data_6161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6161 _Entry.Title ; Full 1H, 13C and 15N Chemical Shift Assignments for the GI Domain of the yeast Linker Histone, Hho1p ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-01 _Entry.Accession_date 2004-04-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Patrick Coles . . . 6161 2 Jean Thomas . O. . 6161 3 Katherine Stott . . . 6161 4 Timothy Stevens . J. . 6161 5 Tariq Ali . . . 6161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 6161 '15N chemical shifts' 94 6161 '1H chemical shifts' 662 6161 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 . . 2004-06-30 . original author 'Original release' 6161 1 . . 2005-02-07 . update BMRB 'Updated the relationship loop' 6161 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6162 'domain II' 6161 BMRB 6476 'GII loop mutant, GII-L' 6161 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6161 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15050829 _Citation.Full_citation . _Citation.Title 'Two homologous domains of similar structure but different stability in the yeast linker histone, Hho1p' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 338 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 139 _Citation.Page_last 148 _Citation.Year 2004 _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 Tariq Ali . . . 6161 1 2 Patrick Coles . . . 6161 1 3 Timothy Stevens . J. . 6161 1 4 Katherine Stott . . . 6161 1 5 Jean Thomas . O. . 6161 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA-binding domain' 6161 1 'linker histone' 6161 1 'winged helix' 6161 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6161 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15050829 _Citation.Full_citation ; Ali T, Coles P, Stevens TJ, Stott K, Thomas JO. J Mol Biol. 2004 Apr 16;338(1):139-48. ; _Citation.Title 'Two homologous domains of similar structure but different stability in the yeast linker histone, Hho1p.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 338 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 139 _Citation.Page_last 148 _Citation.Year 2004 _Citation.Details ; The Saccharomyces cerevisiae homologue of the linker histone H1, Hho1p, has two domains that are similar in sequence to the globular domain of H1 (and variants such as H5). It is an open question whether both domains are functional and whether they play similar structural roles. Preliminary structural studies showed that the two isolated domains, GI and GII, differ significantly in stability. In 10 mM sodium phosphate (pH 7), the GI domain, like the globular domains of H1 and H5, GH1 and GH5, was stably folded, whereas GII was largely unstructured. However, at high concentrations of large tetrahedral anions (phosphate, sulphate, perchlorate), which might mimic the charge-screening effects of DNA phosphate groups, GII was folded. In view of the potential significance of these observations in relation to the role of Hho1p, we have now determined the structures of its GI and GII domains by NMR spectroscopy under conditions in which GII (like GI) is folded. The backbone r.m.s.d. over the ordered residues is 0.43 A for GI and 0.97 A for GII. Both structures show the "winged-helix" fold typical of GH1 and GH5 and are very similar to each other, with an r.m.s.d. over the structured regions of 1.3 A, although there are distinct differences. The potential for GII to adopt a structure similar to that of GI when Hho1p is bound to chromatin in vivo suggests that both globular domains might be functional. Whether Hho1p performs a structural role by bridging two nucleosomes remains to be determined. ; 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 Tariq Ali T. . . 6161 2 2 Patrick Coles P. . . 6161 2 3 'Timothy J' Stevens T. J. . 6161 2 4 Katherine Stott K. . . 6161 2 5 'Jean O' Thomas J. O. . 6161 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Hho1p_GI _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Hho1p_GI _Assembly.Entry_ID 6161 _Assembly.ID 1 _Assembly.Name 'Yeast linker histone globular domain I' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6161 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Hho1p GI' 1 $Hho1p_GI . . . native . . . . . 6161 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1UST . . . . . . 6161 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hho1p GI' abbreviation 6161 1 'Yeast linker histone globular domain I' system 6161 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA-binding domain' 6161 1 'linker histone' 6161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hho1p_GI _Entity.Sf_category entity _Entity.Sf_framecode Hho1p_GI _Entity.Entry_ID 6161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Yeast linker histone globular domain I' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KKEEASSKSYRELIIEGLTA LKERKGSSRPALKKFIKENY PIVGSASNFDLYFNNAIKKG VEAGDFEQPKGPAGAVKLAK KKSPEVKKEKEVS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UHM . "Solution Structure Of The Globular Domain Of Linker Histone Homolog Hho1p From S. Cerevisiae" . . . . . 83.87 78 100.00 100.00 3.10e-46 . . . . 6161 1 2 no PDB 1UST . "Yeast Histone H1 Globular Domain I, Hho1p Gi, Solution Nmr Structures" . . . . . 100.00 93 100.00 100.00 1.06e-55 . . . . 6161 1 3 no GB EGA60263 . "Hho1p [Saccharomyces cerevisiae FostersO]" . . . . . 100.00 185 98.92 98.92 5.68e-55 . . . . 6161 1 4 no GB EGA76627 . "Hho1p [Saccharomyces cerevisiae Vin13]" . . . . . 100.00 178 100.00 100.00 1.44e-56 . . . . 6161 1 5 no GB EGA84535 . "Hho1p [Saccharomyces cerevisiae VL3]" . . . . . 100.00 185 100.00 100.00 6.41e-56 . . . . 6161 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hho1p GI' abbreviation 6161 1 'Yeast linker histone globular domain I' common 6161 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 38 LYS . 6161 1 2 39 LYS . 6161 1 3 40 GLU . 6161 1 4 41 GLU . 6161 1 5 42 ALA . 6161 1 6 43 SER . 6161 1 7 44 SER . 6161 1 8 45 LYS . 6161 1 9 46 SER . 6161 1 10 47 TYR . 6161 1 11 48 ARG . 6161 1 12 49 GLU . 6161 1 13 50 LEU . 6161 1 14 51 ILE . 6161 1 15 52 ILE . 6161 1 16 53 GLU . 6161 1 17 54 GLY . 6161 1 18 55 LEU . 6161 1 19 56 THR . 6161 1 20 57 ALA . 6161 1 21 58 LEU . 6161 1 22 59 LYS . 6161 1 23 60 GLU . 6161 1 24 61 ARG . 6161 1 25 62 LYS . 6161 1 26 63 GLY . 6161 1 27 64 SER . 6161 1 28 65 SER . 6161 1 29 66 ARG . 6161 1 30 67 PRO . 6161 1 31 68 ALA . 6161 1 32 69 LEU . 6161 1 33 70 LYS . 6161 1 34 71 LYS . 6161 1 35 72 PHE . 6161 1 36 73 ILE . 6161 1 37 74 LYS . 6161 1 38 75 GLU . 6161 1 39 76 ASN . 6161 1 40 77 TYR . 6161 1 41 78 PRO . 6161 1 42 79 ILE . 6161 1 43 80 VAL . 6161 1 44 81 GLY . 6161 1 45 82 SER . 6161 1 46 83 ALA . 6161 1 47 84 SER . 6161 1 48 85 ASN . 6161 1 49 86 PHE . 6161 1 50 87 ASP . 6161 1 51 88 LEU . 6161 1 52 89 TYR . 6161 1 53 90 PHE . 6161 1 54 91 ASN . 6161 1 55 92 ASN . 6161 1 56 93 ALA . 6161 1 57 94 ILE . 6161 1 58 95 LYS . 6161 1 59 96 LYS . 6161 1 60 97 GLY . 6161 1 61 98 VAL . 6161 1 62 99 GLU . 6161 1 63 100 ALA . 6161 1 64 101 GLY . 6161 1 65 102 ASP . 6161 1 66 103 PHE . 6161 1 67 104 GLU . 6161 1 68 105 GLN . 6161 1 69 106 PRO . 6161 1 70 107 LYS . 6161 1 71 108 GLY . 6161 1 72 109 PRO . 6161 1 73 110 ALA . 6161 1 74 111 GLY . 6161 1 75 112 ALA . 6161 1 76 113 VAL . 6161 1 77 114 LYS . 6161 1 78 115 LEU . 6161 1 79 116 ALA . 6161 1 80 117 LYS . 6161 1 81 118 LYS . 6161 1 82 119 LYS . 6161 1 83 120 SER . 6161 1 84 121 PRO . 6161 1 85 122 GLU . 6161 1 86 123 VAL . 6161 1 87 124 LYS . 6161 1 88 125 LYS . 6161 1 89 126 GLU . 6161 1 90 127 LYS . 6161 1 91 128 GLU . 6161 1 92 129 VAL . 6161 1 93 130 SER . 6161 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 . LYS 1 1 6161 1 . LYS 2 2 6161 1 . GLU 3 3 6161 1 . GLU 4 4 6161 1 . ALA 5 5 6161 1 . SER 6 6 6161 1 . SER 7 7 6161 1 . LYS 8 8 6161 1 . SER 9 9 6161 1 . TYR 10 10 6161 1 . ARG 11 11 6161 1 . GLU 12 12 6161 1 . LEU 13 13 6161 1 . ILE 14 14 6161 1 . ILE 15 15 6161 1 . GLU 16 16 6161 1 . GLY 17 17 6161 1 . LEU 18 18 6161 1 . THR 19 19 6161 1 . ALA 20 20 6161 1 . LEU 21 21 6161 1 . LYS 22 22 6161 1 . GLU 23 23 6161 1 . ARG 24 24 6161 1 . LYS 25 25 6161 1 . GLY 26 26 6161 1 . SER 27 27 6161 1 . SER 28 28 6161 1 . ARG 29 29 6161 1 . PRO 30 30 6161 1 . ALA 31 31 6161 1 . LEU 32 32 6161 1 . LYS 33 33 6161 1 . LYS 34 34 6161 1 . PHE 35 35 6161 1 . ILE 36 36 6161 1 . LYS 37 37 6161 1 . GLU 38 38 6161 1 . ASN 39 39 6161 1 . TYR 40 40 6161 1 . PRO 41 41 6161 1 . ILE 42 42 6161 1 . VAL 43 43 6161 1 . GLY 44 44 6161 1 . SER 45 45 6161 1 . ALA 46 46 6161 1 . SER 47 47 6161 1 . ASN 48 48 6161 1 . PHE 49 49 6161 1 . ASP 50 50 6161 1 . LEU 51 51 6161 1 . TYR 52 52 6161 1 . PHE 53 53 6161 1 . ASN 54 54 6161 1 . ASN 55 55 6161 1 . ALA 56 56 6161 1 . ILE 57 57 6161 1 . LYS 58 58 6161 1 . LYS 59 59 6161 1 . GLY 60 60 6161 1 . VAL 61 61 6161 1 . GLU 62 62 6161 1 . ALA 63 63 6161 1 . GLY 64 64 6161 1 . ASP 65 65 6161 1 . PHE 66 66 6161 1 . GLU 67 67 6161 1 . GLN 68 68 6161 1 . PRO 69 69 6161 1 . LYS 70 70 6161 1 . GLY 71 71 6161 1 . PRO 72 72 6161 1 . ALA 73 73 6161 1 . GLY 74 74 6161 1 . ALA 75 75 6161 1 . VAL 76 76 6161 1 . LYS 77 77 6161 1 . LEU 78 78 6161 1 . ALA 79 79 6161 1 . LYS 80 80 6161 1 . LYS 81 81 6161 1 . LYS 82 82 6161 1 . SER 83 83 6161 1 . PRO 84 84 6161 1 . GLU 85 85 6161 1 . VAL 86 86 6161 1 . LYS 87 87 6161 1 . LYS 88 88 6161 1 . GLU 89 89 6161 1 . LYS 90 90 6161 1 . GLU 91 91 6161 1 . VAL 92 92 6161 1 . SER 93 93 6161 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 6161 _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 $Hho1p_GI . 4932 . . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . hho1 . . . . 6161 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 6161 _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 $Hho1p_GI . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6161 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6161 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Yeast linker histone globular domain I' '[U-95% 13C; U-95% 15N]' . . 1 $Hho1p_GI . . 2.7 . . mM . . . . 6161 1 2 'sodium phosphate' . . . . . . . 100 . . mM . . . . 6161 1 3 DSS . . . . . . . 10 . . mM . . . . 