 48 48 ILE CG2 C 13 17.159 0.450 . 1 . . . . 43 ILE CG2 . 11033 1 529 . 1 1 48 48 ILE CG1 C 13 27.260 0.450 . 1 . . . . 43 ILE CG1 . 11033 1 530 . 1 1 48 48 ILE HG12 H 1 1.351 0.040 . 2 . . . . 43 ILE HG12 . 11033 1 531 . 1 1 48 48 ILE HG13 H 1 0.942 0.040 . 2 . . . . 43 ILE HG13 . 11033 1 532 . 1 1 48 48 ILE HD11 H 1 0.863 0.040 . 1 . . . . 43 ILE HD1 . 11033 1 533 . 1 1 48 48 ILE HD12 H 1 0.863 0.040 . 1 . . . . 43 ILE HD1 . 11033 1 534 . 1 1 48 48 ILE HD13 H 1 0.863 0.040 . 1 . . . . 43 ILE HD1 . 11033 1 535 . 1 1 48 48 ILE CD1 C 13 13.956 0.450 . 1 . . . . 43 ILE CD1 . 11033 1 536 . 1 1 48 48 ILE C C 13 174.984 0.450 . 1 . . . . 43 ILE C . 11033 1 537 . 1 1 49 49 ASN N N 15 125.458 0.450 . 1 . . . . 44 ASN N . 11033 1 538 . 1 1 49 49 ASN H H 1 9.157 0.040 . 1 . . . . 44 ASN H . 11033 1 539 . 1 1 49 49 ASN CA C 13 51.609 0.450 . 1 . . . . 44 ASN CA . 11033 1 540 . 1 1 49 49 ASN HA H 1 5.124 0.040 . 1 . . . . 44 ASN HA . 11033 1 541 . 1 1 49 49 ASN CB C 13 39.136 0.450 . 1 . . . . 44 ASN CB . 11033 1 542 . 1 1 49 49 ASN HB2 H 1 2.681 0.040 . 2 . . . . 44 ASN HB2 . 11033 1 543 . 1 1 49 49 ASN HB3 H 1 2.524 0.040 . 2 . . . . 44 ASN HB3 . 11033 1 544 . 1 1 49 49 ASN ND2 N 15 109.781 0.450 . 1 . . . . 44 ASN ND2 . 11033 1 545 . 1 1 49 49 ASN HD21 H 1 6.967 0.040 . 2 . . . . 44 ASN HD21 . 11033 1 546 . 1 1 49 49 ASN HD22 H 1 6.612 0.040 . 2 . . . . 44 ASN HD22 . 11033 1 547 . 1 1 49 49 ASN C C 13 175.920 0.450 . 1 . . . . 44 ASN C . 11033 1 548 . 1 1 50 50 THR N N 15 115.240 0.450 . 1 . . . . 45 THR N . 11033 1 549 . 1 1 50 50 THR H H 1 8.731 0.040 . 1 . . . . 45 THR H . 11033 1 550 . 1 1 50 50 THR CA C 13 60.770 0.450 . 1 . . . . 45 THR CA . 11033 1 551 . 1 1 50 50 THR HA H 1 4.374 0.040 . 1 . . . . 45 THR HA . 11033 1 552 . 1 1 50 50 THR CB C 13 68.265 0.450 . 1 . . . . 45 THR CB . 11033 1 553 . 1 1 50 50 THR HB H 1 4.574 0.040 . 1 . . . . 45 THR HB . 11033 1 554 . 1 1 50 50 THR HG21 H 1 1.124 0.040 . 1 . . . . 45 THR HG2 . 11033 1 555 . 1 1 50 50 THR HG22 H 1 1.124 0.040 . 1 . . . . 45 THR HG2 . 11033 1 556 . 1 1 50 50 THR HG23 H 1 1.124 0.040 . 1 . . . . 45 THR HG2 . 11033 1 557 . 1 1 50 50 THR CG2 C 13 21.630 0.450 . 1 . . . . 45 THR CG2 . 11033 1 558 . 1 1 50 50 THR C C 13 175.165 0.450 . 1 . . . . 45 THR C . 11033 1 559 . 1 1 51 51 ARG N N 15 122.196 0.450 . 1 . . . . 46 ARG N . 11033 1 560 . 1 1 51 51 ARG H H 1 8.263 0.040 . 1 . . . . 46 ARG H . 11033 1 561 . 1 1 51 51 ARG CA C 13 58.224 0.450 . 1 . . . . 46 ARG CA . 11033 1 562 . 1 1 51 51 ARG HA H 1 4.023 0.040 . 1 . . . . 46 ARG HA . 11033 1 563 . 1 1 51 51 ARG CB C 13 29.613 0.450 . 1 . . . . 46 ARG CB . 11033 1 564 . 1 1 51 51 ARG HB2 H 1 1.862 0.040 . 2 . . . . 46 ARG HB2 . 11033 1 565 . 1 1 51 51 ARG HB3 H 1 1.823 0.040 . 2 . . . . 46 ARG HB3 . 11033 1 566 . 1 1 51 51 ARG CG C 13 27.467 0.450 . 1 . . . . 46 ARG CG . 11033 1 567 . 1 1 51 51 ARG HG2 H 1 1.695 0.040 . 2 . . . . 46 ARG HG2 . 11033 1 568 . 1 1 51 51 ARG HG3 H 1 1.591 0.040 . 2 . . . . 46 ARG HG3 . 11033 1 569 . 1 1 51 51 ARG CD C 13 42.893 0.450 . 1 . . . . 46 ARG CD . 11033 1 570 . 1 1 51 51 ARG HD2 H 1 3.151 0.040 . 2 . . . . 46 ARG HD2 . 11033 1 571 . 1 1 51 51 ARG HD3 H 1 3.151 0.040 . 2 . . . . 46 ARG HD3 . 11033 1 572 . 1 1 51 51 ARG NE N 15 84.651 0.450 . 1 . . . . 46 ARG NE . 11033 1 573 . 1 1 51 51 ARG HE H 1 7.246 0.040 . 1 . . . . 46 ARG HE . 11033 1 574 . 1 1 51 51 ARG C C 13 176.761 0.450 . 1 . . . . 46 ARG C . 11033 1 575 . 1 1 52 52 LYS N N 15 116.607 0.450 . 1 . . . . 47 LYS N . 11033 1 576 . 1 1 52 52 LYS H H 1 7.204 0.040 . 1 . . . . 47 LYS H . 11033 1 577 . 1 1 52 52 LYS CA C 13 53.810 0.450 . 1 . . . . 47 LYS CA . 11033 1 578 . 1 1 52 52 LYS HA H 1 4.307 0.040 . 1 . . . . 47 LYS HA . 11033 1 579 . 1 1 52 52 LYS CB C 13 34.671 0.450 . 1 . . . . 47 LYS CB . 11033 1 580 . 1 1 52 52 LYS HB2 H 1 1.668 0.040 . 2 . . . . 47 LYS HB2 . 11033 1 581 . 1 1 52 52 LYS HB3 H 1 1.458 0.040 . 2 . . . . 47 LYS HB3 . 11033 1 582 . 1 1 52 52 LYS CG C 13 24.600 0.450 . 1 . . . . 47 LYS CG . 11033 1 583 . 1 1 52 52 LYS HG2 H 1 1.205 0.040 . 2 . . . . 47 LYS HG2 . 11033 1 584 . 1 1 52 52 LYS HG3 H 1 1.205 0.040 . 2 . . . . 47 LYS HG3 . 11033 1 585 . 1 1 52 52 LYS CD C 13 28.501 0.450 . 1 . . . . 47 LYS CD . 11033 1 586 . 1 1 52 52 LYS HD2 H 1 1.565 0.040 . 2 . . . . 47 LYS HD2 . 11033 1 587 . 1 1 52 52 LYS HD3 H 1 1.502 0.040 . 2 . . . . 47 LYS HD3 . 11033 1 588 . 1 1 52 52 LYS CE C 13 41.669 0.450 . 1 . . . . 47 LYS CE . 11033 1 589 . 1 1 52 52 LYS HE2 H 1 2.832 0.040 . 2 . . . . 47 LYS HE2 . 11033 1 590 . 1 1 52 52 LYS HE3 H 1 2.832 0.040 . 2 . . . . 47 LYS HE3 . 11033 1 591 . 1 1 52 52 LYS C C 13 173.661 0.450 . 1 . . . . 47 LYS C . 11033 1 592 . 1 1 53 53 ALA N N 15 123.563 0.450 . 1 . . . . 48 ALA N . 11033 1 593 . 1 1 53 53 ALA H H 1 8.115 0.040 . 1 . . . . 48 ALA H . 11033 1 594 . 1 1 53 53 ALA CA C 13 48.952 0.450 . 1 . . . . 48 ALA CA . 11033 1 595 . 1 1 53 53 ALA HA H 1 4.362 0.040 . 1 . . . . 48 ALA HA . 11033 1 596 . 1 1 53 53 ALA HB1 H 1 1.235 0.040 . 1 . . . . 48 ALA HB . 11033 1 597 . 1 1 53 53 ALA HB2 H 1 1.235 0.040 . 1 . . . . 48 ALA HB . 11033 1 598 . 1 1 53 53 ALA HB3 H 1 1.235 0.040 . 1 . . . . 48 ALA HB . 11033 1 599 . 1 1 53 53 ALA CB C 13 19.604 0.450 . 1 . . . . 48 ALA CB . 11033 1 600 . 1 1 53 53 ALA C C 13 175.910 0.450 . 1 . . . . 48 ALA C . 11033 1 601 . 1 1 54 54 PRO CD C 13 50.298 0.450 . 1 . . . . 49 PRO CD . 11033 1 602 . 1 1 54 54 PRO CA C 13 61.910 0.450 . 