6161 1 4 D2O . . . . . . . 99.8 . . % . . . . 6161 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6161 _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 'ionic strength' 0.10 . M 6161 1 pH 7.0 0.2 pH 6161 1 temperature 288 1 K 6161 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 6161 _Software.ID 1 _Software.Name AZARA _Software.Version 2.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 6161 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 6161 _Software.ID 2 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 6161 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6161 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 6161 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 6161 _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 NOESY-15N-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 2 15N-HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 3 15N-HSQC-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 4 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 5 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 6 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 7 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 8 (H)CC(CO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 9 HC(C)H-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 10 NOESY-13C-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6161 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6161 _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 external indirect 0.404808636 . . . . . . . . . 6161 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6161 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 6161 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6161 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6161 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 LYS CA C 13 56.30 0.12 . 1 . . . . 38 . . . 6161 1 2 . 1 1 1 1 LYS CB C 13 33.06 0.12 . 1 . . . . 38 . . . 6161 1 3 . 1 1 1 1 LYS CD C 13 29.11 0.12 . 1 . . . . 38 . . . 6161 1 4 . 1 1 1 1 LYS CE C 13 41.98 0.12 . 1 . . . . 38 . . . 6161 1 5 . 1 1 1 1 LYS CG C 13 24.62 0.12 . 1 . . . . 38 . . . 6161 1 6 . 1 1 2 2 LYS CA C 13 56.63 0.12 . 1 . . . . 39 . . . 6161 1 7 . 1 1 2 2 LYS CB C 13 32.93 0.12 . 1 . . . . 39 . . . 6161 1 8 . 1 1 2 2 LYS CD C 13 29.03 0.12 . 1 . . . . 39 . . . 6161 1 9 . 1 1 2 2 LYS CE C 13 42.05 0.12 . 1 . . . . 39 . . . 6161 1 10 . 1 1 2 2 LYS CG C 13 24.70 0.12 . 1 . . . . 39 . . . 6161 1 11 . 1 1 2 2 LYS H H 1 8.66 0.03 . 1 . . . . 39 . . . 6161 1 12 . 1 1 2 2 LYS HA H 1 4.26 0.03 . 1 . . . . 39 . . . 6161 1 13 . 1 1 2 2 LYS HB2 H 1 1.77 0.03 . 1 . . . . 39 . . . 6161 1 14 . 1 1 2 2 LYS HB3 H 1 1.77 0.03 . 1 . . . . 39 . . . 6161 1 15 . 1 1 2 2 LYS HD2 H 1 1.69 0.03 . 1 . . . . 39 . . . 6161 1 16 . 1 1 2 2 LYS HD3 H 1 1.69 0.03 . 1 . . . . 39 . . . 6161 1 17 . 1 1 2 2 LYS HE2 H 1 2.98 0.03 . 1 . . . . 39 . . . 6161 1 18 . 1 1 2 2 LYS HE3 H 1 2.98 0.03 . 1 . . . . 39 . . . 6161 1 19 . 1 1 2 2 LYS HG2 H 1 1.43 0.03 . 1 . . . . 39 . . . 6161 1 20 . 1 1 2 2 LYS HG3 H 1 1.43 0.03 . 1 . . . . 39 . . . 6161 1 21 . 1 1 2 2 LYS N N 15 124.15 0.15 . 1 . . . . 39 . . . 6161 1 22 . 1 1 3 3 GLU CA C 13 56.44 0.12 . 1 . . . . 40 . . . 6161 1 23 . 1 1 3 3 GLU CB C 13 30.16 0.12 . 1 . . . . 40 . . . 6161 1 24 . 1 1 3 3 GLU CG C 13 36.07 0.12 . 1 . . . . 40 . . . 6161 1 25 . 1 1 3 3 GLU H H 1 8.70 0.03 . 1 . . . . 40 . . . 6161 1 26 . 1 1 3 3 GLU HA H 1 4.26 0.03 . 1 . . . . 40 . . . 6161 1 27 . 1 1 3 3 GLU HB2 H 1 2.03 0.03 . 2 . . . . 40 . . . 6161 1 28 . 1 1 3 3 GLU HB3 H 1 1.93 0.03 . 2 . . . . 40 . . . 6161 1 29 . 1 1 3 3 GLU HG2 H 1 2.26 0.03 . 1 . . . . 40 . . . 6161 1 30 . 1 1 3 3 GLU HG3 H 1 2.26 0.03 . 1 . . . . 40 . . . 6161 1 31 . 1 1 3 3 GLU N N 15 122.20 0.15 . 1 . . . . 40 . . . 6161 1 32 . 1 1 4 4 GLU CA C 13 56.24 0.12 . 1 . . . . 41 . . . 6161 1 33 . 1 1 4 4 GLU CB C 13 30.35 0.12 . 1 . . . . 41 . . . 6161 1 34 . 1 1 4 4 GLU CG C 13 36.20 0.12 . 1 . . . . 41 . . . 6161 1 35 . 1 1 4 4 GLU H H 1 8.46 0.03 . 1 . . . . 41 . . . 6161 1 36 . 1 1 4 4 GLU HA H 1 4.27 0.03 . 1 . . . . 41 . . . 6161 1 37 . 1 1 4 4 GLU HB2 H 1 1.97 0.03 . 1 . . . . 41 . . . 6161 1 38 . 1 1 4 4 GLU HB3 H 1 1.97 0.03 . 1 . . . . 41 . . . 6161 1 39 . 1 1 4 4 GLU HG2 H 1 2.27 0.03 . 1 . . . . 41 . . . 6161 1 40 . 1 1 4 4 GLU HG3 H 1 2.27 0.03 . 1 . . . . 41 . . . 6161 1 41 . 1 1 4 4 GLU N N 15 122.06 0.15 . 1 . . . . 41 . . . 6161 1 42 . 1 1 5 5 ALA CA C 13 52.68 0.12 . 1 . . . . 42 . . . 6161 1 43 . 1 1 5 5 ALA CB C 13 19.20 0.12 . 1 . . . . 42 . . . 6161 1 44 . 1 1 5 5 ALA H H 1 8.45 0.03 . 1 . . . . 42 . . . 6161 1 45 . 1 1 5 5 ALA HA H 1 4.32 0.03 . 1 . . . . 42 . . . 6161 1 46 . 1 1 5 5 ALA HB1 H 1 1.41 0.03 . 1 . . . . 42 . . . 6161 1 47 . 1 1 5 5 ALA HB2 H 1 1.41 0.03 . 1 . . . . 42 . . . 6161 1 48 . 1 1 5 5 ALA HB3 H 1 1.41 0.03 . 1 . . . . 42 . . . 6161 1 49 . 1 1 5 5 ALA N N 15 124.87 0.15 . 1 . . . . 42 . . . 6161 1 50 . 1 1 6 6 SER CA C 13 58.29 0.12 . 1 . . . . 43 . . . 6161 1 51 . 1 1 6 6 SER CB C 13 63.77 0.12 . 1 . . . . 43 . . . 6161 1 52 . 1 1 6 6 SER H H 1 8.36 0.03 . 1 . . . . 43 . . . 6161 1 53 . 1 1 6 6 SER HA H 1 4.45 0.03 . 1 . . . . 43 . . . 6161 1 54 . 1 1 6 6 SER HB2 H 1 3.88 0.03 . 1 . . . . 43 . . . 6161 1 55 . 1 1 6 6 SER HB3 H 1 3.88 0.03 . 1 . . . . 43 . . . 6161 1 56 . 1 1 6 6 SER N N 15 114.39 0.15 . 1 . . . . 43 . . . 6161 1 57 . 1 1 7 7 SER CA C 13 58.48 0.12 . 1 . . . . 44 . . . 6161 1 58 . 1 1 7 7 SER CB C 13 63.62 0.12 . 1 . . . . 44 . . . 6161 1 59 . 1 1 7 7 SER H H 1 8.39 0.03 . 1 . . . . 44 . . . 6161 1 60 . 1 1 7 7 SER HA H 1 4.42 0.03 . 1 . . . . 44 . . . 6161 1 61 . 1 1 7 7 SER HB2 H 1 3.81 0.03 . 1 . . . . 44 . . . 6161 1 62 . 1 1 7 7 SER HB3 H 1 3.81 0.03 . 1 . . . . 44 . . . 6161 1 63 . 1 1 7 7 SER N N 15 117.66 0.15 . 1 . . . . 44 . . . 6161 1 64 . 1 1 8 8 LYS CA C 13 56.22 0.12 . 1 . . . . 45 . . . 6161 1 65 . 1 1 8 8 LYS CB C 13 33.84 0.12 . 1 . . . . 45 . . . 6161 1 66 . 1 1 8 8 LYS CD C 13 29.52 0.12 . 1 . . . . 45 . . . 6161 1 67 . 1 1 8 8 LYS CE C 13 42.16 0.12 . 1 . . . . 45 . . . 6161 1 68 . 1 1 8 8 LYS CG C 13 25.32 0.12 . 1 . . . . 45 . . . 6161 1 69 . 1 1 8 8 LYS H H 1 8.08 0.03 . 1 . . . . 45 . . . 6161 1 70 . 1 1 8 8 LYS HA H 1 4.32 0.03 . 1 . . . . 45 . . . 6161 1 71 . 1 1 8 8 LYS HB2 H 1 1.54 0.03 . 1 . . . . 45 . . . 6161 1 72 . 1 1 8 8 LYS HB3 H 1 1.54 0.03 . 1 . . . . 45 . . . 6161 1 73 . 1 1 8 8 LYS HD2 H 1 1.50 0.03 . 1 . . . . 45 . . . 6161 1 74 . 1 1 8 8 LYS HD3 H 1 1.50 0.03 . 1 . . . . 45 . . . 6161 1 75 . 1 1 8 8 LYS HE2 H 1 2.93 0.03 . 1 . . . . 45 . . . 6161 1 76 . 1 1 8 8 LYS HE3 H 1 2.93 0.03 . 1 . . . . 45 . . . 6161 1 77 . 1 1 8 8 LYS HG2 H 1 1.36 0.03 . 1 . . . . 45 . . . 6161 1 78 . 1 1 8 8 LYS HG3 H 1 1.36 0.03 . 1 . . . . 45 . . . 6161 1 79 . 1 1 8 8 LYS N N 15 122.36 0.15 . 1 . . . . 45 . . . 6161 1 80 . 1 1 9 9 SER CA C 13 57.19 0.12 . 1 . . . . 46 . . . 6161 1 81 . 1 1 9 9 SER CB C 13 64.61 0.12 . 1 . . . . 46 . . . 6161 1 82 . 1 1 9 9 SER H H 1 8.64 0.03 . 1 . . . . 46 . . . 6161 1 83 . 1 1 9 9 SER HA H 1 4.49 0.03 . 1 . . . . 46 . . . 6161 1 84 . 1 1 9 9 SER HB2 H 1 4.02 0.03 . 2 . . . . 46 . . . 6161 1 85 . 1 1 9 9 SER HB3 H 1 4.29 0.03 . 2 . . . . 46 . . . 6161 1 86 . 1 1 9 9 SER N N 15 117.51 0.15 . 1 . . . . 46 . . . 6161 1 87 . 1 1 10 10 TYR CA C 13 63.52 0.12 . 1 . . . . 47 . . . 6161 1 88 . 1 1 10 10 TYR CB C 13 38.56 0.12 . 1 . . . . 47 . . . 6161 1 89 . 1 1 10 10 TYR CD1 C 13 130.85 0.12 . 1 . . . . 47 . . . 6161 1 90 . 1 1 10 10 TYR CD2 C 13 130.85 0.12 . 1 . . . . 47 . . . 6161 1 91 . 1 1 10 10 TYR CE1 C 13 118.93 0.12 . 1 . . . . 47 . . . 6161 1 92 . 1 1 10 10 TYR CE2 C 13 118.93 0.12 . 1 . . . . 47 . . . 6161 1 93 . 1 1 10 10 TYR H H 1 8.84 0.03 . 1 . . . . 47 . . . 6161 1 94 . 1 1 10 10 TYR HA H 1 3.94 0.03 . 1 . . . . 47 . . . 6161 1 95 . 1 1 10 10 TYR HB2 H 1 3.01 0.03 . 2 . . . . 47 . . . 6161 1 96 . 1 1 10 10 TYR HB3 H 1 2.54 0.03 . 2 . . . . 47 . . . 6161 1 97 . 1 1 10 10 TYR HD1 H 1 7.01 0.03 . 1 . . . . 47 . . . 6161 1 98 . 1 1 10 10 TYR HD2 H 1 7.00 0.03 . 1 . . . . 47 . . . 6161 1 99 . 1 1 10 10 TYR HE1 H 1 6.75 0.03 . 1 . . . . 47 . . . 6161 1 100 . 1 1 10 10 TYR HE2 H 1 6.75 0.03 . 1 . . . . 47 . . . 6161 1 101 . 1 1 10 10 TYR N N 15 120.61 0.15 . 1 . . . . 47 . . . 6161 1 102 . 1 1 11 11 ARG CA C 13 60.66 0.12 . 1 . . . . 48 . . . 6161 1 103 . 1 1 11 11 ARG CB C 13 29.88 0.12 . 1 . . . . 48 . . . 6161 1 104 . 1 1 11 11 ARG CD C 13 43.04 0.12 . 1 . . . . 48 . . . 6161 1 105 . 1 1 11 11 ARG CG C 13 27.37 0.12 . 1 . . . . 48 . . . 6161 1 106 . 1 1 11 11 ARG H H 1 8.59 0.03 . 1 . . . . 48 . . . 6161 1 107 . 1 1 11 11 ARG HA H 1 3.89 0.03 . 1 . . . . 48 . . . 6161 1 108 . 1 1 11 11 ARG HB2 H 1 2.04 0.03 . 1 . . . . 48 . . . 6161 1 109 . 1 1 11 11 ARG HB3 H 1 2.04 0.03 . 1 . . . . 48 . . . 6161 1 110 . 1 1 11 11 ARG HD2 H 1 3.10 0.03 . 1 . . . . 48 . . . 6161 1 111 . 1 1 11 11 ARG HD3 H 1 3.10 0.03 . 1 . . . . 48 . . . 6161 1 112 . 1 1 11 11 ARG HE H 1 7.46 0.03 . 1 . . . . 48 . . . 6161 1 113 . 1 1 11 11 ARG HG2 H 1 1.43 0.03 . 1 . . . . 48 . . . 6161 1 114 . 1 1 11 11 ARG HG3 H 1 1.43 0.03 . 1 . . . . 48 . . . 6161 1 115 . 1 1 11 11 ARG N N 15 118.04 0.15 . 1 . . . . 48 . . . 6161 1 116 . 1 1 11 11 ARG NE N 15 84.13 0.15 . 1 . . . . 48 . . . 6161 1 117 . 1 1 12 12 GLU CA C 13 59.70 0.12 . 1 . . . . 49 . . . 6161 1 118 . 1 1 12 12 GLU CB C 13 29.47 0.12 . 1 . . . . 49 . . . 6161 1 119 . 1 1 12 12 GLU CG C 13 37.35 0.12 . 1 . . . . 49 . . . 6161 1 120 . 1 1 12 12 GLU H H 1 7.72 0.03 . 1 . . . . 49 . . . 6161 1 121 . 1 1 12 12 GLU HA H 1 3.90 0.03 . 1 . . . . 49 . . . 6161 1 122 . 1 1 12 12 GLU HB2 H 1 2.01 0.03 . 1 . . . . 49 . . . 6161 1 123 . 1 1 12 12 GLU HB3 H 1 2.01 0.03 . 1 . . . . 49 . . . 6161 1 124 . 1 1 12 12 GLU HG2 H 1 2.32 0.03 . 1 . . . . 49 . . . 6161 1 125 . 1 1 12 12 GLU HG3 H 1 2.32 0.03 . 1 . . . . 49 . . . 6161 1 126 . 1 1 12 12 GLU N N 15 116.18 0.15 . 1 . . . . 49 . . . 6161 1 127 . 1 1 13 13 LEU CA C 13 57.76 0.12 . 1 . . . . 50 . . . 6161 1 128 . 1 1 13 13 LEU CB C 13 41.33 0.12 . 1 . . . . 50 . . . 6161 1 129 . 1 1 13 13 LEU CD1 C 13 21.86 0.12 . 2 . . . . 50 . . . 6161 1 130 . 1 1 13 13 LEU CD2 C 13 25.56 0.12 . 