1 . . . . 49 PRO CA . 11033 1 603 . 1 1 54 54 PRO HA H 1 4.926 0.040 . 1 . . . . 49 PRO HA . 11033 1 604 . 1 1 54 54 PRO CB C 13 32.735 0.450 . 1 . . . . 49 PRO CB . 11033 1 605 . 1 1 54 54 PRO HB2 H 1 2.543 0.040 . 2 . . . . 49 PRO HB2 . 11033 1 606 . 1 1 54 54 PRO HB3 H 1 2.287 0.040 . 2 . . . . 49 PRO HB3 . 11033 1 607 . 1 1 54 54 PRO CG C 13 25.048 0.450 . 1 . . . . 49 PRO CG . 11033 1 608 . 1 1 54 54 PRO HG2 H 1 1.949 0.040 . 2 . . . . 49 PRO HG2 . 11033 1 609 . 1 1 54 54 PRO HG3 H 1 1.994 0.040 . 2 . . . . 49 PRO HG3 . 11033 1 610 . 1 1 54 54 PRO HD2 H 1 3.661 0.040 . 2 . . . . 49 PRO HD2 . 11033 1 611 . 1 1 54 54 PRO HD3 H 1 3.775 0.040 . 2 . . . . 49 PRO HD3 . 11033 1 612 . 1 1 55 55 PRO CD C 13 50.934 0.450 . 1 . . . . 50 PRO CD . 11033 1 613 . 1 1 55 55 PRO CA C 13 62.885 0.450 . 1 . . . . 50 PRO CA . 11033 1 614 . 1 1 55 55 PRO HA H 1 4.506 0.040 . 1 . . . . 50 PRO HA . 11033 1 615 . 1 1 55 55 PRO CB C 13 32.383 0.450 . 1 . . . . 50 PRO CB . 11033 1 616 . 1 1 55 55 PRO HB2 H 1 1.962 0.040 . 2 . . . . 50 PRO HB2 . 11033 1 617 . 1 1 55 55 PRO HB3 H 1 1.374 0.040 . 2 . . . . 50 PRO HB3 . 11033 1 618 . 1 1 55 55 PRO CG C 13 27.233 0.450 . 1 . . . . 50 PRO CG . 11033 1 619 . 1 1 55 55 PRO HG2 H 1 2.021 0.040 . 2 . . . . 50 PRO HG2 . 11033 1 620 . 1 1 55 55 PRO HG3 H 1 1.922 0.040 . 2 . . . . 50 PRO HG3 . 11033 1 621 . 1 1 55 55 PRO HD2 H 1 3.794 0.040 . 2 . . . . 50 PRO HD2 . 11033 1 622 . 1 1 55 55 PRO HD3 H 1 3.651 0.040 . 2 . . . . 50 PRO HD3 . 11033 1 623 . 1 1 55 55 PRO C C 13 175.537 0.450 . 1 . . . . 50 PRO C . 11033 1 624 . 1 1 56 56 LYS N N 15 114.985 0.450 . 1 . . . . 51 LYS N . 11033 1 625 . 1 1 56 56 LYS H H 1 7.443 0.040 . 1 . . . . 51 LYS H . 11033 1 626 . 1 1 56 56 LYS CA C 13 54.517 0.450 . 1 . . . . 51 LYS CA . 11033 1 627 . 1 1 56 56 LYS HA H 1 5.150 0.040 . 1 . . . . 51 LYS HA . 11033 1 628 . 1 1 56 56 LYS CB C 13 37.338 0.450 . 1 . . . . 51 LYS CB . 11033 1 629 . 1 1 56 56 LYS HB2 H 1 2.054 0.040 . 2 . . . . 51 LYS HB2 . 11033 1 630 . 1 1 56 56 LYS HB3 H 1 1.518 0.040 . 2 . . . . 51 LYS HB3 . 11033 1 631 . 1 1 56 56 LYS CG C 13 25.558 0.450 . 1 . . . . 51 LYS CG . 11033 1 632 . 1 1 56 56 LYS HG2 H 1 1.542 0.040 . 2 . . . . 51 LYS HG2 . 11033 1 633 . 1 1 56 56 LYS HG3 H 1 1.379 0.040 . 2 . . . . 51 LYS HG3 . 11033 1 634 . 1 1 56 56 LYS CD C 13 29.250 0.450 . 1 . . . . 51 LYS CD . 11033 1 635 . 1 1 56 56 LYS HD2 H 1 1.466 0.040 . 2 . . . . 51 LYS HD2 . 11033 1 636 . 1 1 56 56 LYS HD3 H 1 1.466 0.040 . 2 . . . . 51 LYS HD3 . 11033 1 637 . 1 1 56 56 LYS CE C 13 41.646 0.450 . 1 . . . . 51 LYS CE . 11033 1 638 . 1 1 56 56 LYS HE2 H 1 2.699 0.040 . 2 . . . . 51 LYS HE2 . 11033 1 639 . 1 1 56 56 LYS HE3 H 1 2.652 0.040 . 2 . . . . 51 LYS HE3 . 11033 1 640 . 1 1 56 56 LYS C C 13 175.144 0.450 . 1 . . . . 51 LYS C . 11033 1 641 . 1 1 57 57 PHE N N 15 118.585 0.450 . 1 . . . . 52 PHE N . 11033 1 642 . 1 1 57 57 PHE H H 1 8.875 0.040 . 1 . . . . 52 PHE H . 11033 1 643 . 1 1 57 57 PHE CA C 13 56.046 0.450 . 1 . . . . 52 PHE CA . 11033 1 644 . 1 1 57 57 PHE HA H 1 5.289 0.040 . 1 . . . . 52 PHE HA . 11033 1 645 . 1 1 57 57 PHE CB C 13 42.125 0.450 . 1 . . . . 52 PHE CB . 11033 1 646 . 1 1 57 57 PHE HB2 H 1 2.624 0.040 . 2 . . . . 52 PHE HB2 . 11033 1 647 . 1 1 57 57 PHE HB3 H 1 2.699 0.040 . 2 . . . . 52 PHE HB3 . 11033 1 648 . 1 1 57 57 PHE CD1 C 13 133.642 0.450 . 1 . . . . 52 PHE CD1 . 11033 1 649 . 1 1 57 57 PHE HD1 H 1 6.947 0.040 . 1 . . . . 52 PHE HD1 . 11033 1 650 . 1 1 57 57 PHE CE1 C 13 132.863 0.450 . 1 . . . . 52 PHE CE1 . 11033 1 651 . 1 1 57 57 PHE HE1 H 1 6.679 0.040 . 1 . . . . 52 PHE HE1 . 11033 1 652 . 1 1 57 57 PHE HZ H 1 6.435 0.040 . 1 . . . . 52 PHE HZ . 11033 1 653 . 1 1 57 57 PHE CE2 C 13 132.863 0.450 . 1 . . . . 52 PHE CE2 . 11033 1 654 . 1 1 57 57 PHE HE2 H 1 6.679 0.040 . 1 . . . . 52 PHE HE2 . 11033 1 655 . 1 1 57 57 PHE CD2 C 13 133.642 0.450 . 1 . . . . 52 PHE CD2 . 11033 1 656 . 1 1 57 57 PHE HD2 H 1 6.947 0.040 . 1 . . . . 52 PHE HD2 . 11033 1 657 . 1 1 57 57 PHE C C 13 172.917 0.450 . 1 . . . . 52 PHE C . 11033 1 658 . 1 1 58 58 TYR N N 15 128.969 0.450 . 1 . . . . 53 TYR N . 11033 1 659 . 1 1 58 58 TYR H H 1 8.683 0.040 . 1 . . . . 53 TYR H . 11033 1 660 . 1 1 58 58 TYR CA C 13 55.950 0.450 . 1 . . . . 53 TYR CA . 11033 1 661 . 1 1 58 58 TYR HA H 1 4.339 0.040 . 1 . . . . 53 TYR HA . 11033 1 662 . 1 1 58 58 TYR CB C 13 37.647 0.450 . 1 . . . . 53 TYR CB . 11033 1 663 . 1 1 58 58 TYR HB2 H 1 1.919 0.040 . 2 . . . . 53 TYR HB2 . 11033 1 664 . 1 1 58 58 TYR HB3 H 1 -0.072 0.040 . 2 . . . . 53 TYR HB3 . 11033 1 665 . 1 1 58 58 TYR CD1 C 13 132.350 0.450 . 1 . . . . 53 TYR CD1 . 11033 1 666 . 1 1 58 58 TYR HD1 H 1 5.596 0.040 . 1 . . . . 53 TYR HD1 . 11033 1 667 . 1 1 58 58 TYR CE1 C 13 116.740 0.450 . 1 . . . . 53 TYR CE1 . 11033 1 668 . 1 1 58 58 TYR HE1 H 1 6.389 0.040 . 1 . . . . 53 TYR HE1 . 11033 1 669 . 1 1 58 58 TYR CE2 C 13 116.740 0.450 . 1 . . . . 53 TYR CE2 . 11033 1 670 . 1 1 58 58 TYR HE2 H 1 6.389 0.040 . 1 . . . . 53 TYR HE2 . 11033 1 671 . 1 1 58 58 TYR CD2 C 13 132.350 0.450 . 1 . . . . 53 TYR CD2 . 11033 1 672 . 1 1 58 58 TYR HD2 H 1 5.596 0.040 . 1 . . . . 53 TYR HD2 . 11033 1 673 . 1 1 58 58 TYR C C 13 175.346 0.450 . 1 . . . . 53 TYR C . 11033 1 674 . 1 1 59 59 VAL N N 15 119.531 0.450 . 1 . . . . 54 VAL N . 11033 1 675 . 1 1 59 59 VAL H H 1 8.277 0.040 . 1 . . . . 54 VAL H . 11033 1 676 . 1 1 59 59 VAL CA C 13 57.703 0.450 . 1 . . . . 54 VAL CA . 11033 1 677 . 1 1 59 59 VAL HA H 1 5.083 0.040 . 1 . . . . 54 VAL HA . 11033 1 678 . 1 1 59 59 VAL CB C 13 34.566 0.450 . 1 . . . . 54 VAL CB . 11033 1 679 . 1 1 59 59 VAL HB H 1 1.360 0.040 . 1 . . . . 54 VAL HB . 11033 1 680 . 1 1 59 59 VAL HG11 H 1 0.475 0.040 . 2 . . . . 54 VAL HG1 . 11033 1 681 . 1 1 59 59 VAL HG12 H 1 0.475 0.040 . 2 . . . . 54 VAL HG1 . 11033 1 682 . 1 1 59 59 VAL HG13 H 1 0.475 0.040 . 2 . . . . 54 VAL HG1 . 11033 1 683 . 1 1 59 59 VAL HG21 H 1 0.169 0.040 . 2 . . . . 54 VAL HG2 . 11033 1 684 . 1 1 59 59 VAL HG22 H 1 0.169 0.040 . 2 . . . . 54 VAL HG2 . 11033 1 685 . 1 1 59 59 VAL HG23 H 1 0.169 0.040 . 2 . . . . 54 VAL HG2 . 11033 1 686 . 1 1 59 59 VAL CG1 C 13 21.088 0.450 . 1 . . . . 54 VAL CG1 . 11033 1 687 . 1 1 59 59 VAL CG2 C 13 17.142 0.450 . 1 . . . . 54 VAL CG2 . 11033 1 688 . 1 1 59 59 VAL C C 13 172.150 0.450 . 1 . . . . 54 VAL C . 11033 1 689 . 1 1 60 60 HIS N N 15 115.756 0.450 . 1 . . . . 55 HIS N . 11033 1 690 . 1 1 60 60 HIS H H 1 7.996 0.040 . 1 . . . . 55 HIS H . 11033 1 691 . 1 1 60 60 HIS CA C 13 52.396 0.450 . 1 . . . . 55 HIS CA . 11033 1 692 . 1 1 60 60 HIS HA H 1 4.859 0.040 . 1 . . . . 55 HIS HA . 11033 1 693 . 1 1 60 60 HIS CB C 13 31.505 0.450 . 1 . . . . 55 HIS CB . 11033 1 694 . 1 1 60 60 HIS HB2 H 1 2.922 0.040 . 2 . . . . 55 HIS HB2 . 11033 1 695 . 1 1 60 60 HIS HB3 H 1 2.668 0.040 . 2 . . . . 55 HIS HB3 . 11033 1 696 . 1 1 60 60 HIS CD2 C 13 119.172 0.450 . 1 . . . . 55 HIS CD2 . 11033 1 697 . 1 1 60 60 HIS HD2 H 1 7.032 0.040 . 1 . . . . 55 HIS HD2 . 11033 1 698 . 1 1 60 60 HIS C C 13 174.222 0.450 . 1 . . . . 55 HIS C . 11033 1 699 . 1 1 61 61 TYR N N 15 127.494 0.450 . 1 . . . . 56 TYR N . 11033 1 700 . 1 1 61 61 TYR H H 1 8.124 0.040 . 1 . . . . 56 TYR H . 11033 1 701 . 1 1 61 61 TYR CA C 13 58.849 0.450 . 1 . . . . 56 TYR CA . 11033 1 702 . 1 1 61 61 TYR HA H 1 4.214 0.040 . 1 . . . . 56 TYR HA . 11033 1 703 . 1 1 61 61 TYR CB C 13 36.423 0.450 . 1 . . . . 56 TYR CB . 11033 1 704 . 1 1 62 62 VAL CA C 13 65.242 0.450 . 1 . . . . 57 VAL CA . 11033 1 705 . 1 1 62 62 VAL HA H 1 3.299 0.040 . 1 . . . . 57 VAL HA . 11033 1 706 . 1 1 62 62 VAL CB C 13 31.400 0.450 . 1 . . . . 57 VAL CB . 11033 1 707 . 1 1 62 62 VAL HB H 1 1.636 0.040 . 1 . . . . 57 VAL HB . 11033 1 708 . 1 1 62 62 VAL HG11 H 1 0.733 0.040 . 2 . . . . 57 VAL HG1 . 11033 1 709 . 1 1 62 62 VAL HG12 H 1 0.733 0.040 . 2 . . . . 57 VAL HG1 . 11033 1 710 . 1 1 62 62 VAL HG13 H 1 0.733 0.040 . 2 . . . . 57 VAL HG1 . 11033 1 711 . 1 1 62 62 VAL HG21 H 1 0.836 0.040 . 2 . . . . 57 VAL HG2 . 11033 1 712 . 1 1 62 62 VAL HG22 H 1 0.836 0.040 . 2 . . . . 57 VAL HG2 . 11033 1 713 . 1 1 62 62 VAL HG23 H 1 0.836 0.040 . 2 . . . . 57 VAL HG2 . 11033 1 714 . 1 1 62 62 VAL CG1 C 13 20.922 0.450 . 1 . . . . 57 VAL CG1 . 11033 1 715 . 1 1 62 62 VAL CG2 C 13 20.436 0.450 . 1 . . . . 57 VAL CG2 . 11033 1 716 . 1 1 64 64 TYR CA C 13 62.670 0.450 . 1 . . . . 59 TYR CA . 11033 1 717 . 1 1 64 64 TYR HA H 1 4.683 0.040 . 1 . . . . 59 TYR HA . 11033 1 718 . 1 1 64 64 TYR CB C 13 34.373 0.450 . 1 . . . . 59 TYR CB . 11033 1 719 . 1 1 64 64 TYR C C 13 176.091 0.450 . 1 . . . . 59 TYR C . 11033 1 720 . 1 1 65 65 ASN N N 15 121.858 0.450 . 1 . . . . 60 ASN N . 11033 1 721 . 1 1 65 65 ASN H H 1 8.746 0.040 . 1 . . . . 60 ASN H . 11033 1 722 . 1 1 65 65 ASN CA C 13 57.256 0.450 . 1 . . . . 60 ASN CA . 11033 1 723 . 1 1 65 65 ASN HA H 1 4.634 0.040 . 1 . . . . 60 ASN HA . 11033 1 724 . 1 1 65 65 ASN HB2 H 1 2.947 0.040 . 2 . . . . 60 ASN HB2 . 11033 1 725 . 1 1 65 65 ASN HB3 H 1 2.947 0.040 . 2 . . . . 60 ASN HB3 . 11033 1 726 . 1 1 66 66 LYS CA C 13 58.117 0.450 . 1 . . . . 61 LYS CA . 11033 1 727 . 1 1 66 66 LYS HA H 1 4.513 0.040 . 1 . . . . 61 LYS HA . 11033 1 728 . 1 1 66 66 LYS CB C 13 31.917 0.450 . 1 . . . . 61 LYS CB . 11033 1 729 . 1 1 66 66 LYS HB2 H 1 1.949 0.040 . 2 . . . . 61 LYS HB2 . 11033 1 730 . 1 1 66 66 LYS HB3 H 1 1.794 0.040 . 2 . . . . 61 LYS HB3 . 11033 1 731 . 1 1 66 66 LYS CG C 13 24.261 0.450 . 1 . . . . 61 LYS CG . 11033 1 732 . 1 1 66 66 LYS HG2 H 1 1.456 0.040 . 2 . . . . 61 LYS HG2 . 11033 1 733 . 1 1 66 66 LYS HG3 H 1 1.396 0.040 . 2 . . . . 61 LYS HG3 . 11033 1 734 . 1 1 66 66 LYS CD C 13 28.993 0.450 . 1 . . . . 61 LYS CD . 11033 1 735 . 1 1 66 66 LYS HD2 H 1 1.613 0.040 . 2 . . . . 61 LYS HD2 . 11033 1 736 . 1 1 66 66 LYS HD3 H 1 1.613 0.040 . 2 . . . . 61 LYS HD3 . 11033 1 737 . 1 1 66 66 LYS CE C 13 41.549 0.450 . 1 . . . . 61 LYS CE . 11033 1 738 . 1 1 66 66 LYS HE2 H 1 2.921 0.040 . 2 . . . . 61 LYS HE2 . 11033 1 739 . 1 1 66 66 LYS HE3 H 1 2.921 0.040 . 2 . . . . 61 LYS HE3 . 11033 1 740 . 1 1 66 66 LYS C C 13 177.794 0.450 . 1 . . . . 61 LYS C . 11033 1 741 . 1 1 67 67 ARG N N 15 121.346 0.450 . 1 . . . . 62 ARG N . 11033 1 742 . 1 1 67 67 ARG H H 1 9.262 0.040 . 1 . . . . 62 ARG H . 11033 1 743 . 1 1 67 67 ARG CA C 13 58.169 0.450 . 1 . . . . 62 ARG CA . 11033 1 744 . 1 1 67 67 ARG HA H 1 4.244 0.040 . 1 . . . . 62 ARG HA . 11033 1 745 . 1 1 67 67 ARG CB C 13 29.351 0.450 . 1 . . . . 62 ARG CB . 11033 1 746 . 1 1 67 67 ARG HB2 H 1 1.904 0.040 . 2 . . . . 62 ARG HB2 . 11033 1 747 . 1 1 67 67 ARG HB3 H 1 1.830 0.040 . 2 . . . . 62 ARG HB3 . 11033 1 748 . 1 1 67 67 ARG CG C 13 27.600 0.450 . 1 . . . . 62 ARG CG . 11033 1 749 . 1 1 67 67 ARG HG2 H 1 1.623 0.040 . 2 . . . . 62 ARG HG2 . 11033 1 750 . 1 1 67 67 ARG HG3 H 1 1.623 0.040 . 2 . . . . 