2 . . . . 50 . . . 6161 1 131 . 1 1 13 13 LEU CG C 13 25.55 0.12 . 1 . . . . 50 . . . 6161 1 132 . 1 1 13 13 LEU H H 1 8.21 0.03 . 1 . . . . 50 . . . 6161 1 133 . 1 1 13 13 LEU HA H 1 4.02 0.03 . 1 . . . . 50 . . . 6161 1 134 . 1 1 13 13 LEU HB2 H 1 1.28 0.03 . 2 . . . . 50 . . . 6161 1 135 . 1 1 13 13 LEU HB3 H 1 1.98 0.03 . 2 . . . . 50 . . . 6161 1 136 . 1 1 13 13 LEU HD11 H 1 0.30 0.03 . 2 . . . . 50 . . . 6161 1 137 . 1 1 13 13 LEU HD12 H 1 0.30 0.03 . 2 . . . . 50 . . . 6161 1 138 . 1 1 13 13 LEU HD13 H 1 0.30 0.03 . 2 . . . . 50 . . . 6161 1 139 . 1 1 13 13 LEU HD21 H 1 0.03 0.03 . 2 . . . . 50 . . . 6161 1 140 . 1 1 13 13 LEU HD22 H 1 0.03 0.03 . 2 . . . . 50 . . . 6161 1 141 . 1 1 13 13 LEU HD23 H 1 0.03 0.03 . 2 . . . . 50 . . . 6161 1 142 . 1 1 13 13 LEU HG H 1 1.55 0.03 . 1 . . . . 50 . . . 6161 1 143 . 1 1 13 13 LEU N N 15 120.50 0.15 . 1 . . . . 50 . . . 6161 1 144 . 1 1 14 14 ILE CA C 13 65.81 0.12 . 1 . . . . 51 . . . 6161 1 145 . 1 1 14 14 ILE CB C 13 37.57 0.12 . 1 . . . . 51 . . . 6161 1 146 . 1 1 14 14 ILE CD1 C 13 14.60 0.12 . 1 . . . . 51 . . . 6161 1 147 . 1 1 14 14 ILE CG1 C 13 30.55 0.12 . 1 . . . . 51 . . . 6161 1 148 . 1 1 14 14 ILE CG2 C 13 18.43 0.12 . 1 . . . . 51 . . . 6161 1 149 . 1 1 14 14 ILE H H 1 8.38 0.03 . 1 . . . . 51 . . . 6161 1 150 . 1 1 14 14 ILE HA H 1 3.64 0.03 . 1 . . . . 51 . . . 6161 1 151 . 1 1 14 14 ILE HB H 1 1.90 0.03 . 1 . . . . 51 . . . 6161 1 152 . 1 1 14 14 ILE HD11 H 1 0.49 0.03 . 1 . . . . 51 . . . 6161 1 153 . 1 1 14 14 ILE HD12 H 1 0.49 0.03 . 1 . . . . 51 . . . 6161 1 154 . 1 1 14 14 ILE HD13 H 1 0.49 0.03 . 1 . . . . 51 . . . 6161 1 155 . 1 1 14 14 ILE HG12 H 1 1.76 0.03 . 2 . . . . 51 . . . 6161 1 156 . 1 1 14 14 ILE HG13 H 1 0.73 0.03 . 2 . . . . 51 . . . 6161 1 157 . 1 1 14 14 ILE HG21 H 1 0.23 0.03 . 1 . . . . 51 . . . 6161 1 158 . 1 1 14 14 ILE HG22 H 1 0.23 0.03 . 1 . . . . 51 . . . 6161 1 159 . 1 1 14 14 ILE HG23 H 1 0.23 0.03 . 1 . . . . 51 . . . 6161 1 160 . 1 1 14 14 ILE N N 15 119.88 0.15 . 1 . . . . 51 . . . 6161 1 161 . 1 1 15 15 ILE CA C 13 66.94 0.12 . 1 . . . . 52 . . . 6161 1 162 . 1 1 15 15 ILE CB C 13 38.25 0.12 . 1 . . . . 52 . . . 6161 1 163 . 1 1 15 15 ILE CD1 C 13 13.59 0.12 . 1 . . . . 52 . . . 6161 1 164 . 1 1 15 15 ILE CG1 C 13 30.45 0.12 . 1 . . . . 52 . . . 6161 1 165 . 1 1 15 15 ILE CG2 C 13 16.62 0.12 . 1 . . . . 52 . . . 6161 1 166 . 1 1 15 15 ILE H H 1 8.29 0.03 . 1 . . . . 52 . . . 6161 1 167 . 1 1 15 15 ILE HA H 1 3.61 0.03 . 1 . . . . 52 . . . 6161 1 168 . 1 1 15 15 ILE HB H 1 1.92 0.03 . 1 . . . . 52 . . . 6161 1 169 . 1 1 15 15 ILE HD11 H 1 0.80 0.03 . 1 . . . . 52 . . . 6161 1 170 . 1 1 15 15 ILE HD12 H 1 0.80 0.03 . 1 . . . . 52 . . . 6161 1 171 . 1 1 15 15 ILE HD13 H 1 0.80 0.03 . 1 . . . . 52 . . . 6161 1 172 . 1 1 15 15 ILE HG12 H 1 2.18 0.03 . 2 . . . . 52 . . . 6161 1 173 . 1 1 15 15 ILE HG13 H 1 1.08 0.03 . 2 . . . . 52 . . . 6161 1 174 . 1 1 15 15 ILE HG21 H 1 0.95 0.03 . 1 . . . . 52 . . . 6161 1 175 . 1 1 15 15 ILE HG22 H 1 0.95 0.03 . 1 . . . . 52 . . . 6161 1 176 . 1 1 15 15 ILE HG23 H 1 0.95 0.03 . 1 . . . . 52 . . . 6161 1 177 . 1 1 15 15 ILE N N 15 119.89 0.15 . 1 . . . . 52 . . . 6161 1 178 . 1 1 16 16 GLU CA C 13 59.91 0.12 . 1 . . . . 53 . . . 6161 1 179 . 1 1 16 16 GLU CB C 13 29.39 0.12 . 1 . . . . 53 . . . 6161 1 180 . 1 1 16 16 GLU CG C 13 36.31 0.12 . 1 . . . . 53 . . . 6161 1 181 . 1 1 16 16 GLU H H 1 8.56 0.03 . 1 . . . . 53 . . . 6161 1 182 . 1 1 16 16 GLU HA H 1 3.91 0.03 . 1 . . . . 53 . . . 6161 1 183 . 1 1 16 16 GLU HB2 H 1 2.31 0.03 . 1 . . . . 53 . . . 6161 1 184 . 1 1 16 16 GLU HB3 H 1 2.31 0.03 . 1 . . . . 53 . . . 6161 1 185 . 1 1 16 16 GLU HG2 H 1 2.54 0.03 . 1 . . . . 53 . . . 6161 1 186 . 1 1 16 16 GLU HG3 H 1 2.54 0.03 . 1 . . . . 53 . . . 6161 1 187 . 1 1 16 16 GLU N N 15 122.48 0.15 . 1 . . . . 53 . . . 6161 1 188 . 1 1 17 17 GLY CA C 13 46.60 0.12 . 1 . . . . 54 . . . 6161 1 189 . 1 1 17 17 GLY H H 1 8.35 0.03 . 1 . . . . 54 . . . 6161 1 190 . 1 1 17 17 GLY HA2 H 1 2.04 0.03 . 2 . . . . 54 . . . 6161 1 191 . 1 1 17 17 GLY HA3 H 1 2.94 0.03 . 2 . . . . 54 . . . 6161 1 192 . 1 1 17 17 GLY N N 15 108.56 0.15 . 1 . . . . 54 . . . 6161 1 193 . 1 1 18 18 LEU CA C 13 57.94 0.12 . 1 . . . . 55 . . . 6161 1 194 . 1 1 18 18 LEU CB C 13 42.21 0.12 . 1 . . . . 55 . . . 6161 1 195 . 1 1 18 18 LEU CD1 C 13 24.93 0.12 . 2 . . . . 55 . . . 6161 1 196 . 1 1 18 18 LEU CD2 C 13 26.84 0.12 . 2 . . . . 55 . . . 6161 1 197 . 1 1 18 18 LEU CG C 13 26.56 0.12 . 1 . . . . 55 . . . 6161 1 198 . 1 1 18 18 LEU H H 1 8.82 0.03 . 1 . . . . 55 . . . 6161 1 199 . 1 1 18 18 LEU HA H 1 3.81 0.03 . 1 . . . . 55 . . . 6161 1 200 . 1 1 18 18 LEU HB2 H 1 2.00 0.03 . 2 . . . . 55 . . . 6161 1 201 . 1 1 18 18 LEU HB3 H 1 1.36 0.03 . 2 . . . . 55 . . . 6161 1 202 . 1 1 18 18 LEU HD11 H 1 0.89 0.03 . 2 . . . . 55 . . . 6161 1 203 . 1 1 18 18 LEU HD12 H 1 0.89 0.03 . 2 . . . . 55 . . . 6161 1 204 . 1 1 18 18 LEU HD13 H 1 0.89 0.03 . 2 . . . . 55 . . . 6161 1 205 . 1 1 18 18 LEU HD21 H 1 0.51 0.03 . 2 . . . . 55 . . . 6161 1 206 . 1 1 18 18 LEU HD22 H 1 0.51 0.03 . 2 . . . . 55 . . . 6161 1 207 . 1 1 18 18 LEU HD23 H 1 0.51 0.03 . 2 . . . . 55 . . . 6161 1 208 . 1 1 18 18 LEU HG H 1 1.67 0.03 . 1 . . . . 55 . . . 6161 1 209 . 1 1 18 18 LEU N N 15 121.05 0.15 . 1 . . . . 55 . . . 6161 1 210 . 1 1 19 19 THR CA C 13 65.98 0.12 . 1 . . . . 56 . . . 6161 1 211 . 1 1 19 19 THR CB C 13 68.76 0.12 . 1 . . . . 56 . . . 6161 1 212 . 1 1 19 19 THR CG2 C 13 20.81 0.12 . 1 . . . . 56 . . . 6161 1 213 . 1 1 19 19 THR H H 1 8.27 0.03 . 1 . . . . 56 . . . 6161 1 214 . 1 1 19 19 THR HA H 1 3.82 0.03 . 1 . . . . 56 . . . 6161 1 215 . 1 1 19 19 THR HB H 1 4.27 0.03 . 1 . . . . 56 . . . 6161 1 216 . 1 1 19 19 THR HG21 H 1 1.22 0.03 . 1 . . . . 56 . . . 6161 1 217 . 1 1 19 19 THR HG22 H 1 1.22 0.03 . 1 . . . . 56 . . . 6161 1 218 . 1 1 19 19 THR HG23 H 1 1.22 0.03 . 1 . . . . 56 . . . 6161 1 219 . 1 1 19 19 THR N N 15 115.98 0.15 . 1 . . . . 56 . . . 6161 1 220 . 1 1 20 20 ALA CA C 13 54.60 0.12 . 1 . . . . 57 . . . 6161 1 221 . 1 1 20 20 ALA CB C 13 19.48 0.12 . 1 . . . . 57 . . . 6161 1 222 . 1 1 20 20 ALA H H 1 8.11 0.03 . 1 . . . . 57 . . . 6161 1 223 . 1 1 20 20 ALA HA H 1 4.10 0.03 . 1 . . . . 57 . . . 6161 1 224 . 1 1 20 20 ALA HB1 H 1 1.37 0.03 . 1 . . . . 57 . . . 6161 1 225 . 1 1 20 20 ALA HB2 H 1 1.37 0.03 . 1 . . . . 57 . . . 6161 1 226 . 1 1 20 20 ALA HB3 H 1 1.37 0.03 . 1 . . . . 57 . . . 6161 1 227 . 1 1 20 20 ALA N N 15 123.53 0.15 . 1 . . . . 57 . . . 6161 1 228 . 1 1 21 21 LEU CA C 13 56.83 0.12 . 1 . . . . 58 . . . 6161 1 229 . 1 1 21 21 LEU CB C 13 41.45 0.12 . 1 . . . . 58 . . . 6161 1 230 . 1 1 21 21 LEU CD1 C 13 22.15 0.12 . 2 . . . . 58 . . . 6161 1 231 . 1 1 21 21 LEU CD2 C 13 24.69 0.12 . 2 . . . . 58 . . . 6161 1 232 . 1 1 21 21 LEU CG C 13 27.51 0.12 . 1 . . . . 58 . . . 6161 1 233 . 1 1 21 21 LEU H H 1 8.07 0.03 . 1 . . . . 58 . . . 6161 1 234 . 1 1 21 21 LEU HA H 1 4.05 0.03 . 1 . . . . 58 . . . 6161 1 235 . 1 1 21 21 LEU HB2 H 1 1.73 0.03 . 2 . . . . 58 . . . 6161 1 236 . 1 1 21 21 LEU HB3 H 1 1.42 0.03 . 2 . . . . 58 . . . 6161 1 237 . 1 1 21 21 LEU HD11 H 1 0.76 0.03 . 2 . . . . 58 . . . 6161 1 238 . 1 1 21 21 LEU HD12 H 1 0.76 0.03 . 2 . . . . 58 . . . 6161 1 239 . 1 1 21 21 LEU HD13 H 1 0.76 0.03 . 2 . . . . 58 . . . 6161 1 240 . 1 1 21 21 LEU HD21 H 1 0.92 0.03 . 2 . . . . 58 . . . 6161 1 241 . 1 1 21 21 LEU HD22 H 1 0.92 0.03 . 2 . . . . 58 . . . 6161 1 242 . 1 1 21 21 LEU HD23 H 1 0.92 0.03 . 2 . . . . 58 . . . 6161 1 243 . 1 1 21 21 LEU HG H 1 1.75 0.03 . 1 . . . . 58 . . . 6161 1 244 . 1 1 21 21 LEU N N 15 116.57 0.15 . 1 . . . . 58 . . . 6161 1 245 . 1 1 22 22 LYS CA C 13 57.05 0.12 . 1 . . . . 59 . . . 6161 1 246 . 1 1 22 22 LYS CB C 13 31.33 0.12 . 1 . . . . 59 . . . 6161 1 247 . 1 1 22 22 LYS CE C 13 42.25 0.12 . 1 . . . . 59 . . . 6161 1 248 . 1 1 22 22 LYS CG C 13 29.67 0.12 . 1 . . . . 59 . . . 6161 1 249 . 1 1 22 22 LYS H H 1 7.28 0.03 . 1 . . . . 59 . . . 6161 1 250 . 1 1 22 22 LYS HA H 1 3.82 0.03 . 1 . . . . 59 . . . 6161 1 251 . 1 1 22 22 LYS HB2 H 1 1.96 0.03 . 2 . . . . 59 . . . 6161 1 252 . 1 1 22 22 LYS HB3 H 1 1.78 0.03 . 2 . . . . 59 . . . 6161 1 253 . 1 1 22 22 LYS HD2 H 1 1.69 0.03 . 1 . . . . 59 . . . 6161 1 254 . 1 1 22 22 LYS HD3 H 1 1.69 0.03 . 1 . . . . 59 . . . 6161 1 255 . 1 1 22 22 LYS HE2 H 1 3.04 0.03 . 1 . . . . 59 . . . 6161 1 256 . 1 1 22 22 LYS HE3 H 1 3.04 0.03 . 1 . . . . 59 . . . 6161 1 257 . 1 1 22 22 LYS HG2 H 1 1.40 0.03 . 1 . . . . 59 . . . 6161 1 258 . 1 1 22 22 LYS HG3 H 1 1.40 0.03 . 1 . . . . 59 . . . 6161 1 259 . 1 1 22 22 LYS N N 15 113.78 0.15 . 1 . . . . 59 . . . 6161 1 260 . 1 1 23 23 GLU CA C 13 56.25 0.12 . 1 . . . . 60 . . . 6161 1 261 . 1 1 23 23 GLU CB C 13 29.92 0.12 . 1 . . . . 60 . . . 6161 1 262 . 1 1 23 23 GLU CG C 13 38.30 0.12 . 1 . . . . 60 . . . 6161 1 263 . 1 1 23 23 GLU H H 1 8.45 0.03 . 1 . . . . 60 . . . 6161 1 264 . 1 1 23 23 GLU HA H 1 4.43 0.03 . 1 . . . . 60 . . . 6161 1 265 . 1 1 23 23 GLU HB2 H 1 1.71 0.03 . 2 . . . . 60 . . . 6161 1 266 . 1 1 23 23 GLU HB3 H 1 1.93 0.03 . 2 . . . . 60 . . . 6161 1 267 . 1 1 23 23 GLU HG2 H 1 2.04 0.03 . 2 . . . . 60 . . . 6161 1 268 . 1 1 23 23 GLU HG3 H 1 2.13 0.03 . 2 . . . . 60 . . . 6161 1 269 . 1 1 23 23 GLU N N 15 119.17 0.15 . 1 . . . . 60 . . . 6161 1 270 . 1 1 24 24 ARG CA C 13 59.52 0.12 . 1 . . . . 61 . . . 6161 1 271 . 1 1 24 24 ARG CB C 13 30.04 0.12 . 1 . . . . 61 . . . 6161 1 272 . 1 1 24 24 ARG CD C 13 42.96 0.12 . 1 . . . . 61 . . . 6161 1 273 . 1 1 24 24 ARG CG C 13 27.24 0.12 . 1 . . . . 61 . . . 6161 1 274 . 1 1 24 24 ARG H H 1 9.06 0.03 . 1 . . . . 61 . . . 6161 1 275 . 1 1 24 24 ARG HA H 1 4.01 0.03 . 1 . . . . 61 . . . 6161 1 276 . 1 1 24 24 ARG HB2 H 1 1.90 0.03 . 1 . . . . 61 . . . 6161 1 277 . 1 1 24 24 ARG HB3 H 1 1.90 0.03 . 1 . . . . 61 . . . 6161 1 278 . 1 1 24 24 ARG HD2 H 1 3.23 0.03 . 1 . . . . 61 . . . 6161 1 279 . 1 1 24 24 ARG HD3 H 1 3.23 0.03 . 1 . . . . 61 . . . 6161 1 280 . 1 1 24 24 ARG HG2 H 1 1.69 0.03 . 1 . . . . 61 . . . 6161 1 281 . 1 1 24 24 ARG HG3 H 1 1.69 0.03 . 1 . . . . 61 . . . 6161 1 282 . 1 1 24 24 ARG N N 15 127.67 0.15 . 1 . . . . 61 . . . 6161 1 283 . 