62 ARG HG3 . 11033 1 751 . 1 1 67 67 ARG CD C 13 43.009 0.450 . 1 . . . . 62 ARG CD . 11033 1 752 . 1 1 67 67 ARG HD2 H 1 3.200 0.040 . 2 . . . . 62 ARG HD2 . 11033 1 753 . 1 1 67 67 ARG HD3 H 1 3.159 0.040 . 2 . . . . 62 ARG HD3 . 11033 1 754 . 1 1 67 67 ARG NE N 15 84.053 0.450 . 1 . . . . 62 ARG NE . 11033 1 755 . 1 1 67 67 ARG HE H 1 7.340 0.040 . 1 . . . . 62 ARG HE . 11033 1 756 . 1 1 67 67 ARG C C 13 177.057 0.450 . 1 . . . . 62 ARG C . 11033 1 757 . 1 1 68 68 LEU N N 15 118.802 0.450 . 1 . . . . 63 LEU N . 11033 1 758 . 1 1 68 68 LEU H H 1 7.768 0.040 . 1 . . . . 63 LEU H . 11033 1 759 . 1 1 68 68 LEU CA C 13 54.618 0.450 . 1 . . . . 63 LEU CA . 11033 1 760 . 1 1 68 68 LEU HA H 1 4.385 0.040 . 1 . . . . 63 LEU HA . 11033 1 761 . 1 1 68 68 LEU CB C 13 41.414 0.450 . 1 . . . . 63 LEU CB . 11033 1 762 . 1 1 68 68 LEU HB2 H 1 2.080 0.040 . 2 . . . . 63 LEU HB2 . 11033 1 763 . 1 1 68 68 LEU HB3 H 1 1.731 0.040 . 2 . . . . 63 LEU HB3 . 11033 1 764 . 1 1 68 68 LEU CG C 13 27.674 0.450 . 1 . . . . 63 LEU CG . 11033 1 765 . 1 1 68 68 LEU HG H 1 1.635 0.040 . 1 . . . . 63 LEU HG . 11033 1 766 . 1 1 68 68 LEU HD11 H 1 0.950 0.040 . 2 . . . . 63 LEU HD1 . 11033 1 767 . 1 1 68 68 LEU HD12 H 1 0.950 0.040 . 2 . . . . 63 LEU HD1 . 11033 1 768 . 1 1 68 68 LEU HD13 H 1 0.950 0.040 . 2 . . . . 63 LEU HD1 . 11033 1 769 . 1 1 68 68 LEU HD21 H 1 0.786 0.040 . 2 . . . . 63 LEU HD2 . 11033 1 770 . 1 1 68 68 LEU HD22 H 1 0.786 0.040 . 2 . . . . 63 LEU HD2 . 11033 1 771 . 1 1 68 68 LEU HD23 H 1 0.786 0.040 . 2 . . . . 63 LEU HD2 . 11033 1 772 . 1 1 68 68 LEU CD1 C 13 25.823 0.450 . 1 . . . . 63 LEU CD1 . 11033 1 773 . 1 1 68 68 LEU CD2 C 13 22.921 0.450 . 1 . . . . 63 LEU CD2 . 11033 1 774 . 1 1 68 68 LEU C C 13 175.933 0.450 . 1 . . . . 63 LEU C . 11033 1 775 . 1 1 69 69 ASP N N 15 122.149 0.450 . 1 . . . . 64 ASP N . 11033 1 776 . 1 1 69 69 ASP H H 1 7.594 0.040 . 1 . . . . 64 ASP H . 11033 1 777 . 1 1 69 69 ASP CA C 13 55.705 0.450 . 1 . . . . 64 ASP CA . 11033 1 778 . 1 1 69 69 ASP HA H 1 4.435 0.040 . 1 . . . . 64 ASP HA . 11033 1 779 . 1 1 69 69 ASP CB C 13 38.684 0.450 . 1 . . . . 64 ASP CB . 11033 1 780 . 1 1 69 69 ASP HB2 H 1 2.607 0.040 . 2 . . . . 64 ASP HB2 . 11033 1 781 . 1 1 69 69 ASP HB3 H 1 2.149 0.040 . 2 . . . . 64 ASP HB3 . 11033 1 782 . 1 1 69 69 ASP C C 13 176.479 0.450 . 1 . . . . 64 ASP C . 11033 1 783 . 1 1 70 70 GLU N N 15 115.768 0.450 . 1 . . . . 65 GLU N . 11033 1 784 . 1 1 70 70 GLU H H 1 7.470 0.040 . 1 . . . . 65 GLU H . 11033 1 785 . 1 1 70 70 GLU CA C 13 54.790 0.450 . 1 . . . . 65 GLU CA . 11033 1 786 . 1 1 70 70 GLU HA H 1 4.809 0.040 . 1 . . . . 65 GLU HA . 11033 1 787 . 1 1 70 70 GLU CB C 13 32.220 0.450 . 1 . . . . 65 GLU CB . 11033 1 788 . 1 1 70 70 GLU HB2 H 1 2.125 0.040 . 2 . . . . 65 GLU HB2 . 11033 1 789 . 1 1 70 70 GLU HB3 H 1 2.125 0.040 . 2 . . . . 65 GLU HB3 . 11033 1 790 . 1 1 70 70 GLU CG C 13 33.892 0.450 . 1 . . . . 65 GLU CG . 11033 1 791 . 1 1 70 70 GLU HG2 H 1 2.372 0.040 . 2 . . . . 65 GLU HG2 . 11033 1 792 . 1 1 70 70 GLU HG3 H 1 2.372 0.040 . 2 . . . . 65 GLU HG3 . 11033 1 793 . 1 1 70 70 GLU C C 13 174.221 0.450 . 1 . . . . 65 GLU C . 11033 1 794 . 1 1 71 71 TRP N N 15 120.352 0.450 . 1 . . . . 66 TRP N . 11033 1 795 . 1 1 71 71 TRP H H 1 8.759 0.040 . 1 . . . . 66 TRP H . 11033 1 796 . 1 1 71 71 TRP CA C 13 56.761 0.450 . 1 . . . . 66 TRP CA . 11033 1 797 . 1 1 71 71 TRP HA H 1 5.436 0.040 . 1 . . . . 66 TRP HA . 11033 1 798 . 1 1 71 71 TRP CB C 13 30.271 0.450 . 1 . . . . 66 TRP CB . 11033 1 799 . 1 1 71 71 TRP HB2 H 1 3.281 0.040 . 2 . . . . 66 TRP HB2 . 11033 1 800 . 1 1 71 71 TRP HB3 H 1 2.996 0.040 . 2 . . . . 66 TRP HB3 . 11033 1 801 . 1 1 71 71 TRP CD1 C 13 128.101 0.450 . 1 . . . . 66 TRP CD1 . 11033 1 802 . 1 1 71 71 TRP CE3 C 13 120.365 0.450 . 1 . . . . 66 TRP CE3 . 11033 1 803 . 1 1 71 71 TRP NE1 N 15 131.576 0.450 . 1 . . . . 66 TRP NE1 . 11033 1 804 . 1 1 71 71 TRP HD1 H 1 7.476 0.040 . 1 . . . . 66 TRP HD1 . 11033 1 805 . 1 1 71 71 TRP HE3 H 1 7.369 0.040 . 1 . . . . 66 TRP HE3 . 11033 1 806 . 1 1 71 71 TRP CZ3 C 13 122.336 0.450 . 1 . . . . 66 TRP CZ3 . 11033 1 807 . 1 1 71 71 TRP CZ2 C 13 115.365 0.450 . 1 . . . . 66 TRP CZ2 . 11033 1 808 . 1 1 71 71 TRP HE1 H 1 10.115 0.040 . 1 . . . . 66 TRP HE1 . 11033 1 809 . 1 1 71 71 TRP HZ3 H 1 6.759 0.040 . 1 . . . . 66 TRP HZ3 . 11033 1 810 . 1 1 71 71 TRP CH2 C 13 123.942 0.450 . 1 . . . . 66 TRP CH2 . 11033 1 811 . 1 1 71 71 TRP HZ2 H 1 7.232 0.040 . 1 . . . . 66 TRP HZ2 . 11033 1 812 . 1 1 71 71 TRP HH2 H 1 6.983 0.040 . 1 . . . . 66 TRP HH2 . 11033 1 813 . 1 1 71 71 TRP C C 13 177.230 0.450 . 1 . . . . 66 TRP C . 11033 1 814 . 1 1 72 72 ILE N N 15 117.372 0.450 . 1 . . . . 67 ILE N . 11033 1 815 . 1 1 72 72 ILE H H 1 10.032 0.040 . 1 . . . . 67 ILE H . 11033 1 816 . 1 1 72 72 ILE CA C 13 59.138 0.450 . 1 . . . . 67 ILE CA . 11033 1 817 . 1 1 72 72 ILE HA H 1 5.070 0.040 . 1 . . . . 67 ILE HA . 11033 1 818 . 1 1 72 72 ILE CB C 13 42.532 0.450 . 1 . . . . 67 ILE CB . 11033 1 819 . 1 1 72 72 ILE HB H 1 1.921 0.040 . 1 . . . . 67 ILE HB . 11033 1 820 . 1 1 72 72 ILE HG21 H 1 0.873 0.040 . 1 . . . . 67 ILE HG2 . 11033 1 821 . 1 1 72 72 ILE HG22 H 1 0.873 0.040 . 1 . . . . 67 ILE HG2 . 11033 1 822 . 1 1 72 72 ILE HG23 H 1 0.873 0.040 . 1 . . . . 67 ILE HG2 . 11033 1 823 . 1 1 72 72 ILE CG2 C 13 17.783 0.450 . 1 . . . . 67 ILE CG2 . 11033 1 824 . 1 1 72 72 ILE CG1 C 13 26.305 0.450 . 1 . . . . 