1 1 25 25 LYS CA C 13 55.81 0.12 . 1 . . . . 62 . . . 6161 1 284 . 1 1 25 25 LYS CB C 13 31.55 0.12 . 1 . . . . 62 . . . 6161 1 285 . 1 1 25 25 LYS CD C 13 29.11 0.12 . 1 . . . . 62 . . . 6161 1 286 . 1 1 25 25 LYS CE C 13 41.84 0.12 . 1 . . . . 62 . . . 6161 1 287 . 1 1 25 25 LYS CG C 13 24.98 0.12 . 1 . . . . 62 . . . 6161 1 288 . 1 1 25 25 LYS H H 1 8.66 0.03 . 1 . . . . 62 . . . 6161 1 289 . 1 1 25 25 LYS HA H 1 4.37 0.03 . 1 . . . . 62 . . . 6161 1 290 . 1 1 25 25 LYS HB2 H 1 1.74 0.03 . 1 . . . . 62 . . . 6161 1 291 . 1 1 25 25 LYS HB3 H 1 1.74 0.03 . 1 . . . . 62 . . . 6161 1 292 . 1 1 25 25 LYS HE2 H 1 2.93 0.03 . 1 . . . . 62 . . . 6161 1 293 . 1 1 25 25 LYS HE3 H 1 2.93 0.03 . 1 . . . . 62 . . . 6161 1 294 . 1 1 25 25 LYS HG2 H 1 1.41 0.03 . 1 . . . . 62 . . . 6161 1 295 . 1 1 25 25 LYS HG3 H 1 1.41 0.03 . 1 . . . . 62 . . . 6161 1 296 . 1 1 25 25 LYS N N 15 115.49 0.15 . 1 . . . . 62 . . . 6161 1 297 . 1 1 26 26 GLY CA C 13 44.19 0.12 . 1 . . . . 63 . . . 6161 1 298 . 1 1 26 26 GLY H H 1 7.30 0.03 . 1 . . . . 63 . . . 6161 1 299 . 1 1 26 26 GLY HA2 H 1 3.94 0.03 . 2 . . . . 63 . . . 6161 1 300 . 1 1 26 26 GLY HA3 H 1 4.09 0.03 . 2 . . . . 63 . . . 6161 1 301 . 1 1 26 26 GLY N N 15 105.96 0.15 . 1 . . . . 63 . . . 6161 1 302 . 1 1 27 27 SER CA C 13 57.39 0.12 . 1 . . . . 64 . . . 6161 1 303 . 1 1 27 27 SER CB C 13 66.06 0.12 . 1 . . . . 64 . . . 6161 1 304 . 1 1 27 27 SER H H 1 8.60 0.03 . 1 . . . . 64 . . . 6161 1 305 . 1 1 27 27 SER HA H 1 5.00 0.03 . 1 . . . . 64 . . . 6161 1 306 . 1 1 27 27 SER HB2 H 1 3.33 0.03 . 2 . . . . 64 . . . 6161 1 307 . 1 1 27 27 SER HB3 H 1 3.83 0.03 . 2 . . . . 64 . . . 6161 1 308 . 1 1 27 27 SER N N 15 114.22 0.15 . 1 . . . . 64 . . . 6161 1 309 . 1 1 28 28 SER CA C 13 57.30 0.12 . 1 . . . . 65 . . . 6161 1 310 . 1 1 28 28 SER CB C 13 64.54 0.12 . 1 . . . . 65 . . . 6161 1 311 . 1 1 28 28 SER H H 1 9.43 0.03 . 1 . . . . 65 . . . 6161 1 312 . 1 1 28 28 SER HA H 1 4.30 0.03 . 1 . . . . 65 . . . 6161 1 313 . 1 1 28 28 SER HB2 H 1 4.05 0.03 . 1 . . . . 65 . . . 6161 1 314 . 1 1 28 28 SER HB3 H 1 4.05 0.03 . 1 . . . . 65 . . . 6161 1 315 . 1 1 28 28 SER N N 15 121.05 0.15 . 1 . . . . 65 . . . 6161 1 316 . 1 1 29 29 ARG CA C 13 62.07 0.12 . 1 . . . . 66 . . . 6161 1 317 . 1 1 29 29 ARG CB C 13 29.72 0.12 . 1 . . . . 66 . . . 6161 1 318 . 1 1 29 29 ARG CD C 13 43.48 0.12 . 1 . . . . 66 . . . 6161 1 319 . 1 1 29 29 ARG CG C 13 27.78 0.12 . 1 . . . . 66 . . . 6161 1 320 . 1 1 29 29 ARG H H 1 9.37 0.03 . 1 . . . . 66 . . . 6161 1 321 . 1 1 29 29 ARG HA H 1 4.26 0.03 . 1 . . . . 66 . . . 6161 1 322 . 1 1 29 29 ARG HB2 H 1 1.55 0.03 . 2 . . . . 66 . . . 6161 1 323 . 1 1 29 29 ARG HB3 H 1 1.63 0.03 . 2 . . . . 66 . . . 6161 1 324 . 1 1 29 29 ARG HD2 H 1 3.38 0.03 . 2 . . . . 66 . . . 6161 1 325 . 1 1 29 29 ARG HD3 H 1 3.35 0.03 . 2 . . . . 66 . . . 6161 1 326 . 1 1 29 29 ARG HE H 1 7.65 0.03 . 1 . . . . 66 . . . 6161 1 327 . 1 1 29 29 ARG HG2 H 1 2.16 0.03 . 2 . . . . 66 . . . 6161 1 328 . 1 1 29 29 ARG HG3 H 1 1.99 0.03 . 2 . . . . 66 . . . 6161 1 329 . 1 1 29 29 ARG N N 15 118.23 0.15 . 1 . . . . 66 . . . 6161 1 330 . 1 1 29 29 ARG NE N 15 84.10 0.15 . 1 . . . . 66 . . . 6161 1 331 . 1 1 30 30 PRO CA C 13 66.15 0.12 . 1 . . . . 67 . . . 6161 1 332 . 1 1 30 30 PRO CB C 13 31.06 0.12 . 1 . . . . 67 . . . 6161 1 333 . 1 1 30 30 PRO CD C 13 50.04 0.12 . 1 . . . . 67 . . . 6161 1 334 . 1 1 30 30 PRO CG C 13 28.26 0.12 . 1 . . . . 67 . . . 6161 1 335 . 1 1 30 30 PRO HA H 1 4.12 0.03 . 1 . . . . 67 . . . 6161 1 336 . 1 1 30 30 PRO HB2 H 1 1.80 0.03 . 2 . . . . 67 . . . 6161 1 337 . 1 1 30 30 PRO HB3 H 1 2.34 0.03 . 2 . . . . 67 . . . 6161 1 338 . 1 1 30 30 PRO HD2 H 1 3.84 0.03 . 1 . . . . 67 . . . 6161 1 339 . 1 1 30 30 PRO HD3 H 1 3.84 0.03 . 1 . . . . 67 . . . 6161 1 340 . 1 1 30 30 PRO HG2 H 1 2.18 0.03 . 2 . . . . 67 . . . 6161 1 341 . 1 1 30 30 PRO HG3 H 1 1.96 0.03 . 2 . . . . 67 . . . 6161 1 342 . 1 1 31 31 ALA CA C 13 55.28 0.12 . 1 . . . . 68 . . . 6161 1 343 . 1 1 31 31 ALA CB C 13 18.45 0.12 . 1 . . . . 68 . . . 6161 1 344 . 1 1 31 31 ALA H H 1 7.90 0.03 . 1 . . . . 68 . . . 6161 1 345 . 1 1 31 31 ALA HA H 1 4.11 0.03 . 1 . . . . 68 . . . 6161 1 346 . 1 1 31 31 ALA HB1 H 1 1.56 0.03 . 1 . . . . 68 . . . 6161 1 347 . 1 1 31 31 ALA HB2 H 1 1.56 0.03 . 1 . . . . 68 . . . 6161 1 348 . 1 1 31 31 ALA HB3 H 1 1.56 0.03 . 1 . . . . 68 . . . 6161 1 349 . 1 1 31 31 ALA N N 15 121.35 0.15 . 1 . . . . 68 . . . 6161 1 350 . 1 1 32 32 LEU CA C 13 57.54 0.12 . 1 . . . . 69 . . . 6161 1 351 . 1 1 32 32 LEU CB C 13 42.84 0.12 . 1 . . . . 69 . . . 6161 1 352 . 1 1 32 32 LEU CD1 C 13 24.85 0.12 . 1 . . . . 69 . . . 6161 1 353 . 1 1 32 32 LEU CD2 C 13 24.85 0.12 . 1 . . . . 69 . . . 6161 1 354 . 1 1 32 32 LEU CG C 13 26.70 0.12 . 1 . . . . 69 . . . 6161 1 355 . 1 1 32 32 LEU H H 1 8.17 0.03 . 1 . . . . 69 . . . 6161 1 356 . 1 1 32 32 LEU HA H 1 4.17 0.03 . 1 . . . . 69 . . . 6161 1 357 . 1 1 32 32 LEU HB2 H 1 1.66 0.03 . 2 . . . . 69 . . . 6161 1 358 . 1 1 32 32 LEU HB3 H 1 2.36 0.03 . 2 . . . . 69 . . . 6161 1 359 . 1 1 32 32 LEU HD11 H 1 0.76 0.03 . 1 . . . . 69 . . . 6161 1 360 . 1 1 32 32 LEU HD12 H 1 0.76 0.03 . 1 . . . . 69 . . . 6161 1 361 . 1 1 32 32 LEU HD13 H 1 0.76 0.03 . 1 . . . . 69 . . . 6161 1 362 . 1 1 32 32 LEU HD21 H 1 0.76 0.03 . 1 . . . . 69 . . . 6161 1 363 . 1 1 32 32 LEU HD22 H 1 0.76 0.03 . 1 . . . . 69 . . . 6161 1 364 . 1 1 32 32 LEU HD23 H 1 0.76 0.03 . 1 . . . . 69 . . . 6161 1 365 . 1 1 32 32 LEU HG H 1 1.78 0.03 . 1 . . . . 69 . . . 6161 1 366 . 1 1 32 32 LEU N N 15 120.13 0.15 . 1 . . . . 69 . . . 6161 1 367 . 1 1 33 33 LYS CA C 13 61.05 0.12 . 1 . . . . 70 . . . 6161 1 368 . 1 1 33 33 LYS CB C 13 32.61 0.12 . 1 . . . . 70 . . . 6161 1 369 . 1 1 33 33 LYS CD C 13 29.78 0.12 . 1 . . . . 70 . . . 6161 1 370 . 1 1 33 33 LYS CE C 13 42.22 0.12 . 1 . . . . 70 . . . 6161 1 371 . 1 1 33 33 LYS CG C 13 25.34 0.12 . 1 . . . . 70 . . . 6161 1 372 . 1 1 33 33 LYS H H 1 8.60 0.03 . 1 . . . . 70 . . . 6161 1 373 . 1 1 33 33 LYS HA H 1 3.67 0.03 . 1 . . . . 70 . . . 6161 1 374 . 1 1 33 33 LYS HB2 H 1 1.65 0.03 . 1 . . . . 70 . . . 6161 1 375 . 1 1 33 33 LYS HB3 H 1 1.65 0.03 . 1 . . . . 70 . . . 6161 1 376 . 1 1 33 33 LYS HD2 H 1 1.42 0.03 . 1 . . . . 70 . . . 6161 1 377 . 1 1 33 33 LYS HD3 H 1 1.42 0.03 . 1 . . . . 70 . . . 6161 1 378 . 1 1 33 33 LYS HE2 H 1 2.48 0.03 . 2 . . . . 70 . . . 6161 1 379 . 1 1 33 33 LYS HE3 H 1 2.43 0.03 . 2 . . . . 70 . . . 6161 1 380 . 1 1 33 33 LYS HG2 H 1 0.19 0.03 . 2 . . . . 70 . . . 6161 1 381 . 1 1 33 33 LYS HG3 H 1 0.91 0.03 . 2 . . . . 70 . . . 6161 1 382 . 1 1 33 33 LYS N N 15 119.18 0.15 . 1 . . . . 70 . . . 6161 1 383 . 1 1 34 34 LYS CA C 13 59.65 0.12 . 1 . . . . 71 . . . 6161 1 384 . 1 1 34 34 LYS CB C 13 32.48 0.12 . 1 . . . . 71 . . . 6161 1 385 . 1 1 34 34 LYS CD C 13 29.67 0.12 . 1 . . . . 71 . . . 6161 1 386 . 1 1 34 34 LYS CE C 13 41.99 0.12 . 1 . . . . 71 . . . 6161 1 387 . 1 1 34 34 LYS CG C 13 24.61 0.12 . 1 . . . . 71 . . . 6161 1 388 . 1 1 34 34 LYS H H 1 8.08 0.03 . 1 . . . . 71 . . . 6161 1 389 . 1 1 34 34 LYS HA H 1 3.87 0.03 . 1 . . . . 71 . . . 6161 1 390 . 1 1 34 34 LYS HB2 H 1 1.99 0.03 . 2 . . . . 71 . . . 6161 1 391 . 1 1 34 34 LYS HB3 H 1 1.83 0.03 . 2 . . . . 71 . . . 6161 1 392 . 1 1 34 34 LYS HD2 H 1 1.66 0.03 . 1 . . . . 71 . . . 6161 1 393 . 1 1 34 34 LYS HD3 H 1 1.66 0.03 . 1 . . . . 71 . . . 6161 1 394 . 1 1 34 34 LYS HE2 H 1 2.96 0.03 . 1 . . . . 71 . . . 6161 1 395 . 1 1 34 34 LYS HE3 H 1 2.96 0.03 . 1 . . . . 71 . . . 6161 1 396 . 1 1 34 34 LYS HG2 H 1 1.41 0.03 . 2 . . . . 71 . . . 6161 1 397 . 1 1 34 34 LYS HG3 H 1 1.26 0.03 . 2 . . . . 71 . . . 6161 1 398 . 1 1 34 34 LYS N N 15 119.01 0.15 . 1 . . . . 71 . . . 6161 1 399 . 1 1 35 35 PHE CA C 13 61.84 0.12 . 1 . . . . 72 . . . 6161 1 400 . 1 1 35 35 PHE CB C 13 38.74 0.12 . 1 . . . . 72 . . . 6161 1 401 . 1 1 35 35 PHE CD1 C 13 131.69 0.12 . 1 . . . . 72 . . . 6161 1 402 . 1 1 35 35 PHE CD2 C 13 131.69 0.12 . 1 . . . . 72 . . . 6161 1 403 . 1 1 35 35 PHE CE1 C 13 131.65 0.12 . 1 . . . . 72 . . . 6161 1 404 . 1 1 35 35 PHE CE2 C 13 131.65 0.12 . 1 . . . . 72 . . . 6161 1 405 . 1 1 35 35 PHE CZ C 13 131.03 0.12 . 1 . . . . 72 . . . 6161 1 406 . 1 1 35 35 PHE H H 1 7.89 0.03 . 1 . . . . 72 . . . 6161 1 407 . 1 1 35 35 PHE HA H 1 4.20 0.03 . 1 . . . . 72 . . . 6161 1 408 . 1 1 35 35 PHE HB2 H 1 3.46 0.03 . 2 . . . . 72 . . . 6161 1 409 . 1 1 35 35 PHE HB3 H 1 3.24 0.03 . 2 . . . . 72 . . . 6161 1 410 . 1 1 35 35 PHE HD1 H 1 7.21 0.03 . 1 . . . . 72 . . . 6161 1 411 . 1 1 35 35 PHE HD2 H 1 7.21 0.03 . 1 . . . . 72 . . . 6161 1 412 . 1 1 35 35 PHE HE1 H 1 7.35 0.03 . 1 . . . . 72 . . . 6161 1 413 . 1 1 35 35 PHE HE2 H 1 7.35 0.03 . 1 . . . . 72 . . . 6161 1 414 . 1 1 35 35 PHE HZ H 1 7.39 0.03 . 1 . . . . 72 . . . 6161 1 415 . 1 1 35 35 PHE N N 15 117.80 0.15 . 1 . . . . 72 . . . 6161 1 416 . 1 1 36 36 ILE CA C 13 66.45 0.12 . 1 . . . . 73 . . . 6161 1 417 . 1 1 36 36 ILE CB C 13 38.28 0.12 . 1 . . . . 73 . . . 6161 1 418 . 1 1 36 36 ILE CD1 C 13 14.04 0.12 . 1 . . . . 73 . . . 6161 1 419 . 1 1 36 36 ILE CG1 C 13 29.84 0.12 . 1 . . . . 73 . . . 6161 1 420 . 1 1 36 36 ILE CG2 C 13 18.45 0.12 . 1 . . . . 73 . . . 6161 1 421 . 1 1 36 36 ILE H H 1 8.23 0.03 . 1 . . . . 73 . . . 6161 1 422 . 1 1 36 36 ILE HA H 1 3.62 0.03 . 1 . . . . 73 . . . 6161 1 423 . 1 1 36 36 ILE HB H 1 2.10 0.03 . 1 . . . . 73 . . . 6161 1 424 . 1 1 36 36 ILE HD11 H 1 1.18 0.03 . 1 . . . . 73 . . . 6161 1 425 . 1 1 36 36 ILE HD12 H 1 1.18 0.03 . 1 . . . . 73 . . . 6161 1 426 . 1 1 36 36 ILE HD13 H 1 1.18 0.03 . 1 . . . . 73 . . . 6161 1 427 . 1 1 36 36 ILE HG12 H 1 2.52 0.03 . 2 . . . . 73 . . . 6161 1 428 . 1 1 36 36 ILE HG13 H 1 1.13 0.03 . 2 . . . . 73 . . . 6161 1 429 . 1 1 36 36 ILE HG21 H 1 0.99 0.03 . 1 . . . . 73 . . . 6161 1 430 . 1 1 36 36 ILE HG22 H 1 0.99 0.03 . 1 . . . . 73 . . . 6161 1 431 . 1 1 36 36 ILE HG23 H 1 0.99 0.03 . 1 . . . . 73 . . . 6161 1 432 . 1 1 36 36 ILE N N 15 119.57 0.15 . 1 . . . . 73 . . . 6161 1 433 . 1 1 37 37 LYS CA C 13 60.54 0.12 . 1 . . . . 74 . . . 6161 1 434 . 1 1 37 37 LYS CB C 13 32.12 0.12 . 1 . . . . 74 . . . 6161 1 435 . 1 1 37 37 LYS CD C 13 29.31 0.12 . 1 . . . . 74 . . . 6161 1 436 . 1 1 37 37 LYS CE C 13 41.80 0.12 . 1 . . . . 74 . . . 6161 1 437 . 1 1 37 37 LYS CG C 13 26.26 0.12 . 1 . . . . 74 . . . 6161 1 438 . 1 1 37 37 LYS H H 1 8.66 0.03 . 1 . . . . 74 . . . 6161 1 439 . 1 1 37 37 LYS HA H 1 3.46 0.03 . 1 . . . . 74 . . . 6161 1 440 . 1 1 37 37 LYS HB2 H 1 1.66 0.03 . 1 . . . . 74 . . . 6161 1 441 . 1 1 37 37 LYS HB3 H 1 1.66 0.03 . 1 . . . . 74 . . . 6161 1 442 . 1 1 37 37 LYS HD2 H 1 1.37 0.03 . 1 . . . . 74 . . . 6161 1 443 . 1 1 37 37 LYS HD3 H 1 1.37 0.03 . 1 . . . . 74 . . . 6161 1 444 . 1 1 37 37 LYS HE2 H 1 2.63 0.03 . 2 . . . . 74 . . . 6161 1 445 . 1 1 37 37 LYS HE3 H 1 2.45 0.03 . 2 . . . . 74 . . . 6161 1 446 . 1 1 37 37 LYS HG2 H 1 1.24 0.03 . 2 . . . . 74 . . . 6161 1 447 . 1 1 37 37 LYS HG3 H 1 0.86 0.03 . 2 . . . . 74 . . . 6161 1 448 . 1 1 37 37 LYS N N 15 117.78 0.15 . 1 . . . . 74 . . . 6161 1 449 . 1 1 38 38 GLU CA C 13 58.22 0.12 . 1 . . . . 75 . . . 6161 1 450 . 1 1 38 38 GLU CB C 13 29.77 0.12 . 1 . . . . 75 . . . 6161 1 451 . 1 1 38 38 GLU CG C 13 36.70 0.12 . 1 . . . . 75 . . . 6161 1 452 . 1 1 38 38 GLU H H 1 8.11 0.03 . 1 . . . . 75 . . . 6161 1 453 . 1 1 38 38 GLU HA H 1 3.87 0.03 . 1 . . . . 75 . . . 6161 1 454 . 1 1 38 38 GLU HB2 H 1 1.70 0.03 . 2 . . . . 75 . . . 6161 1 455 . 1 1 38 38 GLU HB3 H 1 1.88 0.03 . 2 . . . . 75 . . . 6161 1 456 . 1 1 38 38 GLU HG2 H 1 2.36 0.03 . 2 . . . . 75 . . . 6161 1 457 . 1 1 38 38 GLU HG3 H 1 2.05 0.03 . 2 . . . . 75 . . . 6161 1 458 . 1 1 38 38 GLU N N 15 113.69 0.15 . 1 . . . . 75 . . . 6161 1 459 . 1 1 39 39 ASN CA C 13 55.26 0.12 . 1 . . . . 76 . . . 6161 1 460 . 1 1 39 39 ASN CB C 13 40.40 0.12 . 1 . . . . 76 . . . 6161 1 461 . 1 1 39 39 ASN H H 1 7.35 0.03 . 1 . . . . 76 . . . 6161 1 462 . 1 1 39 39 ASN HA H 1 4.22 0.03 . 1 . . . . 76 . . . 6161 1 463 . 1 1 39 39 ASN HB2 H 1 1.80 0.03 . 2 . . . . 76 . . . 6161 1 464 . 1 1 39 39 ASN HB3 H 1 1.91 0.03 . 2 . . . . 76 . . . 6161 1 465 . 1 1 39 39 ASN HD21 H 1 6.84 0.03 . 1 . . . . 76 . . . 6161 1 466 . 1 1 39 39 ASN HD22 H 1 6.51 0.03 . 1 . . . . 76 . . . 6161 1 467 . 1 1 39 39 ASN N N 15 114.12 0.15 . 1 . . . . 76 . . . 6161 1 468 . 1 1 39 39 ASN ND2 N 15 117.63 0.15 . 1 . . . . 76 . . . 6161 1 469 . 1 1 40 40 TYR CA C 13 55.89 0.12 . 1 . . . . 77 . . . 6161 1 470 . 1 1 40 40 TYR CB C 13 37.76 0.12 . 1 . . . . 77 . . . 6161 1 471 . 1 1 40 40 TYR CD1 C 13 133.23 0.12 . 1 . . . . 77 . . . 6161 1 472 . 1 1 40 40 TYR CD2 C 13 133.23 0.12 . 1 . . . . 77 . . . 6161 1 473 . 1 1 40 40 TYR CE1 C 13 118.43 0.12 . 1 . . . . 77 . . . 6161 1 474 . 1 1 40 40 TYR CE2 C 13 118.43 0.12 . 1 . . . . 77 . . . 6161 1 475 . 1 1 40 40 TYR H H 1 8.61 0.03 . 1 . . . . 77 . . . 6161 1 476 . 1 1 40 40 TYR HA H 1 4.82 0.03 . 1 . . . . 77 . . . 6161 1 477 . 1 1 40 40 TYR HB2 H 1 2.90 0.03 . 1 . . . . 77 . . . 6161 1 478 . 1 1 40 40 TYR HB3 H 1 2.90 0.03 . 1 . . . . 77 . . . 6161 1 479 . 1 1 40 40 TYR HD1 H 1 6.96 0.03 . 1 . . . . 77 . . . 6161 1 480 . 1 1 40 40 TYR HD2 H 1 6.96 0.03 . 1 . . . . 77 . . . 6161 1 481 . 1 1 40 40 TYR HE1 H 1 6.74 0.03 . 1 . . . . 77 . . . 6161 1 482 . 1 1 40 40 TYR HE2 H 1 6.75 0.03 . 1 . . . . 77 . . . 6161 1 483 . 1 1 40 40 TYR N N 15 117.98 0.15 . 1 . . . . 77 . . . 6161 1 484 . 1 1 41 41 PRO CA C 13 65.02 0.12 . 1 . . . . 78 . . . 6161 1 485 . 1 1 41 41 PRO CB C 13 31.68 0.12 . 1 . . . . 78 . . . 6161 1 486 . 1 1 41 41 PRO CD C 13 49.88 0.12 . 1 . . . . 78 . . . 6161 1 487 . 1 1 41 41 PRO CG C 13 27.30 0.12 . 1 . . . . 78 . . . 6161 1 488 . 1 1 41 41 PRO HA H 1 4.29 0.03 . 1 . . . . 78 . . . 6161 1 489 . 1 1 41 41 PRO HB2 H 1 2.24 0.03 . 2 . . . . 78 . . . 6161 1 490 . 1 1 41 41 PRO HB3 H 1 2.30 0.03 . 2 . . . . 78 . . . 6161 1 491 . 1 1 41 41 PRO HD2 H 1 3.52 0.03 . 2 . . . . 78 . . . 6161 1 492 . 1 1 41 41 PRO HD3 H 1 3.04 0.03 . 2 . . . . 78 . . . 6161 1 493 . 1 1 41 41 PRO HG2 H 1 1.89 0.03 . 1 . . . . 78 . . . 6161 1 494 . 1 1 41 41 PRO HG3 H 1 1.89 0.03 . 1 . . . . 78 . . . 6161 1 495 . 1 1 42 42 ILE CA C 13 63.86 0.12 . 1 . . . . 79 . . . 6161 1 496 . 1 1 42 42 ILE CB C 13 37.05 0.12 . 1 . . . . 79 . . . 6161 1 497 . 1 1 42 42 ILE CD1 C 13 12.39 0.12 . 1 . . . . 79 . . . 6161 1 498 . 1 1 42 42 ILE CG1 C 13 28.74 0.12 . 1 . . . . 79 . . . 6161 1 499 . 1 1 42 42 ILE CG2 C 13 17.40 0.12 . 1 . . . . 79 . . . 6161 1 500 . 1 1 42 42 ILE H H 1 8.44 0.03 . 1 . . . . 79 . . . 6161 1 501 . 1 1 42 42 ILE HA H 1 3.83 0.03 . 1 . . . . 79 . . . 6161 1 502 . 1 1 42 42 ILE HB H 1 1.95 0.03 . 1 . . . . 79 . . . 6161 1 503 . 1 1 42 42 ILE HD11 H 1 0.87 0.03 . 1 . . . . 79 . . . 6161 1 504 . 1 1 42 42 ILE HD12 H 1 0.87 0.03 . 1 . . . . 79 . . . 6161 1 505 . 1 1 42 42 ILE HD13 H 1 0.87 0.03 . 1 . . . . 79 . . . 6161 1 506 . 1 1 42 42 ILE HG12 H 1 1.55 0.03 . 2 . . . . 79 . . . 6161 1 507 . 1 1 42 42 ILE HG13 H 1 1.22 0.03 . 2 . . . . 79 . . . 6161 1 508 . 1 1 42 42 ILE HG21 H 1 0.92 0.03 . 1 . . . . 79 . . . 6161 1 509 . 1 1 42 42 ILE HG22 H 1 0.92 0.03 . 1 . . . . 79 . . . 6161 1 510 . 1 1 42 42 ILE HG23 H 1 0.92 0.03 . 1 . . . . 79 . . . 6161 1 511 . 1 1 42 42 ILE N N 15 118.23 0.15 . 1 . . . . 79 . . . 6161 1 512 . 1 1 43 43 VAL CA C 13 65.53 0.12 . 1 . . . . 80 . . . 6161 1 513 . 1 1 43 43 VAL CB C 13 31.82 0.12 . 1 . . . . 80 . . . 6161 1 514 . 1 1 43 43 VAL CG1 C 13 20.82 0.12 . 2 . . . . 80 . . . 6161 1 515 . 1 1 43 43 VAL CG2 C 13 21.89 0.12 . 2 . . . . 80 . . . 6161 1 516 . 1 1 43 43 VAL H H 1 7.26 0.03 . 1 . . . . 80 . . . 6161 1 517 . 1 1 43 43 VAL HA H 1 3.85 0.03 . 1 . . . . 80 . . . 6161 1 518 . 1 1 43 43 VAL HB H 1 2.10 0.03 . 1 . . . . 80 . . . 6161 1 519 . 1 1 43 43 VAL HG11 H 1 0.93 0.03 . 2 . . . . 80 . . . 6161 1 520 . 1 1 43 43 VAL HG12 H 1 0.93 0.03 . 2 . . . . 80 . . . 6161 1 521 . 1 1 43 43 VAL HG13 H 1 0.93 0.03 . 2 . . . . 80 . . . 6161 1 522 . 1 1 43 43 VAL HG21 H 1 0.80 0.03 . 2 . . . . 80 . . . 6161 1 523 . 1 1 43 43 VAL HG22 H 1 0.80 0.03 . 2 . . . . 80 . . . 6161 1 524 . 1 1 43 43 VAL HG23 H 1 0.80 0.03 . 2 . . . . 80 . . . 6161 1 525 . 1 1 43 43 VAL N N 15 121.71 0.15 . 1 . . . . 80 . . . 6161 1 526 . 1 1 44 44 GLY CA C 13 46.19 0.12 . 1 . . . . 81 . . . 6161 1 527 . 1 1 44 44 GLY H H 1 8.24 0.03 . 1 . . . . 81 . . . 6161 1 528 . 1 1 44 44 GLY HA2 H 1 2.96 0.03 . 2 . . . . 81 . . . 6161 1 529 . 1 1 44 44 GLY HA3 H 1 3.09 0.03 . 2 . . . . 81 . . . 6161 1 530 . 1 1 44 44 GLY N N 15 101.09 0.15 . 1 . . . . 81 . . . 6161 1 531 . 1 1 45 45 SER CA C 13 58.04 0.12 . 1 . . . . 82 . . . 6161 1 532 . 1 1 45 45 SER CB C 13 63.87 0.12 . 1 . . . . 82 . . . 6161 1 533 . 1 1 45 45 SER H H 1 7.45 0.03 . 1 . . . . 82 . . . 6161 1 534 . 1 1 45 45 SER HA H 1 4.43 0.03 . 1 . . . . 82 . . . 6161 1 535 . 1 1 45 45 SER HB2 H 1 3.94 0.03 . 2 . . . . 82 . . . 6161 1 536 . 1 1 45 45 SER HB3 H 1 3.97 0.03 . 2 . . . . 82 . . . 6161 1 537 . 1 1 45 45 SER N N 15 111.22 0.15 . 1 . . . . 82 . . . 6161 1 538 . 1 1 46 46 ALA CA C 13 52.71 0.12 . 1 . . . . 83 . . . 6161 1 539 . 1 1 46 46 ALA CB C 13 19.08 0.12 . 1 . . . . 83 . . . 6161 1 540 . 1 1 46 46 ALA H H 1 7.61 0.03 . 1 . . . . 83 . . . 6161 1 541 . 1 1 46 46 ALA HA H 1 4.35 0.03 . 1 . . . . 83 . . . 6161 1 542 . 1 1 46 46 ALA HB1 H 1 1.76 0.03 . 1 . . . . 83 . . . 6161 1 543 . 1 1 46 46 ALA HB2 H 1 1.76 0.03 . 1 . . . . 83 . . . 6161 1 544 . 1 1 46 46 ALA HB3 H 1 1.76 0.03 . 1 . . . . 83 . . . 6161 1 545 . 1 1 46 46 ALA N N 15 126.06 0.15 . 1 . . . . 83 . . . 6161 1 546 . 1 1 47 47 SER CA C 13 61.09 0.12 . 1 . . . . 84 . . . 6161 1 547 . 1 1 47 47 SER CB C 13 62.55 0.12 . 1 . . . . 84 . . . 6161 1 548 . 1 1 47 47 SER H H 1 9.24 0.03 . 1 . . . . 84 . . . 6161 1 549 . 1 1 47 47 SER HA H 1 4.24 0.03 . 1 . . . . 84 . . . 6161 1 550 . 1 1 47 47 SER HB2 H 1 3.95 0.03 . 1 . . . . 84 . . . 6161 1 551 . 1 1 47 47 SER HB3 H 1 3.95 0.03 . 1 . . . . 84 . . . 6161 1 552 . 1 1 47 47 SER N N 15 120.09 0.15 . 1 . . . . 84 . . . 6161 1 553 . 1 1 48 48 ASN CA C 13 52.20 0.12 . 1 . . . . 85 . . . 6161 1 554 . 1 1 48 48 ASN CB C 13 37.45 0.12 . 1 . . . . 85 . . . 6161 1 555 . 1 1 48 48 ASN H H 1 8.26 0.03 . 1 . . . . 85 . . . 6161 1 556 . 1 1 48 48 ASN HA H 1 4.89 0.03 . 1 . . . . 85 . . . 6161 1 557 . 1 1 48 48 ASN HB2 H 1 2.54 0.03 . 2 . . . . 85 . . . 6161 1 558 . 1 1 48 48 ASN HB3 H 1 2.40 0.03 . 2 . . . . 85 . . . 6161 1 559 . 1 1 48 48 ASN HD21 H 1 7.18 0.03 . 1 . . . . 85 . . . 6161 1 560 . 1 1 48 48 ASN HD22 H 1 6.91 0.03 . 1 . . . . 85 . . . 6161 1 561 . 1 1 48 48 ASN N N 15 116.17 0.15 . 1 . . . . 85 . . . 6161 1 562 . 1 1 48 48 ASN ND2 N 15 111.92 0.15 . 1 . . . . 85 . . . 6161 1 563 . 1 1 49 49 PHE CA C 13 61.60 0.12 . 1 . . . . 86 . . . 6161 1 564 . 1 1 49 49 PHE CB C 13 39.85 0.12 . 1 . . . . 86 . . . 6161 1 565 . 1 1 49 49 PHE CD1 C 13 128.86 0.12 . 1 . . . . 86 . . . 6161 1 566 . 1 1 49 49 PHE CD2 C 13 128.86 0.12 . 1 . . . . 86 . . . 6161 1 567 . 1 1 49 49 PHE CE1 C 13 134.10 0.12 . 1 . . . . 86 . . . 6161 1 568 . 1 1 49 49 PHE CE2 C 13 134.10 0.12 . 1 . . . . 86 . . . 6161 1 569 . 1 1 49 49 PHE CZ C 13 129.37 0.12 . 1 . . . . 86 . . . 6161 1 570 . 1 1 49 49 PHE H H 1 7.59 0.03 . 1 . . . . 86 . . . 6161 1 571 . 1 1 49 49 PHE HA H 1 4.54 0.03 . 1 . . . . 86 . . . 6161 1 572 . 1 1 49 49 PHE HB2 H 1 2.92 0.03 . 2 . . . . 86 . . . 6161 1 573 . 1 1 49 49 PHE HB3 H 1 3.73 0.03 . 2 . . . . 86 . . . 6161 1 574 . 1 1 49 49 PHE HD1 H 1 6.95 0.03 . 1 . . . . 86 . . . 6161 1 575 . 1 1 49 49 PHE HD2 H 1 6.95 0.03 . 1 . . . . 86 . . . 6161 1 576 . 1 1 49 49 PHE HE1 H 1 7.61 0.03 . 1 . . . . 86 . . . 6161 1 577 . 1 1 49 49 PHE HE2 H 1 7.61 0.03 . 1 . . . . 86 . . . 6161 1 578 . 1 1 49 49 PHE HZ H 1 6.97 0.03 . 1 . . . . 86 . . . 6161 1 579 . 1 1 49 49 PHE N N 15 118.57 0.15 . 1 . . . . 86 . . . 6161 1 580 . 1 1 50 50 ASP CA C 13 58.60 0.12 . 1 . . . . 87 . . . 6161 1 581 . 1 1 50 50 ASP CB C 13 40.64 0.12 . 1 . . . . 87 . . . 6161 1 582 . 1 1 50 50 ASP H H 1 8.64 0.03 . 1 . . . . 87 . . . 6161 1 583 . 1 1 50 50 ASP HA H 1 3.92 0.03 . 1 . . . . 87 . . . 6161 1 584 . 1 1 50 50 ASP HB2 H 1 2.57 0.03 . 1 . . . . 87 . . . 6161 1 585 . 1 1 50 50 ASP HB3 H 1 2.57 0.03 . 1 . . . . 87 . . . 6161 1 586 . 1 1 50 50 ASP N N 15 116.02 0.15 . 1 . . . . 87 . . . 6161 1 587 . 1 1 51 51 LEU CA C 13 57.79 0.12 . 1 . . . . 88 . . . 6161 1 588 . 1 1 51 51 LEU CB C 13 41.87 0.12 . 