67 ILE CG1 . 11033 1 825 . 1 1 72 72 ILE HG12 H 1 1.525 0.040 . 2 . . . . 67 ILE HG12 . 11033 1 826 . 1 1 72 72 ILE HG13 H 1 1.260 0.040 . 2 . . . . 67 ILE HG13 . 11033 1 827 . 1 1 72 72 ILE HD11 H 1 0.656 0.040 . 1 . . . . 67 ILE HD1 . 11033 1 828 . 1 1 72 72 ILE HD12 H 1 0.656 0.040 . 1 . . . . 67 ILE HD1 . 11033 1 829 . 1 1 72 72 ILE HD13 H 1 0.656 0.040 . 1 . . . . 67 ILE HD1 . 11033 1 830 . 1 1 72 72 ILE CD1 C 13 16.239 0.450 . 1 . . . . 67 ILE CD1 . 11033 1 831 . 1 1 72 72 ILE C C 13 175.173 0.450 . 1 . . . . 67 ILE C . 11033 1 832 . 1 1 73 73 THR N N 15 109.484 0.450 . 1 . . . . 68 THR N . 11033 1 833 . 1 1 73 73 THR H H 1 7.309 0.040 . 1 . . . . 68 THR H . 11033 1 834 . 1 1 73 73 THR CA C 13 59.802 0.450 . 1 . . . . 68 THR CA . 11033 1 835 . 1 1 73 73 THR HA H 1 5.011 0.040 . 1 . . . . 68 THR HA . 11033 1 836 . 1 1 73 73 THR CB C 13 70.238 0.450 . 1 . . . . 68 THR CB . 11033 1 837 . 1 1 73 73 THR HB H 1 4.630 0.040 . 1 . . . . 68 THR HB . 11033 1 838 . 1 1 73 73 THR HG21 H 1 1.324 0.040 . 1 . . . . 68 THR HG2 . 11033 1 839 . 1 1 73 73 THR HG22 H 1 1.324 0.040 . 1 . . . . 68 THR HG2 . 11033 1 840 . 1 1 73 73 THR HG23 H 1 1.324 0.040 . 1 . . . . 68 THR HG2 . 11033 1 841 . 1 1 73 73 THR CG2 C 13 22.706 0.450 . 1 . . . . 68 THR CG2 . 11033 1 842 . 1 1 73 73 THR C C 13 176.849 0.450 . 1 . . . . 68 THR C . 11033 1 843 . 1 1 74 74 THR N N 15 113.804 0.450 . 1 . . . . 69 THR N . 11033 1 844 . 1 1 74 74 THR H H 1 8.963 0.040 . 1 . . . . 69 THR H . 11033 1 845 . 1 1 74 74 THR CA C 13 66.612 0.450 . 1 . . . . 69 THR CA . 11033 1 846 . 1 1 74 74 THR HA H 1 3.777 0.040 . 1 . . . . 69 THR HA . 11033 1 847 . 1 1 74 74 THR CB C 13 68.907 0.450 . 1 . . . . 69 THR CB . 11033 1 848 . 1 1 74 74 THR HB H 1 4.238 0.040 . 1 . . . . 69 THR HB . 11033 1 849 . 1 1 74 74 THR HG21 H 1 1.235 0.040 . 1 . . . . 69 THR HG2 . 11033 1 850 . 1 1 74 74 THR HG22 H 1 1.235 0.040 . 1 . . . . 69 THR HG2 . 11033 1 851 . 1 1 74 74 THR HG23 H 1 1.235 0.040 . 1 . . . . 69 THR HG2 . 11033 1 852 . 1 1 74 74 THR CG2 C 13 22.650 0.450 . 1 . . . . 69 THR CG2 . 11033 1 853 . 1 1 74 74 THR C C 13 175.934 0.450 . 1 . . . . 69 THR C . 11033 1 854 . 1 1 75 75 ASP N N 15 117.578 0.450 . 1 . . . . 70 ASP N . 11033 1 855 . 1 1 75 75 ASP H H 1 8.458 0.040 . 1 . . . . 70 ASP H . 11033 1 856 . 1 1 75 75 ASP CA C 13 55.117 0.450 . 1 . . . . 70 ASP CA . 11033 1 857 . 1 1 75 75 ASP HA H 1 4.417 0.040 . 1 . . . . 70 ASP HA . 11033 1 858 . 1 1 75 75 ASP CB C 13 39.799 0.450 . 1 . . . . 70 ASP CB . 11033 1 859 . 1 1 75 75 ASP HB2 H 1 2.709 0.040 . 2 . . . . 70 ASP HB2 . 11033 1 860 . 1 1 75 75 ASP HB3 H 1 2.709 0.040 . 2 . . . . 70 ASP HB3 . 11033 1 861 . 1 1 75 75 ASP C C 13 176.291 0.450 . 1 . . . . 70 ASP C . 11033 1 862 . 1 1 76 76 ARG N N 15 116.418 0.450 . 1 . . . . 71 ARG N . 11033 1 863 . 1 1 76 76 ARG H H 1 7.543 0.040 . 1 . . . . 71 ARG H . 11033 1 864 . 1 1 76 76 ARG CA C 13 55.879 0.450 . 1 . . . . 71 ARG CA . 11033 1 865 . 1 1 76 76 ARG HA H 1 4.338 0.040 . 1 . . . . 71 ARG HA . 11033 1 866 . 1 1 76 76 ARG CB C 13 30.371 0.450 . 1 . . . . 71 ARG CB . 11033 1 867 . 1 1 76 76 ARG HB2 H 1 2.398 0.040 . 2 . . . . 71 ARG HB2 . 11033 1 868 . 1 1 76 76 ARG HB3 H 1 2.398 0.040 . 2 . . . . 71 ARG HB3 . 11033 1 869 . 1 1 76 76 ARG CG C 13 26.636 0.450 . 1 . . . . 71 ARG CG . 11033 1 870 . 1 1 76 76 ARG HG2 H 1 1.902 0.040 . 2 . . . . 71 ARG HG2 . 11033 1 871 . 1 1 76 76 ARG HG3 H 1 1.749 0.040 . 2 . . . . 71 ARG HG3 . 11033 1 872 . 1 1 76 76 ARG CD C 13 43.347 0.450 . 1 . . . . 71 ARG CD . 11033 1 873 . 1 1 76 76 ARG HD2 H 1 3.357 0.040 . 2 . . . . 71 ARG HD2 . 11033 1 874 . 1 1 76 76 ARG HD3 H 1 3.263 0.040 . 2 . . . . 71 ARG HD3 . 11033 1 875 . 1 1 76 76 ARG NE N 15 82.878 0.450 . 1 . . . . 71 ARG NE . 11033 1 876 . 1 1 76 76 ARG HE H 1 7.114 0.040 . 1 . . . . 71 ARG HE . 11033 1 877 . 1 1 76 76 ARG C C 13 176.111 0.450 . 1 . . . . 71 ARG C . 11033 1 878 . 1 1 77 77 ILE N N 15 119.980 0.450 . 1 . . . . 72 ILE N . 11033 1 879 . 1 1 77 77 ILE H H 1 7.576 0.040 . 1 . . . . 72 ILE H . 11033 1 880 . 1 1 77 77 ILE CA C 13 61.662 0.450 . 1 . . . . 72 ILE CA . 11033 1 881 . 1 1 77 77 ILE HA H 1 4.153 0.040 . 1 . . . . 72 ILE HA . 11033 1 882 . 1 1 77 77 ILE CB C 13 38.548 0.450 . 1 . . . . 72 ILE CB . 11033 1 883 . 1 1 77 77 ILE HB H 1 1.746 0.040 . 1 . . . . 72 ILE HB . 11033 1 884 . 1 1 77 77 ILE HG21 H 1 0.627 0.040 . 1 . . . . 72 ILE HG2 . 11033 1 885 . 1 1 77 77 ILE HG22 H 1 0.627 0.040 . 1 . . . . 72 ILE HG2 . 11033 1 886 . 1 1 77 77 ILE HG23 H 1 0.627 0.040 . 1 . . . . 72 ILE HG2 . 11033 1 887 . 1 1 77 77 ILE CG2 C 13 17.197 0.450 . 1 . . . . 72 ILE CG2 . 11033 1 888 . 1 1 77 77 ILE HG12 H 1 1.512 0.040 . 2 . . . . 72 ILE HG12 . 11033 1 889 . 1 1 77 77 ILE HG13 H 1 1.512 0.040 . 2 . . . . 72 ILE HG13 . 11033 1 890 . 1 1 77 77 ILE HD11 H 1 0.264 0.040 . 1 . . . . 72 ILE HD1 . 11033 1 891 . 1 1 77 77 ILE HD12 H 1 0.264 0.040 . 1 . . . . 72 ILE HD1 . 11033 1 892 . 1 1 77 77 ILE HD13 H 1 0.264 0.040 . 1 . . . . 72 ILE HD1 . 11033 1 893 . 1 1 77 77 ILE CD1 C 13 13.261 0.450 . 1 . . . . 72 ILE CD1 . 11033 1 894 . 1 1 77 77 ILE C C 13 175.170 0.450 . 1 . . . . 72 ILE C . 11033 1 895 . 1 1 78 78 ASN N N 15 125.548 0.450 . 1 . . . . 73 ASN N . 11033 1 896 . 1 1 78 78 ASN H H 1 8.998 0.040 . 1 . . . . 73 ASN H . 11033 1 897 . 1 1 78 78 ASN CA C 13 51.587 0.450 . 1 . . . . 73 ASN CA . 11033 1 898 . 1 1 78 78 ASN HA H 1 4.799 0.040 . 1 . . . . 73 ASN HA . 11033 1 899 . 