1 . . . . 88 . . . 6161 1 589 . 1 1 51 51 LEU CD1 C 13 25.04 0.12 . 1 . . . . 88 . . . 6161 1 590 . 1 1 51 51 LEU CD2 C 13 25.04 0.12 . 1 . . . . 88 . . . 6161 1 591 . 1 1 51 51 LEU CG C 13 26.82 0.12 . 1 . . . . 88 . . . 6161 1 592 . 1 1 51 51 LEU H H 1 7.53 0.03 . 1 . . . . 88 . . . 6161 1 593 . 1 1 51 51 LEU HA H 1 4.05 0.03 . 1 . . . . 88 . . . 6161 1 594 . 1 1 51 51 LEU HB2 H 1 1.53 0.03 . 1 . . . . 88 . . . 6161 1 595 . 1 1 51 51 LEU HB3 H 1 1.53 0.03 . 1 . . . . 88 . . . 6161 1 596 . 1 1 51 51 LEU HD11 H 1 0.89 0.03 . 2 . . . . 88 . . . 6161 1 597 . 1 1 51 51 LEU HD12 H 1 0.89 0.03 . 2 . . . . 88 . . . 6161 1 598 . 1 1 51 51 LEU HD13 H 1 0.89 0.03 . 2 . . . . 88 . . . 6161 1 599 . 1 1 51 51 LEU HD21 H 1 0.78 0.03 . 2 . . . . 88 . . . 6161 1 600 . 1 1 51 51 LEU HD22 H 1 0.78 0.03 . 2 . . . . 88 . . . 6161 1 601 . 1 1 51 51 LEU HD23 H 1 0.78 0.03 . 2 . . . . 88 . . . 6161 1 602 . 1 1 51 51 LEU HG H 1 1.41 0.03 . 1 . . . . 88 . . . 6161 1 603 . 1 1 51 51 LEU N N 15 120.47 0.15 . 1 . . . . 88 . . . 6161 1 604 . 1 1 52 52 TYR CA C 13 58.82 0.12 . 1 . . . . 89 . . . 6161 1 605 . 1 1 52 52 TYR CB C 13 34.83 0.12 . 1 . . . . 89 . . . 6161 1 606 . 1 1 52 52 TYR CD1 C 13 131.46 0.12 . 1 . . . . 89 . . . 6161 1 607 . 1 1 52 52 TYR CD2 C 13 131.46 0.12 . 1 . . . . 89 . . . 6161 1 608 . 1 1 52 52 TYR CE1 C 13 118.07 0.12 . 1 . . . . 89 . . . 6161 1 609 . 1 1 52 52 TYR CE2 C 13 118.07 0.12 . 1 . . . . 89 . . . 6161 1 610 . 1 1 52 52 TYR H H 1 8.04 0.03 . 1 . . . . 89 . . . 6161 1 611 . 1 1 52 52 TYR HA H 1 4.05 0.03 . 1 . . . . 89 . . . 6161 1 612 . 1 1 52 52 TYR HB2 H 1 1.75 0.03 . 2 . . . . 89 . . . 6161 1 613 . 1 1 52 52 TYR HB3 H 1 2.40 0.03 . 2 . . . . 89 . . . 6161 1 614 . 1 1 52 52 TYR HD1 H 1 6.96 0.03 . 1 . . . . 89 . . . 6161 1 615 . 1 1 52 52 TYR HD2 H 1 6.96 0.03 . 1 . . . . 89 . . . 6161 1 616 . 1 1 52 52 TYR HE1 H 1 6.84 0.03 . 1 . . . . 89 . . . 6161 1 617 . 1 1 52 52 TYR HE2 H 1 6.84 0.03 . 1 . . . . 89 . . . 6161 1 618 . 1 1 52 52 TYR N N 15 118.36 0.15 . 1 . . . . 89 . . . 6161 1 619 . 1 1 53 53 PHE CA C 13 62.02 0.12 . 1 . . . . 90 . . . 6161 1 620 . 1 1 53 53 PHE CB C 13 39.24 0.12 . 1 . . . . 90 . . . 6161 1 621 . 1 1 53 53 PHE CD1 C 13 131.94 0.12 . 1 . . . . 90 . . . 6161 1 622 . 1 1 53 53 PHE CD2 C 13 131.94 0.12 . 1 . . . . 90 . . . 6161 1 623 . 1 1 53 53 PHE CE1 C 13 129.36 0.12 . 1 . . . . 90 . . . 6161 1 624 . 1 1 53 53 PHE CE2 C 13 129.36 0.12 . 1 . . . . 90 . . . 6161 1 625 . 1 1 53 53 PHE CZ C 13 130.59 0.12 . 1 . . . . 90 . . . 6161 1 626 . 1 1 53 53 PHE H H 1 8.98 0.03 . 1 . . . . 90 . . . 6161 1 627 . 1 1 53 53 PHE HA H 1 3.84 0.03 . 1 . . . . 90 . . . 6161 1 628 . 1 1 53 53 PHE HB2 H 1 2.34 0.03 . 2 . . . . 90 . . . 6161 1 629 . 1 1 53 53 PHE HB3 H 1 2.88 0.03 . 2 . . . . 90 . . . 6161 1 630 . 1 1 53 53 PHE HD1 H 1 7.08 0.03 . 1 . . . . 90 . . . 6161 1 631 . 1 1 53 53 PHE HD2 H 1 7.08 0.03 . 1 . . . . 90 . . . 6161 1 632 . 1 1 53 53 PHE HE1 H 1 7.25 0.03 . 1 . . . . 90 . . . 6161 1 633 . 1 1 53 53 PHE HE2 H 1 7.25 0.03 . 1 . . . . 90 . . . 6161 1 634 . 1 1 53 53 PHE HZ H 1 7.09 0.03 . 1 . . . . 90 . . . 6161 1 635 . 1 1 53 53 PHE N N 15 122.65 0.15 . 1 . . . . 90 . . . 6161 1 636 . 1 1 54 54 ASN CA C 13 56.35 0.12 . 1 . . . . 91 . . . 6161 1 637 . 1 1 54 54 ASN CB C 13 37.80 0.12 . 1 . . . . 91 . . . 6161 1 638 . 1 1 54 54 ASN H H 1 8.43 0.03 . 1 . . . . 91 . . . 6161 1 639 . 1 1 54 54 ASN HA H 1 4.20 0.03 . 1 . . . . 91 . . . 6161 1 640 . 1 1 54 54 ASN HB2 H 1 2.80 0.03 . 2 . . . . 91 . . . 6161 1 641 . 1 1 54 54 ASN HB3 H 1 2.95 0.03 . 2 . . . . 91 . . . 6161 1 642 . 1 1 54 54 ASN HD21 H 1 7.66 0.03 . 1 . . . . 91 . . . 6161 1 643 . 1 1 54 54 ASN HD22 H 1 7.19 0.03 . 1 . . . . 91 . . . 6161 1 644 . 1 1 54 54 ASN N N 15 117.73 0.15 . 1 . . . . 91 . . . 6161 1 645 . 1 1 54 54 ASN ND2 N 15 113.26 0.15 . 1 . . . . 91 . . . 6161 1 646 . 1 1 55 55 ASN CA C 13 55.44 0.12 . 1 . . . . 92 . . . 6161 1 647 . 1 1 55 55 ASN CB C 13 37.48 0.12 . 1 . . . . 92 . . . 6161 1 648 . 1 1 55 55 ASN H H 1 8.68 0.03 . 1 . . . . 92 . . . 6161 1 649 . 1 1 55 55 ASN HA H 1 4.43 0.03 . 1 . . . . 92 . . . 6161 1 650 . 1 1 55 55 ASN HB2 H 1 2.72 0.03 . 2 . . . . 92 . . . 6161 1 651 . 1 1 55 55 ASN HB3 H 1 2.84 0.03 . 2 . . . . 92 . . . 6161 1 652 . 1 1 55 55 ASN HD21 H 1 7.68 0.03 . 1 . . . . 92 . . . 6161 1 653 . 1 1 55 55 ASN HD22 H 1 6.86 0.03 . 1 . . . . 92 . . . 6161 1 654 . 1 1 55 55 ASN N N 15 119.08 0.15 . 1 . . . . 92 . . . 6161 1 655 . 1 1 55 55 ASN ND2 N 15 109.93 0.15 . 1 . . . . 92 . . . 6161 1 656 . 1 1 56 56 ALA CA C 13 54.69 0.12 . 1 . . . . 93 . . . 6161 1 657 . 1 1 56 56 ALA CB C 13 18.92 0.12 . 1 . . . . 93 . . . 6161 1 658 . 1 1 56 56 ALA H H 1 7.90 0.03 . 1 . . . . 93 . . . 6161 1 659 . 1 1 56 56 ALA HA H 1 4.21 0.03 . 1 . . . . 93 . . . 6161 1 660 . 1 1 56 56 ALA HB1 H 1 1.40 0.03 . 1 . . . . 93 . . . 6161 1 661 . 1 1 56 56 ALA HB2 H 1 1.40 0.03 . 1 . . . . 93 . . . 6161 1 662 . 1 1 56 56 ALA HB3 H 1 1.40 0.03 . 1 . . . . 93 . . . 6161 1 663 . 1 1 56 56 ALA N N 15 122.52 0.15 . 1 . . . . 93 . . . 6161 1 664 . 1 1 57 57 ILE CA C 13 64.08 0.12 . 1 . . . . 94 . . . 6161 1 665 . 1 1 57 57 ILE CB C 13 36.28 0.12 . 1 . . . . 94 . . . 6161 1 666 . 1 1 57 57 ILE CD1 C 13 11.61 0.12 . 1 . . . . 94 . . . 6161 1 667 . 1 1 57 57 ILE CG1 C 13 27.83 0.12 . 1 . . . . 94 . . . 6161 1 668 . 1 1 57 57 ILE CG2 C 13 16.90 0.12 . 1 . . . . 94 . . . 6161 1 669 . 1 1 57 57 ILE H H 1 7.79 0.03 . 1 . . . . 94 . . . 6161 1 670 . 1 1 57 57 ILE HA H 1 3.74 0.03 . 1 . . . . 94 . . . 6161 1 671 . 1 1 57 57 ILE HB H 1 1.89 0.03 . 1 . . . . 94 . . . 6161 1 672 . 1 1 57 57 ILE HD11 H 1 0.21 0.03 . 1 . . . . 94 . . . 6161 1 673 . 1 1 57 57 ILE HD12 H 1 0.21 0.03 . 1 . . . . 94 . . . 6161 1 674 . 1 1 57 57 ILE HD13 H 1 0.21 0.03 . 1 . . . . 94 . . . 6161 1 675 . 1 1 57 57 ILE HG12 H 1 0.60 0.03 . 2 . . . . 94 . . . 6161 1 676 . 1 1 57 57 ILE HG13 H 1 1.12 0.03 . 2 . . . . 94 . . . 6161 1 677 . 1 1 57 57 ILE HG21 H 1 0.68 0.03 . 1 . . . . 94 . . . 6161 1 678 . 1 1 57 57 ILE HG22 H 1 0.68 0.03 . 1 . . . . 94 . . . 6161 1 679 . 1 1 57 57 ILE HG23 H 1 0.68 0.03 . 1 . . . . 94 . . . 6161 1 680 . 1 1 57 57 ILE N N 15 119.92 0.15 . 1 . . . . 94 . . . 6161 1 681 . 1 1 58 58 LYS CA C 13 60.09 0.12 . 1 . . . . 95 . . . 6161 1 682 . 1 1 58 58 LYS CB C 13 32.69 0.12 . 1 . . . . 95 . . . 6161 1 683 . 1 1 58 58 LYS CD C 13 29.78 0.12 . 1 . . . . 95 . . . 6161 1 684 . 1 1 58 58 LYS CE C 13 41.96 0.12 . 1 . . . . 95 . . . 6161 1 685 . 1 1 58 58 LYS CG C 13 24.81 0.12 . 1 . . . . 95 . . . 6161 1 686 . 1 1 58 58 LYS H H 1 7.63 0.03 . 1 . . . . 95 . . . 6161 1 687 . 1 1 58 58 LYS HA H 1 3.97 0.03 . 1 . . . . 95 . . . 6161 1 688 . 1 1 58 58 LYS HB2 H 1 1.92 0.03 . 1 . . . . 95 . . . 6161 1 689 . 1 1 58 58 LYS HB3 H 1 1.92 0.03 . 1 . . . . 95 . . . 6161 1 690 . 1 1 58 58 LYS HD2 H 1 1.69 0.03 . 1 . . . . 95 . . . 6161 1 691 . 1 1 58 58 LYS HD3 H 1 1.69 0.03 . 1 . . . . 95 . . . 6161 1 692 . 1 1 58 58 LYS HE2 H 1 2.97 0.03 . 1 . . . . 95 . . . 6161 1 693 . 1 1 58 58 LYS HE3 H 1 2.97 0.03 . 1 . . . . 95 . . . 6161 1 694 . 1 1 58 58 LYS HG2 H 1 1.52 0.03 . 2 . . . . 95 . . . 6161 1 695 . 1 1 58 58 LYS HG3 H 1 1.39 0.03 . 2 . . . . 95 . . . 6161 1 696 . 1 1 58 58 LYS N N 15 118.79 0.15 . 1 . . . . 95 . . . 6161 1 697 . 1 1 59 59 LYS CA C 13 58.23 0.12 . 1 . . . . 96 . . . 6161 1 698 . 1 1 59 59 LYS CB C 13 31.88 0.12 . 1 . . . . 96 . . . 6161 1 699 . 1 1 59 59 LYS CD C 13 28.34 0.12 . 1 . . . . 96 . . . 6161 1 700 . 1 1 59 59 LYS CE C 13 41.80 0.12 . 1 . . . . 96 . . . 6161 1 701 . 1 1 59 59 LYS CG C 13 24.74 0.12 . 1 . . . . 96 . . . 6161 1 702 . 1 1 59 59 LYS H H 1 8.54 0.03 . 1 . . . . 96 . . . 6161 1 703 . 1 1 59 59 LYS HA H 1 4.09 0.03 . 1 . . . . 96 . . . 6161 1 704 . 1 1 59 59 LYS HB2 H 1 1.86 0.03 . 1 . . . . 96 . . . 6161 1 705 . 1 1 59 59 LYS HB3 H 1 1.86 0.03 . 1 . . . . 96 . . . 6161 1 706 . 1 1 59 59 LYS HD2 H 1 1.66 0.03 . 1 . . . . 96 . . . 6161 1 707 . 1 1 59 59 LYS HD3 H 1 1.66 0.03 . 1 . . . . 96 . . . 6161 1 708 . 1 1 59 59 LYS HE2 H 1 2.93 0.03 . 1 . . . . 96 . . . 6161 1 709 . 1 1 59 59 LYS HE3 H 1 2.93 0.03 . 1 . . . . 96 . . . 6161 1 710 . 1 1 59 59 LYS HG2 H 1 1.48 0.03 . 1 . . . . 96 . . . 6161 1 711 . 1 1 59 59 LYS HG3 H 1 1.48 0.03 . 1 . . . . 96 . . . 6161 1 712 . 1 1 59 59 LYS N N 15 117.82 0.15 . 1 . . . . 96 . . . 6161 1 713 . 1 1 60 60 GLY CA C 13 46.94 0.12 . 1 . . . . 97 . . . 6161 1 714 . 1 1 60 60 GLY H H 1 8.27 0.03 . 1 . . . . 97 . . . 6161 1 715 . 1 1 60 60 GLY HA2 H 1 3.64 0.03 . 2 . . . . 97 . . . 6161 1 716 . 1 1 60 60 GLY HA3 H 1 4.01 0.03 . 2 . . . . 97 . . . 6161 1 717 . 1 1 60 60 GLY N N 15 106.85 0.15 . 1 . . . . 97 . . . 6161 1 718 . 1 1 61 61 VAL CA C 13 65.39 0.12 . 1 . . . . 98 . . . 6161 1 719 . 1 1 61 61 VAL CB C 13 31.73 0.12 . 1 . . . . 98 . . . 6161 1 720 . 1 1 61 61 VAL CG1 C 13 20.97 0.12 . 2 . . . . 98 . . . 6161 1 721 . 1 1 61 61 VAL CG2 C 13 22.96 0.12 . 2 . . . . 98 . . . 6161 1 722 . 1 1 61 61 VAL H H 1 8.76 0.03 . 1 . . . . 98 . . . 6161 1 723 . 1 1 61 61 VAL HA H 1 4.32 0.03 . 1 . . . . 98 . . . 6161 1 724 . 1 1 61 61 VAL HB H 1 2.28 0.03 . 1 . . . . 98 . . . 6161 1 725 . 1 1 61 61 VAL HG11 H 1 1.02 0.03 . 2 . . . . 98 . . . 6161 1 726 . 1 1 61 61 VAL HG12 H 1 1.02 0.03 . 2 . . . . 98 . . . 6161 1 727 . 1 1 61 61 VAL HG13 H 1 1.02 0.03 . 2 . . . . 98 . . . 6161 1 728 . 1 1 61 61 VAL HG21 H 1 1.05 0.03 . 2 . . . . 98 . . . 6161 1 729 . 1 1 61 61 VAL HG22 H 1 1.05 0.03 . 2 . . . . 98 . . . 6161 1 730 . 1 1 61 61 VAL HG23 H 1 1.05 0.03 . 2 . . . . 98 . . . 6161 1 731 . 1 1 61 61 VAL N N 15 125.98 0.15 . 1 . . . . 98 . . . 6161 1 732 . 1 1 62 62 GLU CA C 13 59.32 0.12 . 1 . . . . 99 . . . 6161 1 733 . 1 1 62 62 GLU CB C 13 29.20 0.12 . 1 . . . . 99 . . . 6161 1 734 . 1 1 62 62 GLU CG C 13 36.26 0.12 . 1 . . . . 99 . . . 6161 1 735 . 1 1 62 62 GLU H H 1 7.92 0.03 . 1 . . . . 99 . . . 6161 1 736 . 1 1 62 62 GLU HA H 1 3.98 0.03 . 1 . . . . 99 . . . 6161 1 737 . 1 1 62 62 GLU HB2 H 1 2.08 0.03 . 2 . . . . 99 . . . 6161 1 738 . 1 1 62 62 GLU HB3 H 1 2.18 0.03 . 2 . . . . 99 . . . 6161 1 739 . 1 1 62 62 GLU HG2 H 1 2.25 0.03 . 2 . . . . 99 . . . 6161 1 740 . 1 1 62 62 GLU HG3 H 1 2.46 0.03 . 2 . . . . 99 . . . 6161 1 741 . 1 1 62 62 GLU N N 15 121.24 0.15 . 1 . . . . 99 . . . 6161 1 742 . 1 1 63 63 ALA CA C 13 52.53 0.12 . 1 . . . . 100 . . . 6161 1 743 . 1 1 63 63 ALA CB C 13 19.58 0.12 . 1 . . . . 100 . . . 6161 1 744 . 1 1 63 63 ALA H H 1 8.22 0.03 . 1 . . . . 100 . . . 6161 1 745 . 1 1 63 63 ALA HA H 1 4.25 0.03 . 1 . . . . 100 . . . 6161 1 746 . 1 1 63 63 ALA HB1 H 1 1.39 0.03 . 1 . . . . 100 . . . 6161 1 747 . 1 1 63 63 ALA HB2 H 1 1.39 0.03 . 1 . . . . 100 . . . 6161 1 748 . 1 1 63 63 ALA HB3 H 1 1.39 0.03 . 1 . . . . 100 . . . 6161 1 749 . 1 1 63 63 ALA N N 15 116.90 0.15 . 1 . . . . 100 . . . 6161 1 750 . 1 1 64 64 GLY CA C 13 44.90 0.12 . 1 . . . . 101 . . . 6161 1 751 . 1 1 64 64 GLY H H 1 7.54 0.03 . 1 . . . . 101 . . . 6161 1 752 . 1 1 64 64 GLY HA2 H 1 3.77 0.03 . 2 . . . . 101 . . . 6161 1 753 . 1 1 64 64 GLY HA3 H 1 4.16 0.03 . 2 . . . . 101 . . . 6161 1 754 . 1 1 64 64 GLY N N 15 104.61 0.15 . 1 . . . . 101 . . . 6161 1 755 . 1 1 65 65 ASP CA C 13 56.36 0.12 . 1 . . . . 102 . . . 6161 1 756 . 1 1 65 65 ASP CB C 13 41.34 0.12 . 1 . . . . 102 . . . 6161 1 757 . 1 1 65 65 ASP H H 1 8.16 0.03 . 1 . . . . 102 . . . 6161 1 758 . 1 1 65 65 ASP HA H 1 4.34 0.03 . 1 . . . . 102 . . . 6161 1 759 . 1 1 65 65 ASP HB2 H 1 1.66 0.03 . 2 . . . . 102 . . . 6161 1 760 . 1 1 65 65 ASP HB3 H 1 1.32 0.03 . 2 . . . . 102 . . . 6161 1 761 . 1 1 65 65 ASP N N 15 117.36 0.15 . 1 . . . . 102 . . . 6161 1 762 . 1 1 66 66 PHE CA C 13 51.86 0.12 . 1 . . . . 103 . . . 6161 1 763 . 1 1 66 66 PHE CB C 13 42.25 0.12 . 1 . . . . 103 . . . 6161 1 764 . 1 1 66 66 PHE CD1 C 13 130.72 0.12 . 1 . . . . 103 . . . 6161 1 765 . 1 1 66 66 PHE CD2 C 13 130.72 0.12 . 1 . . . . 103 . . . 6161 1 766 . 1 1 66 66 PHE CE1 C 13 130.46 0.12 . 1 . . . . 103 . . . 6161 1 767 . 1 1 66 66 PHE CE2 C 13 130.46 0.12 . 1 . . . . 103 . . . 6161 1 768 . 1 1 66 66 PHE CZ C 13 129.25 0.12 . 1 . . . . 103 . . . 6161 1 769 . 1 1 66 66 PHE H H 1 6.94 0.03 . 1 . . . . 103 . . . 6161 1 770 . 1 1 66 66 PHE HA H 1 5.72 0.03 . 1 . . . . 103 . . . 6161 1 771 . 1 1 66 66 PHE HB2 H 1 3.28 0.03 . 2 . . . . 103 . . . 6161 1 772 . 1 1 66 66 PHE HB3 H 1 2.49 0.03 . 2 . . . . 103 . . . 6161 1 773 . 1 1 66 66 PHE HD1 H 1 7.17 0.03 . 1 . . . . 103 . . . 6161 1 774 . 1 1 66 66 PHE HD2 H 1 7.17 0.03 . 1 . . . . 103 . . . 6161 1 775 . 1 1 66 66 PHE HE1 H 1 6.97 0.03 . 1 . . . . 103 . . . 6161 1 776 . 1 1 66 66 PHE HE2 H 1 6.97 0.03 . 1 . . . . 103 . . . 6161 1 777 . 1 1 66 66 PHE HZ H 1 7.20 0.03 . 1 . . . . 103 . . . 6161 1 778 . 1 1 66 66 PHE N N 15 114.87 0.15 . 1 . . . . 103 . . . 6161 1 779 . 1 1 67 67 GLU CA C 13 54.74 0.12 . 1 . . . . 104 . . . 6161 1 780 . 1 1 67 67 GLU CB C 13 33.58 0.12 . 1 . . . . 104 . . . 6161 1 781 . 1 1 67 67 GLU CG C 13 36.18 0.12 . 1 . . . . 104 . . . 6161 1 782 . 1 1 67 67 GLU H H 1 9.22 0.03 . 1 . . . . 104 . . . 6161 1 783 . 1 1 67 67 GLU HA H 1 4.60 0.03 . 1 . . . . 104 . . . 6161 1 784 . 1 1 67 67 GLU HB2 H 1 1.76 0.03 . 2 . . . . 104 . . . 6161 1 785 . 1 1 67 67 GLU HB3 H 1 1.96 0.03 . 2 . . . . 104 . . . 6161 1 786 . 1 1 67 67 GLU HG2 H 1 2.04 0.03 . 2 . . . . 104 . . . 6161 1 787 . 1 1 67 67 GLU HG3 H 1 2.13 0.03 . 2 . . . . 104 . . . 6161 1 788 . 1 1 67 67 GLU N N 15 118.77 0.15 . 1 . . . . 104 . . . 6161 1 789 . 1 1 68 68 GLN CA C 13 53.01 0.12 . 1 . . . . 105 . . . 6161 1 790 . 1 1 68 68 GLN CB C 13 30.35 0.12 . 1 . . . . 105 . . . 6161 1 791 . 1 1 68 68 GLN CG C 13 34.64 0.12 . 1 . . . . 105 . . . 6161 1 792 . 1 1 68 68 GLN H H 1 9.10 0.03 . 1 . . . . 105 . . . 6161 1 793 . 1 1 68 68 GLN HA H 1 5.13 0.03 . 1 . . . . 105 . . . 6161 1 794 . 1 1 68 68 GLN HB2 H 1 1.93 0.03 . 2 . . . . 105 . . . 6161 1 795 . 1 1 68 68 GLN HB3 H 1 1.81 0.03 . 2 . . . . 105 . . . 6161 1 796 . 1 1 68 68 GLN HE21 H 1 7.12 0.03 . 1 . . . . 105 . . . 6161 1 797 . 1 1 68 68 GLN HE22 H 1 6.69 0.03 . 1 . . . . 105 . . . 6161 1 798 . 1 1 68 68 GLN HG2 H 1 2.05 0.03 . 2 . . . . 105 . . . 6161 1 799 . 1 1 68 68 GLN HG3 H 1 2.26 0.03 . 2 . . . . 105 . . . 6161 1 800 . 1 1 68 68 GLN N N 15 120.85 0.15 . 1 . . . . 105 . . . 6161 1 801 . 1 1 68 68 GLN NE2 N 15 111.00 0.15 . 1 . . . . 105 . . . 6161 1 802 . 1 1 69 69 PRO CA C 13 64.28 0.12 . 1 . . . . 106 . . . 6161 1 803 . 1 1 69 69 PRO CB C 13 32.45 0.12 . 1 . . . . 106 . . . 6161 1 804 . 1 1 69 69 PRO CD C 13 50.23 0.12 . 1 . . . . 106 . . . 6161 1 805 . 1 1 69 69 PRO CG C 13 27.22 0.12 . 1 . . . . 106 . . . 6161 1 806 . 1 1 69 69 PRO HA H 1 4.38 0.03 . 1 . . . . 106 . . . 6161 1 807 . 1 1 69 69 PRO HB2 H 1 1.96 0.03 . 2 . . . . 106 . . . 6161 1 808 . 1 1 69 69 PRO HB3 H 1 2.39 0.03 . 2 . . . . 106 . . . 6161 1 809 . 1 1 69 69 PRO HD2 H 1 3.81 0.03 . 2 . . . . 106 . . . 6161 1 810 . 1 1 69 69 PRO HD3 H 1 3.46 0.03 . 2 . . . . 106 . . . 6161 1 811 . 1 1 69 69 PRO HG2 H 1 1.90 0.03 . 1 . . . . 106 . . . 6161 1 812 . 1 1 69 69 PRO HG3 H 1 1.90 0.03 . 1 . . . . 106 . . . 6161 1 813 . 1 1 70 70 LYS CA C 13 54.39 0.12 . 1 . . . . 107 . . . 6161 1 814 . 1 1 70 70 LYS CB C 13 31.92 0.12 . 1 . . . . 107 . . . 6161 1 815 . 1 1 70 70 LYS CD C 13 28.67 0.12 . 1 . . . . 107 . . . 6161 1 816 . 1 1 70 70 LYS CE C 13 42.05 0.12 . 1 . . . . 107 . . . 6161 1 817 . 1 1 70 70 LYS CG C 13 24.90 0.12 . 1 . . . . 107 . . . 6161 1 818 . 1 1 70 70 LYS H H 1 9.11 0.03 . 1 . . . . 107 . . . 6161 1 819 . 1 1 70 70 LYS HA H 1 4.59 0.03 . 1 . . . . 107 . . . 6161 1 820 . 1 1 70 70 LYS HB2 H 1 1.72 0.03 . 1 . . . . 107 . . . 6161 1 821 . 1 1 70 70 LYS HB3 H 1 1.72 0.03 . 1 . . . . 107 . . . 6161 1 822 . 1 1 70 70 LYS HD2 H 1 1.70 0.03 . 1 . . . . 107 . . . 6161 1 823 . 1 1 70 70 LYS HD3 H 1 1.70 0.03 . 1 . . . . 107 . . . 6161 1 824 . 1 1 70 70 LYS HE2 H 1 2.97 0.03 . 1 . . . . 107 . . . 6161 1 825 . 1 1 70 70 LYS HE3 H 1 2.97 0.03 . 1 . . . . 107 . . . 6161 1 826 . 1 1 70 70 LYS HG2 H 1 1.48 0.03 . 2 . . . . 107 . . . 6161 1 827 . 1 1 70 70 LYS HG3 H 1 1.33 0.03 . 2 . . . . 107 . . . 6161 1 828 . 1 1 70 70 LYS N N 15 117.96 0.15 . 1 . . . . 107 . . . 6161 1 829 . 1 1 71 71 GLY CA C 13 44.87 0.12 . 1 . . . . 108 . . . 6161 1 830 . 1 1 71 71 GLY H H 1 7.61 0.03 . 1 . . . . 108 . . . 6161 1 831 . 1 1 71 71 GLY HA2 H 1 3.93 0.03 . 2 . . . . 108 . . . 6161 1 832 . 1 1 71 71 GLY HA3 H 1 4.48 0.03 . 2 . . . . 108 . . . 6161 1 833 . 1 1 71 71 GLY N N 15 107.53 0.15 . 1 . . . . 108 . . . 6161 1 834 . 1 1 72 72 PRO CA C 13 64.61 0.12 . 1 . . . . 109 . . . 6161 1 835 . 1 1 72 72 PRO CB C 13 31.79 0.12 . 1 . . . . 109 . . . 6161 1 836 . 1 1 72 72 PRO CD C 13 49.69 0.12 . 1 . . . . 109 . . . 6161 1 837 . 1 1 72 72 PRO CG C 13 27.03 0.12 . 1 . . . . 109 . . . 6161 1 838 . 1 1 72 72 PRO HA H 1 4.33 0.03 . 1 . . . . 109 . . . 6161 1 839 . 1 1 72 72 PRO HB2 H 1 1.96 0.03 . 2 . . . . 109 . . . 6161 1 840 . 1 1 72 72 PRO HB3 H 1 2.32 0.03 . 2 . . . . 109 . . . 6161 1 841 . 1 1 72 72 PRO HD2 H 1 3.72 0.03 . 2 . . . . 109 . . . 6161 1 842 . 1 1 72 72 PRO HD3 H 1 3.59 0.03 . 2 . . . . 109 . . . 6161 1 843 . 1 1 72 72 PRO HG2 H 1 2.02 0.03 . 1 . . . . 109 . . . 6161 1 844 . 1 1 72 72 PRO HG3 H 1 2.02 0.03 . 1 . . . . 109 . . . 6161 1 845 . 1 1 73 73 ALA CA C 13 51.74 0.12 . 1 . . . . 110 . . . 6161 1 846 . 1 1 73 73 ALA CB C 13 18.62 0.12 . 1 . . . . 110 . . . 6161 1 847 . 1 1 73 73 ALA H H 1 8.48 0.03 . 1 . . . . 110 . . . 6161 1 848 . 1 1 73 73 ALA HA H 1 4.49 0.03 . 1 . . . . 110 . . . 6161 1 849 . 1 1 73 73 ALA HB1 H 1 1.38 0.03 . 1 . . . . 110 . . . 6161 1 850 . 1 1 73 73 ALA HB2 H 1 1.38 0.03 . 1 . . . . 110 . . . 6161 1 851 . 1 1 73 73 ALA HB3 H 1 1.38 0.03 . 1 . . . . 110 . . . 6161 1 852 . 1 1 73 73 ALA N N 15 119.39 0.15 . 1 . . . . 110 . . . 6161 1 853 . 1 1 74 74 GLY CA C 13 44.57 0.12 . 1 . . . . 111 . . . 6161 1 854 . 1 1 74 74 GLY H H 1 7.71 0.03 . 1 . . . . 111 . . . 6161 1 855 . 1 1 74 74 GLY HA2 H 1 3.62 0.03 . 2 . . . . 111 . . . 6161 1 856 . 1 1 74 74 GLY HA3 H 1 4.27 0.03 . 2 . . . . 111 . . . 6161 1 857 . 1 1 74 74 GLY N N 15 106.82 0.15 . 1 . . . . 111 . . . 6161 1 858 . 1 1 75 75 ALA CA C 13 52.07 0.12 . 1 . . . . 112 . . . 6161 1 859 . 1 1 75 75 ALA CB C 13 19.07 0.12 . 1 . . . . 112 . . . 6161 1 860 . 1 1 75 75 ALA H H 1 8.26 0.03 . 1 . . . . 112 . . . 6161 1 861 . 1 1 75 75 ALA HA H 1 4.13 0.03 . 1 . . . . 112 . . . 6161 1 862 . 1 1 75 75 ALA HB1 H 1 1.09 0.03 . 1 . . . . 112 . . . 6161 1 863 . 1 1 75 75 ALA HB2 H 1 1.09 0.03 . 1 . . . . 112 . . . 6161 1 864 . 1 1 75 75 ALA HB3 H 1 1.09 0.03 . 1 . . . . 112 . . . 6161 1 865 . 1 1 75 75 ALA N N 15 121.71 0.15 . 1 . . . . 112 . . . 6161 1 866 . 1 1 76 76 VAL CA C 13 60.77 0.12 . 1 . . . . 113 . . . 6161 1 867 . 1 1 76 76 VAL CB C 13 33.78 0.12 . 1 . . . . 113 . . . 6161 1 868 . 1 1 76 76 VAL CG1 C 13 21.51 0.12 . 1 . . . . 113 . . . 6161 1 869 . 1 1 76 76 VAL CG2 C 13 21.51 0.12 . 1 . . . . 113 . . . 6161 1 870 . 1 1 76 76 VAL H H 1 8.71 0.03 . 1 . . . . 113 . . . 6161 1 871 . 1 1 76 76 VAL HA H 1 4.50 0.03 . 1 . . . . 113 . . . 6161 1 872 . 1 1 76 76 VAL HB H 1 1.76 0.03 . 1 . . . . 113 . . . 6161 1 873 . 1 1 76 76 VAL HG11 H 1 0.76 0.03 . 1 . . . . 113 . . . 6161 1 874 . 1 1 76 76 VAL HG12 H 1 0.76 0.03 . 1 . . . . 113 . . . 6161 1 875 . 1 1 76 76 VAL HG13 H 1 0.76 0.03 . 1 . . . . 113 . . . 6161 1 876 . 1 1 76 76 VAL HG21 H 1 0.48 0.03 . 1 . . . . 113 . . . 6161 1 877 . 1 1 76 76 VAL HG22 H 1 0.48 0.03 . 1 . . . . 113 . . . 6161 1 878 . 1 1 76 76 VAL HG23 H 1 0.48 0.03 . 1 . . . . 113 . . . 6161 1 879 . 1 1 76 76 VAL N N 15 119.04 0.15 . 1 . . . . 113 . . . 6161 1 880 . 1 1 77 77 LYS CA C 13 53.76 0.12 . 1 . . . . 114 . . . 6161 1 881 . 1 1 77 77 LYS CB C 13 36.83 0.12 . 1 . . . . 114 . . . 6161 1 882 . 1 1 77 77 LYS CD C 13 29.47 0.12 . 1 . . . . 114 . . . 6161 1 883 . 1 1 77 77 LYS CE C 13 41.54 0.12 . 1 . . . . 114 . . . 6161 1 884 . 1 1 77 77 LYS CG C 13 24.58 0.12 . 1 . . . . 114 . . . 6161 1 885 . 1 1 77 77 LYS H H 1 8.76 0.03 . 1 . . . . 114 . . . 6161 1 886 . 1 1 77 77 LYS HA H 1 4.90 0.03 . 1 . . . . 114 . . . 6161 1 887 . 1 1 77 77 LYS HB2 H 1 1.54 0.03 . 2 . . . . 114 . . . 6161 1 888 . 1 1 77 77 LYS HB3 H 1 1.68 0.03 . 2 . . . . 114 . . . 6161 1 889 . 1 1 77 77 LYS HD2 H 1 1.52 0.03 . 1 . . . . 114 . . . 6161 1 890 . 1 1 77 77 LYS HD3 H 1 1.52 0.03 . 1 . . . . 114 . . . 6161 1 891 . 1 1 77 77 LYS HE2 H 1 2.91 0.03 . 1 . . . . 114 . . . 