1 1 78 78 ASN CB C 13 36.677 0.450 . 1 . . . . 73 ASN CB . 11033 1 900 . 1 1 78 78 ASN HB2 H 1 3.059 0.040 . 2 . . . . 73 ASN HB2 . 11033 1 901 . 1 1 78 78 ASN HB3 H 1 2.579 0.040 . 2 . . . . 73 ASN HB3 . 11033 1 902 . 1 1 78 78 ASN ND2 N 15 112.691 0.450 . 1 . . . . 73 ASN ND2 . 11033 1 903 . 1 1 78 78 ASN HD21 H 1 8.698 0.040 . 2 . . . . 73 ASN HD21 . 11033 1 904 . 1 1 78 78 ASN HD22 H 1 7.016 0.040 . 2 . . . . 73 ASN HD22 . 11033 1 905 . 1 1 78 78 ASN C C 13 175.899 0.450 . 1 . . . . 73 ASN C . 11033 1 906 . 1 1 79 79 LEU N N 15 125.829 0.450 . 1 . . . . 74 LEU N . 11033 1 907 . 1 1 79 79 LEU H H 1 8.480 0.040 . 1 . . . . 74 LEU H . 11033 1 908 . 1 1 79 79 LEU CA C 13 55.213 0.450 . 1 . . . . 74 LEU CA . 11033 1 909 . 1 1 79 79 LEU HA H 1 4.272 0.040 . 1 . . . . 74 LEU HA . 11033 1 910 . 1 1 79 79 LEU CB C 13 40.460 0.450 . 1 . . . . 74 LEU CB . 11033 1 911 . 1 1 79 79 LEU HB2 H 1 1.693 0.040 . 2 . . . . 74 LEU HB2 . 11033 1 912 . 1 1 79 79 LEU HB3 H 1 1.648 0.040 . 2 . . . . 74 LEU HB3 . 11033 1 913 . 1 1 79 79 LEU CG C 13 26.698 0.450 . 1 . . . . 74 LEU CG . 11033 1 914 . 1 1 79 79 LEU HG H 1 1.562 0.040 . 1 . . . . 74 LEU HG . 11033 1 915 . 1 1 79 79 LEU HD11 H 1 0.848 0.040 . 2 . . . . 74 LEU HD1 . 11033 1 916 . 1 1 79 79 LEU HD12 H 1 0.848 0.040 . 2 . . . . 74 LEU HD1 . 11033 1 917 . 1 1 79 79 LEU HD13 H 1 0.848 0.040 . 2 . . . . 74 LEU HD1 . 11033 1 918 . 1 1 79 79 LEU HD21 H 1 0.619 0.040 . 2 . . . . 74 LEU HD2 . 11033 1 919 . 1 1 79 79 LEU HD22 H 1 0.619 0.040 . 2 . . . . 74 LEU HD2 . 11033 1 920 . 1 1 79 79 LEU HD23 H 1 0.619 0.040 . 2 . . . . 74 LEU HD2 . 11033 1 921 . 1 1 79 79 LEU CD1 C 13 25.850 0.450 . 1 . . . . 74 LEU CD1 . 11033 1 922 . 1 1 79 79 LEU CD2 C 13 22.610 0.450 . 1 . . . . 74 LEU CD2 . 11033 1 923 . 1 1 79 79 LEU C C 13 177.037 0.450 . 1 . . . . 74 LEU C . 11033 1 924 . 1 1 80 80 ASP N N 15 117.726 0.450 . 1 . . . . 75 ASP N . 11033 1 925 . 1 1 80 80 ASP H H 1 8.402 0.040 . 1 . . . . 75 ASP H . 11033 1 926 . 1 1 80 80 ASP CA C 13 54.890 0.450 . 1 . . . . 75 ASP CA . 11033 1 927 . 1 1 80 80 ASP HA H 1 4.707 0.040 . 1 . . . . 75 ASP HA . 11033 1 928 . 1 1 80 80 ASP CB C 13 40.823 0.450 . 1 . . . . 75 ASP CB . 11033 1 929 . 1 1 80 80 ASP HB2 H 1 2.753 0.040 . 2 . . . . 75 ASP HB2 . 11033 1 930 . 1 1 80 80 ASP HB3 H 1 2.753 0.040 . 2 . . . . 75 ASP HB3 . 11033 1 931 . 1 1 80 80 ASP C C 13 176.473 0.450 . 1 . . . . 75 ASP C . 11033 1 932 . 1 1 81 81 LYS N N 15 120.046 0.450 . 1 . . . . 76 LYS N . 11033 1 933 . 1 1 81 81 LYS H H 1 7.002 0.040 . 1 . . . . 76 LYS H . 11033 1 934 . 1 1 81 81 LYS CA C 13 55.003 0.450 . 1 . . . . 76 LYS CA . 11033 1 935 . 1 1 81 81 LYS HA H 1 4.315 0.040 . 1 . . . . 76 LYS HA . 11033 1 936 . 1 1 81 81 LYS CB C 13 35.414 0.450 . 1 . . . . 76 LYS CB . 11033 1 937 . 1 1 81 81 LYS HB2 H 1 1.818 0.040 . 2 . . . . 76 LYS HB2 . 11033 1 938 . 1 1 81 81 LYS HB3 H 1 1.637 0.040 . 2 . . . . 76 LYS HB3 . 11033 1 939 . 1 1 81 81 LYS CG C 13 25.982 0.450 . 1 . . . . 76 LYS CG . 11033 1 940 . 1 1 81 81 LYS HG2 H 1 1.194 0.040 . 2 . . . . 76 LYS HG2 . 11033 1 941 . 1 1 81 81 LYS HG3 H 1 1.021 0.040 . 2 . . . . 76 LYS HG3 . 11033 1 942 . 1 1 81 81 LYS CD C 13 28.737 0.450 . 1 . . . . 76 LYS CD . 11033 1 943 . 1 1 81 81 LYS HD2 H 1 1.153 0.040 . 2 . . . . 76 LYS HD2 . 11033 1 944 . 1 1 81 81 LYS HD3 H 1 0.766 0.040 . 2 . . . . 76 LYS HD3 . 11033 1 945 . 1 1 81 81 LYS CE C 13 41.329 0.450 . 1 . . . . 76 LYS CE . 11033 1 946 . 1 1 81 81 LYS HE2 H 1 2.337 0.040 . 2 . . . . 76 LYS HE2 . 11033 1 947 . 1 1 81 81 LYS HE3 H 1 2.198 0.040 . 2 . . . . 76 LYS HE3 . 11033 1 948 . 1 1 81 81 LYS C C 13 174.933 0.450 . 1 . . . . 76 LYS C . 11033 1 949 . 1 1 82 82 GLU N N 15 118.397 0.450 . 1 . . . . 77 GLU N . 11033 1 950 . 1 1 82 82 GLU H H 1 8.188 0.040 . 1 . . . . 77 GLU H . 11033 1 951 . 1 1 82 82 GLU CA C 13 57.238 0.450 . 1 . . . . 77 GLU CA . 11033 1 952 . 1 1 82 82 GLU HA H 1 4.061 0.040 . 1 . . . . 77 GLU HA . 11033 1 953 . 1 1 82 82 GLU CB C 13 30.328 0.450 . 1 . . . . 77 GLU CB . 11033 1 954 . 1 1 82 82 GLU HB2 H 1 2.001 0.040 . 2 . . . . 77 GLU HB2 . 11033 1 955 . 1 1 82 82 GLU HB3 H 1 1.969 0.040 . 2 . . . . 77 GLU HB3 . 11033 1 956 . 1 1 82 82 GLU CG C 13 35.873 0.450 . 1 . . . . 77 GLU CG . 11033 1 957 . 1 1 82 82 GLU HG2 H 1 2.277 0.040 . 2 . . . . 77 GLU HG2 . 11033 1 958 . 1 1 82 82 GLU HG3 H 1 2.277 0.040 . 2 . . . . 77 GLU HG3 . 11033 1 959 . 1 1 82 82 GLU C C 13 175.727 0.450 . 1 . . . . 77 GLU C . 11033 1 960 . 1 1 83 83 VAL N N 15 123.339 0.450 . 1 . . . . 78 VAL N . 11033 1 961 . 1 1 83 83 VAL H H 1 8.017 0.040 . 1 . . . . 78 VAL H . 11033 1 962 . 1 1 83 83 VAL CA C 13 61.404 0.450 . 1 . . . . 78 VAL CA . 11033 1 963 . 1 1 83 83 VAL HA H 1 4.408 0.040 . 1 . . . . 78 VAL HA . 11033 1 964 . 1 1 83 83 VAL CB C 13 34.003 0.450 . 1 . . . . 78 VAL CB . 11033 1 965 . 1 1 83 83 VAL HB H 1 1.907 0.040 . 1 . . . . 78 VAL HB . 11033 1 966 . 1 1 83 83 VAL HG11 H 1 0.923 0.040 . 2 . . . . 78 VAL HG1 . 11033 1 967 . 1 1 83 83 VAL HG12 H 1 0.923 0.040 . 2 . . . . 78 VAL HG1 . 11033 1 968 . 1 1 83 83 VAL HG13 H 1 0.923 0.040 . 2 . . . . 78 VAL HG1 . 11033 1 969 . 1 1 83 83 VAL HG21 H 1 0.605 0.040 . 2 . . . . 78 VAL HG2 . 11033 1 970 . 1 1 83 83 VAL HG22 H 1 0.605 0.040 . 2 . . . . 78 VAL HG2 . 11033 1 971 . 1 1 83 83 VAL HG23 H 1 0.605 0.040 . 2 . . . . 78 VAL HG2 . 11033 1 972 . 1 1 83 83 VAL CG1 C 13 21.522 0.450 . 1 . . . . 78 VAL CG1 . 11033 1 973 . 1 1 83 83 VAL CG2 C 13 21.338 0.450 . 1 . . . . 78 VAL CG2 . 11033 1 974 . 1 1 83 83 VAL C C 13 174.977 0.450 . 1 . . . . 78 VAL C . 11033 1 975 . 1 1 84 84 LEU N N 15 126.802 0.450 . 1 . . . . 79 LEU N . 11033 1 976 . 1 1 84 84 LEU H H 1 8.791 0.040 . 1 . . . . 79 LEU H . 11033 1 977 . 1 1 84 84 LEU CA C 13 53.499 0.450 . 1 . . . . 79 LEU CA . 11033 1 978 . 1 1 84 84 LEU HA H 1 4.692 0.040 . 1 . . . . 79 LEU HA . 11033 1 979 . 1 1 84 84 LEU CB C 13 43.250 0.450 . 1 . . . . 79 LEU CB . 11033 1 980 . 1 1 84 84 LEU HB2 H 1 1.615 0.040 . 2 . . . . 79 LEU HB2 . 11033 1 981 . 1 1 84 84 LEU HB3 H 1 1.393 0.040 . 2 . . . . 79 LEU HB3 . 11033 1 982 . 1 1 84 84 LEU CG C 13 27.010 0.450 . 1 . . . . 79 LEU CG . 11033 1 983 . 1 1 84 84 LEU HG H 1 1.550 0.040 . 1 . . . . 79 LEU HG . 11033 1 984 . 1 1 84 84 LEU HD11 H 1 0.830 0.040 . 2 . . . . 79 LEU HD1 . 11033 1 985 . 1 1 84 84 LEU HD12 H 1 0.830 0.040 . 2 . . . . 79 LEU HD1 . 11033 1 986 . 1 1 84 84 LEU HD13 H 1 0.830 0.040 . 2 . . . . 79 LEU HD1 . 11033 1 987 . 1 1 84 84 LEU HD21 H 1 0.751 0.040 . 2 . . . . 79 LEU HD2 . 11033 1 988 . 1 1 84 84 LEU HD22 H 1 0.751 0.040 . 2 . . . . 79 LEU HD2 . 11033 1 989 . 1 1 84 84 LEU HD23 H 1 0.751 0.040 . 2 . . . . 79 LEU HD2 . 11033 1 990 . 1 1 84 84 LEU CD1 C 13 24.930 0.450 . 1 . . . . 79 LEU CD1 . 11033 1 991 . 1 1 84 84 LEU CD2 C 13 23.388 0.450 . 1 . . . . 79 LEU CD2 . 11033 1 992 . 1 1 84 84 LEU C C 13 176.486 0.450 . 1 . . . . 79 LEU C . 11033 1 993 . 1 1 85 85 TYR N N 15 124.252 0.450 . 1 . . . . 80 TYR N . 11033 1 994 . 1 1 85 85 TYR H H 1 8.973 0.040 . 1 . . . . 80 TYR H . 11033 1 995 . 1 1 85 85 TYR CA C 13 55.850 0.450 . 1 . . . . 80 TYR CA . 11033 1 996 . 1 1 85 85 TYR HA H 1 4.879 0.040 . 1 . . . . 80 TYR HA . 11033 1 997 . 1 1 85 85 TYR CB C 13 39.148 0.450 . 1 . . . . 80 TYR CB . 11033 1 998 . 1 1 85 85 TYR HB2 H 1 3.024 0.040 . 2 . . . . 80 TYR HB2 . 11033 1 999 . 1 1 85 85 TYR HB3 H 1 2.820 0.040 . 2 . . . . 80 TYR HB3 . 11033 1 1000 . 1 1 85 85 TYR CD1 C 13 132.890 0.450 . 1 . . . . 80 TYR CD1 . 11033 1 1001 . 1 1 85 85 TYR HD1 H 1 7.069 0.040 . 1 . . . . 80 TYR HD1 . 11033 1 1002 . 1 1 85 85 TYR CE1 C 13 118.007 0.450 . 1 . . . . 80 TYR CE1 . 11033 1 1003 . 1 1 85 85 TYR HE1 H 1 6.752 0.040 . 1 . . . . 80 TYR HE1 . 11033 1 1004 . 1 1 85 85 TYR CE2 C 13 118.007 0.450 . 1 . . . . 80 TYR CE2 . 11033 1 1005 . 1 1 85 85 TYR HE2 H 1 6.752 0.040 . 1 . . . . 80 TYR HE2 . 11033 1 1006 . 1 1 85 85 TYR CD2 C 13 132.890 0.450 . 1 . . . . 80 TYR CD2 . 11033 1 1007 . 1 1 85 85 TYR HD2 H 1 7.069 0.040 . 1 . . . . 80 TYR HD2 . 11033 1 1008 . 1 1 85 85 TYR C C 13 174.028 0.450 . 1 . . . . 80 TYR C . 11033 1 1009 . 1 1 86 86 PRO CD C 13 50.542 0.450 . 1 . . . . 81 PRO CD . 11033 1 1010 . 1 1 86 86 PRO CA C 13 62.584 0.450 . 1 . . . . 81 PRO CA . 11033 1 1011 . 1 1 86 86 PRO HA H 1 4.454 0.040 . 1 . . . . 81 PRO HA . 11033 1 1012 . 1 1 86 86 PRO CB C 13 31.934 0.450 . 1 . . . . 81 PRO CB . 11033 1 1013 . 1 1 86 86 PRO HB2 H 1 2.128 0.040 . 2 . . . . 81 PRO HB2 . 11033 1 1014 . 1 1 86 86 PRO HB3 H 1 1.889 0.040 . 2 . . . . 81 PRO HB3 . 11033 1 1015 . 1 1 86 86 PRO CG C 13 27.174 0.450 . 1 . . . . 81 PRO CG . 11033 1 1016 . 1 1 86 86 PRO HG2 H 1 1.998 0.040 . 2 . . . . 81 PRO HG2 . 11033 1 1017 . 1 1 86 86 PRO HG3 H 1 1.972 0.040 . 2 . . . . 81 PRO HG3 . 11033 1 1018 . 1 1 86 86 PRO HD2 H 1 3.594 0.040 . 2 . . . . 81 PRO HD2 . 11033 1 1019 . 1 1 86 86 PRO HD3 H 1 3.444 0.040 . 2 . . . . 81 PRO HD3 . 11033 1 1020 . 1 1 86 86 PRO C C 13 176.482 0.450 . 1 . . . . 81 PRO C . 11033 1 1021 . 1 1 87 87 LYS N N 15 122.085 0.450 . 1 . . . . 82 LYS N . 11033 1 1022 . 1 1 87 87 LYS H H 1 8.395 0.040 . 1 . . . . 82 LYS H . 11033 1 1023 . 1 1 87 87 LYS CA C 13 56.170 0.450 . 1 . . . . 82 LYS CA . 11033 1 1024 . 1 1 87 87 LYS HA H 1 4.231 0.040 . 1 . . . . 82 LYS HA . 11033 1 1025 . 1 1 87 87 LYS CB C 13 32.875 0.450 . 1 . . . . 82 LYS CB . 11033 1 1026 . 1 1 87 87 LYS HB2 H 1 1.771 0.040 . 2 . . . . 82 LYS HB2 . 11033 1 1027 . 1 1 87 87 LYS HB3 H 1 1.671 0.040 . 2 . . . . 82 LYS HB3 . 11033 1 1028 . 1 1 87 87 LYS CG C 13 24.880 0.450 . 1 . . . . 82 LYS CG . 11033 1 1029 . 1 1 87 87 LYS HG2 H 1 1.433 0.040 . 2 . . . . 82 LYS HG2 . 11033 1 1030 . 1 1 87 87 LYS HG3 H 1 1.380 0.040 . 2 . . . . 82 LYS HG3 . 11033 1 1031 . 1 1 87 87 LYS CD C 13 29.020 0.450 . 1 . . . . 82 LYS CD . 11033 1 1032 . 1 1 87 87 LYS HD2 H 1 1.653 0.040 . 2 . . . . 82 LYS HD2 . 11033 1 1033 . 1 1 87 87 LYS HD3 H 1 1.653 0.040 . 2 . . . . 82 LYS HD3 . 11033 1 1034 . 1 1 87 87 LYS CE C 13 41.726 0.450 . 1 . . . . 82 LYS CE . 11033 1 1035 . 1 1 87 87 LYS HE2 H 1 2.952 0.040 . 2 . . . . 82 LYS HE2 . 11033 1 1036 . 1 1 87 87 LYS HE3 H 1 2.952 0.040 . 2 . . . . 82 LYS HE3 . 11033 1 1037 . 1 1 87 87 LYS C C 13 176.475 0.450 . 1 . . . . 82 LYS C . 11033 1 1038 . 1 1 88 88 LEU N N 15 124.812 0.450 . 1 . . . . 83 LEU N . 11033 1 1039 . 1 1 88 88 LEU H H 1 8.338 0.040 . 1 . . . . 83 LEU H . 11033 1 1040 . 1 1 88 88 LEU CA C 13 54.931 0.450 . 1 . . . . 83 LEU CA . 11033 1 1041 . 1 1 88 88 LEU HA H 1 4.328 0.040 . 1 . . . . 83 LEU HA . 11033 1 1042 . 1 1 88 88 LEU CB C 13 42.500 0.450 . 1 . . . . 83 LEU CB . 11033 1 1043 . 1 1 88 88 LEU HB2 H 1 1.601 0.040 . 2 . . . . 83 LEU HB2 . 11033 1 1044 . 1 1 88 88 LEU HB3 H 1 1.533 0.040 . 2 . . . . 83 LEU HB3 . 11033 1 1045 . 1 1 88 88 LEU CG C 13 26.992 0.450 . 1 . . . . 83 LEU CG . 11033 1 1046 . 1 1 88 88 LEU HG H 1 1.588 0.040 . 1 . . . . 83 LEU HG . 11033 1 1047 . 1 1 88 88 LEU HD11 H 1 0.879 0.040 . 2 . . . . 83 LEU HD1 . 11033 1 1048 . 1 1 88 88 LEU HD12 H 1 0.879 0.040 . 2 . . . . 83 LEU HD1 . 11033 1 1049 . 1 1 88 88 LEU HD13 H 1 0.879 0.040 . 2 . . . . 83 LEU HD1 . 11033 1 1050 . 1 1 88 88 LEU HD21 H 1 0.827 0.040 . 2 . . . . 83 LEU HD2 . 11033 1 1051 . 1 1 88 88 LEU HD22 H 1 0.827 0.040 . 2 . . . . 83 LEU HD2 . 11033 1 1052 . 1 1 88 88 LEU HD23 H 1 0.827 0.040 . 2 . . . . 83 LEU HD2 . 11033 1 1053 . 1 1 88 88 LEU CD1 C 13 24.763 0.450 . 1 . . . . 83 LEU CD1 . 11033 1 1054 . 1 1 88 88 LEU CD2 C 13 23.671 0.450 . 1 . . . . 83 LEU CD2 . 11033 1 1055 . 1 1 88 88 LEU C C 13 177.040 0.450 . 1 . . . . 83 LEU C . 11033 1 1056 . 1 1 89 89 LYS N N 15 122.728 0.450 . 1 . . . . 84 LYS N . 11033 1 1057 . 1 1 89 89 LYS H H 1 8.309 0.040 . 1 . . . . 84 LYS H . 11033 1 1058 . 1 1 89 89 LYS CA C 13 55.700 0.450 . 1 . . . . 84 LYS CA . 11033 1 1059 . 1 1 89 89 LYS HA H 1 4.285 0.040 . 1 . . . . 84 LYS HA . 11033 1 1060 . 1 1 89 89 LYS CB C 13 33.260 0.450 . 1 . . . . 84 LYS CB . 11033 1 1061 . 1 1 89 89 LYS HB2 H 1 1.790 0.040 . 2 . . . . 84 LYS HB2 . 11033 1 1062 . 1 1 89 89 LYS HB3 H 1 1.705 0.040 . 2 . . . . 84 LYS HB3 . 11033 1 1063 . 1 1 89 89 LYS CG C 13 24.619 0.450 . 1 . . . . 84 LYS CG . 11033 1 1064 . 1 1 89 89 LYS HG2 H 1 1.403 0.040 . 2 . . . . 84 LYS HG2 . 11033 1 1065 . 1 1 89 89 LYS HG3 H 1 1.403 0.040 . 2 . . . . 84 LYS HG3 . 11033 1 1066 . 1 1 89 89 LYS CD C 13 28.975 0.450 . 1 . . . . 84 LYS CD . 11033 1 1067 . 1 1 89 89 LYS HD2 H 1 1.647 0.040 . 2 . . . . 84 LYS HD2 . 11033 1 1068 . 1 1 89 89 LYS HD3 H 1 1.647 0.040 . 2 . . . . 84 LYS HD3 . 11033 1 1069 . 1 1 89 89 LYS CE C 13 41.726 0.450 . 1 . . . . 84 LYS CE . 11033 1 1070 . 1 1 89 89 LYS HE2 H 1 2.941 0.040 . 2 . . . . 84 LYS HE2 . 11033 1 1071 . 1 1 89 89 LYS HE3 H 1 2.941 0.040 . 2 . . . . 84 LYS HE3 . 11033 1 1072 . 1 1 89 89 LYS C C 13 176.196 0.450 . 1 . . . . 84 LYS C . 11033 1 1073 . 1 1 90 90 ALA N N 15 126.469 0.450 . 1 . . . . 85 ALA N . 11033 1 1074 . 1 1 90 90 ALA H H 1 8.529 0.040 . 1 . . . . 85 ALA H . 11033 1 1075 . 1 1 90 90 ALA CA C 13 52.619 0.450 . 1 . . . . 85 ALA CA . 11033 1 1076 . 1 1 90 90 ALA HA H 1 4.335 0.040 . 1 . . . . 85 ALA HA . 11033 1 1077 . 1 1 90 90 ALA HB1 H 1 1.398 0.040 . 1 . . . . 85 ALA HB . 11033 1 1078 . 1 1 90 90 ALA HB2 H 1 1.398 0.040 . 1 . . . . 85 ALA HB . 11033 1 1079 . 1 1 90 90 ALA HB3 H 1 1.398 0.040 . 1 . . . . 85 ALA HB . 11033 1 1080 . 1 1 90 90 ALA CB C 13 19.177 0.450 . 1 . . . . 85 ALA CB . 11033 1 1081 . 1 1 90 90 ALA C C 13 177.979 0.450 . 1 . . . . 85 ALA C . 11033 1 1082 . 1 1 91 91 THR N N 15 112.200 0.450 . 1 . . . . 86 THR N . 11033 1 1083 . 1 1 91 91 THR H H 1 8.111 0.040 . 1 . . . . 86 THR H . 11033 1 1084 . 1 1 91 91 THR CA C 13 61.620 0.450 . 1 . . . . 86 THR CA . 11033 1 1085 . 1 1 91 91 THR HA H 1 4.306 0.040 . 1 . . . . 86 THR HA . 11033 1 1086 . 1 1 91 91 THR CB C 13 69.582 0.450 . 1 . . . . 86 THR CB . 11033 1 1087 . 1 1 91 91 THR HB H 1 4.247 0.040 . 1 . . . . 86 THR HB . 11033 1 1088 . 1 1 91 91 THR HG21 H 1 1.171 0.040 . 1 . . . . 86 THR HG2 . 11033 1 1089 . 1 1 91 91 THR HG22 H 1 1.171 0.040 . 1 . . . . 86 THR HG2 . 11033 1 1090 . 1 1 91 91 THR HG23 H 1 1.171 0.040 . 1 . . . . 86 THR HG2 . 11033 1 1091 . 1 1 91 91 THR CG2 C 13 21.457 0.450 . 1 . . . . 86 THR CG2 . 11033 1 1092 . 1 1 91 91 THR C C 13 174.414 0.450 . 1 . . . . 86 THR C . 11033 1 1093 . 1 1 92 92 ASP N N 15 121.581 0.450 . 1 . . . . 87 ASP N . 11033 1 1094 . 1 1 92 92 ASP H H 1 8.311 0.040 . 1 . . . . 87 ASP H . 11033 1 1095 . 1 1 92 92 ASP CA C 13 54.990 0.450 . 1 . . . . 87 ASP CA . 11033 1 1096 . 1 1 92 92 ASP HA H 1 4.600 0.040 . 1 . . . . 87 ASP HA . 11033 1 1097 . 1 1 92 92 ASP CB C 13 40.291 0.450 . 1 . . . . 87 ASP CB . 11033 1 1098 . 1 1 92 92 ASP HB2 H 1 2.973 0.040 . 2 . . . . 87 ASP HB2 . 11033 1 1099 . 1 1 92 92 ASP HB3 H 1 2.624 0.040 . 2 . . . . 87 ASP HB3 . 11033 1 1100 . 1 1 92 92 ASP C C 13 175.915 0.450 . 1 . . . . 87 ASP C . 11033 1 1101 . 1 1 93 93 GLU N N 15 120.552 0.450 . 1 . . . . 88 GLU N . 11033 1 1102 . 1 1 93 93 GLU H H 1 8.114 0.040 . 1 . . . . 88 GLU H . 11033 1 1103 . 1 1 93 93 GLU CA C 13 56.027 0.450 . 1 . . . . 88 GLU CA . 11033 1 1104 . 1 1 93 93 GLU HA H 1 4.299 0.040 . 1 . . . . 88 GLU HA . 11033 1 1105 . 1 1 93 93 GLU CB C 13 30.581 0.450 . 1 . . . . 88 GLU CB . 11033 1 1106 . 1 1 93 93 GLU HB2 H 1 2.068 0.040 . 2 . . . . 88 GLU HB2 . 11033 1 1107 . 1 1 93 93 GLU HB3 H 1 1.856 0.040 . 2 . . . . 88 GLU HB3 . 11033 1 1108 . 1 1 93 93 GLU CG C 13 36.137 0.450 . 1 . . . . 88 GLU CG . 11033 1 1109 . 1 1 93 93 GLU HG2 H 1 2.208 0.040 . 2 . . . . 88 GLU HG2 . 11033 1 1110 . 1 1 93 93 GLU HG3 H 1 2.208 0.040 . 2 . . . . 88 GLU HG3 . 11033 1 1111 . 1 1 93 93 GLU C C 13 175.353 0.450 . 1 . . . . 88 GLU C . 11033 1 1112 . 1 1 94 94 ASP N N 15 126.794 0.450 . 1 . . . . 89 ASP N . 11033 1 1113 . 1 1 94 94 ASP H H 1 7.990 0.040 . 1 . . . . 89 ASP H . 11033 1 1114 . 1 1 94 94 ASP CA C 13 55.925 0.450 . 1 . . . . 89 ASP CA . 11033 1 1115 . 1 1 94 94 ASP HA H 1 4.332 0.040 . 1 . . . . 89 ASP HA . 11033 1 1116 . 1 1 94 94 ASP CB C 13 42.025 0.450 . 1 . . . . 89 ASP CB . 11033 1 1117 . 1 1 94 94 ASP HB2 H 1 2.640 0.040 . 2 . . . . 89 ASP HB2 . 11033 1 1118 . 1 1 94 94 ASP HB3 H 1 2.533 0.040 . 2 . . . . 89 ASP HB3 . 11033 1 1119 . 1 1 94 94 ASP C C 13 180.985 0.450 . 1 . . . . 89 ASP C . 11033 1 stop_ save_