6161 1 892 . 1 1 77 77 LYS HE3 H 1 2.91 0.03 . 1 . . . . 114 . . . 6161 1 893 . 1 1 77 77 LYS HG2 H 1 1.26 0.03 . 1 . . . . 114 . . . 6161 1 894 . 1 1 77 77 LYS HG3 H 1 1.26 0.03 . 1 . . . . 114 . . . 6161 1 895 . 1 1 77 77 LYS N N 15 122.17 0.15 . 1 . . . . 114 . . . 6161 1 896 . 1 1 78 78 LEU CA C 13 55.47 0.12 . 1 . . . . 115 . . . 6161 1 897 . 1 1 78 78 LEU CB C 13 41.91 0.12 . 1 . . . . 115 . . . 6161 1 898 . 1 1 78 78 LEU CD1 C 13 24.94 0.12 . 1 . . . . 115 . . . 6161 1 899 . 1 1 78 78 LEU CD2 C 13 24.94 0.12 . 1 . . . . 115 . . . 6161 1 900 . 1 1 78 78 LEU CG C 13 26.83 0.12 . 1 . . . . 115 . . . 6161 1 901 . 1 1 78 78 LEU H H 1 9.07 0.03 . 1 . . . . 115 . . . 6161 1 902 . 1 1 78 78 LEU HA H 1 4.54 0.03 . 1 . . . . 115 . . . 6161 1 903 . 1 1 78 78 LEU HB2 H 1 1.66 0.03 . 2 . . . . 115 . . . 6161 1 904 . 1 1 78 78 LEU HB3 H 1 1.65 0.03 . 2 . . . . 115 . . . 6161 1 905 . 1 1 78 78 LEU HD11 H 1 1.05 0.03 . 1 . . . . 115 . . . 6161 1 906 . 1 1 78 78 LEU HD12 H 1 1.05 0.03 . 1 . . . . 115 . . . 6161 1 907 . 1 1 78 78 LEU HD13 H 1 1.05 0.03 . 1 . . . . 115 . . . 6161 1 908 . 1 1 78 78 LEU HD21 H 1 1.05 0.03 . 1 . . . . 115 . . . 6161 1 909 . 1 1 78 78 LEU HD22 H 1 1.05 0.03 . 1 . . . . 115 . . . 6161 1 910 . 1 1 78 78 LEU HD23 H 1 1.05 0.03 . 1 . . . . 115 . . . 6161 1 911 . 1 1 78 78 LEU HG H 1 1.80 0.03 . 1 . . . . 115 . . . 6161 1 912 . 1 1 78 78 LEU N N 15 123.49 0.15 . 1 . . . . 115 . . . 6161 1 913 . 1 1 79 79 ALA CA C 13 52.06 0.12 . 1 . . . . 116 . . . 6161 1 914 . 1 1 79 79 ALA CB C 13 19.43 0.12 . 1 . . . . 116 . . . 6161 1 915 . 1 1 79 79 ALA H H 1 7.98 0.03 . 1 . . . . 116 . . . 6161 1 916 . 1 1 79 79 ALA HA H 1 4.21 0.03 . 1 . . . . 116 . . . 6161 1 917 . 1 1 79 79 ALA HB1 H 1 1.16 0.03 . 1 . . . . 116 . . . 6161 1 918 . 1 1 79 79 ALA HB2 H 1 1.16 0.03 . 1 . . . . 116 . . . 6161 1 919 . 1 1 79 79 ALA HB3 H 1 1.16 0.03 . 1 . . . . 116 . . . 6161 1 920 . 1 1 79 79 ALA N N 15 126.70 0.15 . 1 . . . . 116 . . . 6161 1 921 . 1 1 80 80 LYS CA C 13 56.03 0.12 . 1 . . . . 117 . . . 6161 1 922 . 1 1 80 80 LYS CB C 13 32.89 0.12 . 1 . . . . 117 . . . 6161 1 923 . 1 1 80 80 LYS CG C 13 24.68 0.12 . 1 . . . . 117 . . . 6161 1 924 . 1 1 80 80 LYS H H 1 8.48 0.03 . 1 . . . . 117 . . . 6161 1 925 . 1 1 80 80 LYS HA H 1 4.23 0.03 . 1 . . . . 117 . . . 6161 1 926 . 1 1 80 80 LYS HB2 H 1 1.73 0.03 . 1 . . . . 117 . . . 6161 1 927 . 1 1 80 80 LYS HB3 H 1 1.73 0.03 . 1 . . . . 117 . . . 6161 1 928 . 1 1 80 80 LYS HG2 H 1 1.40 0.03 . 1 . . . . 117 . . . 6161 1 929 . 1 1 80 80 LYS HG3 H 1 1.40 0.03 . 1 . . . . 117 . . . 6161 1 930 . 1 1 80 80 LYS N N 15 121.62 0.15 . 1 . . . . 117 . . . 6161 1 931 . 1 1 81 81 LYS CA C 13 55.98 0.12 . 1 . . . . 118 . . . 6161 1 932 . 1 1 81 81 LYS CB C 13 32.96 0.12 . 1 . . . . 118 . . . 6161 1 933 . 1 1 81 81 LYS CD C 13 28.99 0.12 . 1 . . . . 118 . . . 6161 1 934 . 1 1 81 81 LYS CE C 13 42.01 0.12 . 1 . . . . 118 . . . 6161 1 935 . 1 1 81 81 LYS CG C 13 24.61 0.12 . 1 . . . . 118 . . . 6161 1 936 . 1 1 81 81 LYS H H 1 8.48 0.03 . 1 . . . . 118 . . . 6161 1 937 . 1 1 81 81 LYS HB2 H 1 1.72 0.03 . 1 . . . . 118 . . . 6161 1 938 . 1 1 81 81 LYS HB3 H 1 1.72 0.03 . 1 . . . . 118 . . . 6161 1 939 . 1 1 81 81 LYS HE2 H 1 2.97 0.03 . 1 . . . . 118 . . . 6161 1 940 . 1 1 81 81 LYS HE3 H 1 2.97 0.03 . 1 . . . . 118 . . . 6161 1 941 . 1 1 81 81 LYS HG2 H 1 1.39 0.03 . 1 . . . . 118 . . . 6161 1 942 . 1 1 81 81 LYS HG3 H 1 1.39 0.03 . 1 . . . . 118 . . . 6161 1 943 . 1 1 81 81 LYS N N 15 123.74 0.15 . 1 . . . . 118 . . . 6161 1 944 . 1 1 82 82 LYS CA C 13 55.90 0.12 . 1 . . . . 119 . . . 6161 1 945 . 1 1 82 82 LYS CB C 13 33.02 0.12 . 1 . . . . 119 . . . 6161 1 946 . 1 1 82 82 LYS CD C 13 28.98 0.12 . 1 . . . . 119 . . . 6161 1 947 . 1 1 82 82 LYS CE C 13 41.99 0.12 . 1 . . . . 119 . . . 6161 1 948 . 1 1 82 82 LYS CG C 13 24.60 0.12 . 1 . . . . 119 . . . 6161 1 949 . 1 1 82 82 LYS H H 1 8.51 0.03 . 1 . . . . 119 . . . 6161 1 950 . 1 1 82 82 LYS HA H 1 4.28 0.03 . 1 . . . . 119 . . . 6161 1 951 . 1 1 82 82 LYS HB2 H 1 1.77 0.03 . 1 . . . . 119 . . . 6161 1 952 . 1 1 82 82 LYS HB3 H 1 1.77 0.03 . 1 . . . . 119 . . . 6161 1 953 . 1 1 82 82 LYS HD2 H 1 1.68 0.03 . 1 . . . . 119 . . . 6161 1 954 . 1 1 82 82 LYS HD3 H 1 1.68 0.03 . 1 . . . . 119 . . . 6161 1 955 . 1 1 82 82 LYS HE2 H 1 2.97 0.03 . 1 . . . . 119 . . . 6161 1 956 . 1 1 82 82 LYS HE3 H 1 2.97 0.03 . 1 . . . . 119 . . . 6161 1 957 . 1 1 82 82 LYS HG2 H 1 1.42 0.03 . 1 . . . . 119 . . . 6161 1 958 . 1 1 82 82 LYS HG3 H 1 1.42 0.03 . 1 . . . . 119 . . . 6161 1 959 . 1 1 82 82 LYS N N 15 123.23 0.15 . 1 . . . . 119 . . . 6161 1 960 . 1 1 83 83 SER CA C 13 56.42 0.12 . 1 . . . . 120 . . . 6161 1 961 . 1 1 83 83 SER CB C 13 63.00 0.12 . 1 . . . . 120 . . . 6161 1 962 . 1 1 83 83 SER H H 1 8.52 0.03 . 1 . . . . 120 . . . 6161 1 963 . 1 1 83 83 SER HA H 1 4.71 0.03 . 1 . . . . 120 . . . 6161 1 964 . 1 1 83 83 SER HB2 H 1 3.83 0.03 . 1 . . . . 120 . . . 6161 1 965 . 1 1 83 83 SER HB3 H 1 3.83 0.03 . 1 . . . . 120 . . . 6161 1 966 . 1 1 83 83 SER N N 15 119.14 0.15 . 1 . . . . 120 . . . 6161 1 967 . 1 1 84 84 PRO CA C 13 63.12 0.12 . 1 . . . . 121 . . . 6161 1 968 . 1 1 84 84 PRO CB C 13 31.96 0.12 . 1 . . . . 121 . . . 6161 1 969 . 1 1 84 84 PRO CD C 13 50.64 0.12 . 1 . . . . 121 . . . 6161 1 970 . 1 1 84 84 PRO CG C 13 27.23 0.12 . 1 . . . . 121 . . . 6161 1 971 . 1 1 84 84 PRO HA H 1 4.41 0.03 . 1 . . . . 121 . . . 6161 1 972 . 1 1 84 84 PRO HB2 H 1 1.94 0.03 . 2 . . . . 121 . . . 6161 1 973 . 1 1 84 84 PRO HB3 H 1 2.28 0.03 . 2 . . . . 121 . . . 6161 1 974 . 1 1 84 84 PRO HD2 H 1 3.77 0.03 . 1 . . . . 121 . . . 6161 1 975 . 1 1 84 84 PRO HD3 H 1 3.77 0.03 . 1 . . . . 121 . . . 6161 1 976 . 1 1 84 84 PRO HG2 H 1 2.00 0.03 . 1 . . . . 121 . . . 6161 1 977 . 1 1 84 84 PRO HG3 H 1 2.00 0.03 . 1 . . . . 121 . . . 6161 1 978 . 1 1 85 85 GLU CA C 13 56.16 0.12 . 1 . . . . 122 . . . 6161 1 979 . 1 1 85 85 GLU CB C 13 30.22 0.12 . 1 . . . . 122 . . . 6161 1 980 . 1 1 85 85 GLU CG C 13 36.11 0.12 . 1 . . . . 122 . . . 6161 1 981 . 1 1 85 85 GLU H H 1 8.53 0.03 . 1 . . . . 122 . . . 6161 1 982 . 1 1 85 85 GLU HA H 1 4.23 0.03 . 1 . . . . 122 . . . 6161 1 983 . 1 1 85 85 GLU HB2 H 1 1.92 0.03 . 1 . . . . 122 . . . 6161 1 984 . 1 1 85 85 GLU HB3 H 1 1.92 0.03 . 1 . . . . 122 . . . 6161 1 985 . 1 1 85 85 GLU HG2 H 1 2.24 0.03 . 1 . . . . 122 . . . 6161 1 986 . 1 1 85 85 GLU HG3 H 1 2.24 0.03 . 1 . . . . 122 . . . 6161 1 987 . 1 1 85 85 GLU N N 15 121.25 0.15 . 1 . . . . 122 . . . 6161 1 988 . 1 1 86 86 VAL CA C 13 62.12 0.12 . 1 . . . . 123 . . . 6161 1 989 . 1 1 86 86 VAL CB C 13 32.60 0.12 . 1 . . . . 123 . . . 6161 1 990 . 1 1 86 86 VAL CG1 C 13 20.79 0.12 . 1 . . . . 123 . . . 6161 1 991 . 1 1 86 86 VAL CG2 C 13 20.79 0.12 . 1 . . . . 123 . . . 6161 1 992 . 1 1 86 86 VAL H H 1 8.31 0.03 . 1 . . . . 123 . . . 6161 1 993 . 1 1 86 86 VAL HA H 1 4.05 0.03 . 1 . . . . 123 . . . 6161 1 994 . 1 1 86 86 VAL HB H 1 2.00 0.03 . 1 . . . . 123 . . . 6161 1 995 . 1 1 86 86 VAL HG11 H 1 0.91 0.03 . 1 . . . . 123 . . . 6161 1 996 . 1 1 86 86 VAL HG12 H 1 0.91 0.03 . 1 . . . . 123 . . . 6161 1 997 . 1 1 86 86 VAL HG13 H 1 0.91 0.03 . 1 . . . . 123 . . . 6161 1 998 . 1 1 86 86 VAL HG21 H 1 0.91 0.03 . 1 . . . . 123 . . . 6161 1 999 . 1 1 86 86 VAL HG22 H 1 0.91 0.03 . 1 . . . . 123 . . . 6161 1 1000 . 1 1 86 86 VAL HG23 H 1 0.91 0.03 . 1 . . . . 123 . . . 6161 1 1001 . 1 1 86 86 VAL N N 15 122.63 0.15 . 1 . . . . 123 . . . 6161 1 1002 . 1 1 87 87 LYS CA C 13 56.01 0.12 . 1 . . . . 124 . . . 6161 1 1003 . 1 1 87 87 LYS CB C 13 32.96 0.12 . 1 . . . . 124 . . . 6161 1 1004 . 1 1 87 87 LYS CD C 13 29.03 0.12 . 1 . . . . 124 . . . 6161 1 1005 . 1 1 87 87 LYS CE C 13 41.97 0.12 . 1 . . . . 124 . . . 6161 1 1006 . 1 1 87 87 LYS CG C 13 24.65 0.12 . 1 . . . . 124 . . . 6161 1 1007 . 1 1 87 87 LYS H H 1 8.51 0.03 . 1 . . . . 124 . . . 6161 1 1008 . 1 1 87 87 LYS HA H 1 4.30 0.03 . 1 . . . . 124 . . . 6161 1 1009 . 1 1 87 87 LYS HB2 H 1 1.74 0.03 . 1 . . . . 124 . . . 6161 1 1010 . 1 1 87 87 LYS HB3 H 1 1.74 0.03 . 1 . . . . 124 . . . 6161 1 1011 . 1 1 87 87 LYS HD2 H 1 1.68 0.03 . 1 . . . . 124 . . . 6161 1 1012 . 1 1 87 87 LYS HD3 H 1 1.68 0.03 . 1 . . . . 124 . . . 6161 1 1013 . 1 1 87 87 LYS HE2 H 1 2.97 0.03 . 1 . . . . 124 . . . 6161 1 1014 . 1 1 87 87 LYS HE3 H 1 2.97 0.03 . 1 . . . . 124 . . . 6161 1 1015 . 1 1 87 87 LYS HG2 H 1 1.39 0.03 . 1 . . . . 124 . . . 6161 1 1016 . 1 1 87 87 LYS HG3 H 1 1.39 0.03 . 1 . . . . 124 . . . 6161 1 1017 . 1 1 87 87 LYS N N 15 126.11 0.15 . 1 . . . . 124 . . . 6161 1 1018 . 1 1 88 88 LYS CA C 13 56.27 0.12 . 1 . . . . 125 . . . 6161 1 1019 . 1 1 88 88 LYS CB C 13 32.96 0.12 . 1 . . . . 125 . . . 6161 1 1020 . 1 1 88 88 LYS CD C 13 29.00 0.12 . 1 . . . . 125 . . . 6161 1 1021 . 1 1 88 88 LYS CE C 13 42.02 0.12 . 1 . . . . 125 . . . 6161 1 1022 . 1 1 88 88 LYS CG C 13 24.62 0.12 . 1 . . . . 125 . . . 6161 1 1023 . 1 1 88 88 LYS H H 1 8.50 0.03 . 1 . . . . 125 . . . 6161 1 1024 . 1 1 88 88 LYS HA H 1 4.29 0.03 . 1 . . . . 125 . . . 6161 1 1025 . 1 1 88 88 LYS HB2 H 1 1.75 0.03 . 1 . . . . 125 . . . 6161 1 1026 . 1 1 88 88 LYS HB3 H 1 1.75 0.03 . 1 . . . . 125 . . . 6161 1 1027 . 1 1 88 88 LYS HD2 H 1 1.68 0.03 . 1 . . . . 125 . . . 6161 1 1028 . 1 1 88 88 LYS HD3 H 1 1.68 0.03 . 1 . . . . 125 . . . 6161 1 1029 . 1 1 88 88 LYS HE2 H 1 2.99 0.03 . 1 . . . . 125 . . . 6161 1 1030 . 1 1 88 88 LYS HE3 H 1 2.99 0.03 . 1 . . . . 125 . . . 6161 1 1031 . 1 1 88 88 LYS HG2 H 1 1.42 0.03 . 1 . . . . 125 . . . 6161 1 1032 . 1 1 88 88 LYS HG3 H 1 1.42 0.03 . 1 . . . . 125 . . . 6161 1 1033 . 1 1 88 88 LYS N N 15 123.62 0.15 . 1 . . . . 125 . . . 6161 1 1034 . 1 1 89 89 GLU CA C 13 56.40 0.12 . 1 . . . . 126 . . . 6161 1 1035 . 1 1 89 89 GLU CB C 13 30.19 0.12 . 1 . . . . 126 . . . 6161 1 1036 . 1 1 89 89 GLU CG C 13 36.07 0.12 . 1 . . . . 126 . . . 6161 1 1037 . 1 1 89 89 GLU H H 1 8.66 0.03 . 1 . . . . 126 . . . 6161 1 1038 . 1 1 89 89 GLU HA H 1 4.26 0.03 . 1 . . . . 126 . . . 6161 1 1039 . 1 1 89 89 GLU HB2 H 1 1.92 0.03 . 2 . . . . 126 . . . 6161 1 1040 . 1 1 89 89 GLU HB3 H 1 2.02 0.03 . 2 . . . . 126 . . . 6161 1 1041 . 1 1 89 89 GLU HG2 H 1 2.24 0.03 . 1 . . . . 126 . . . 6161 1 1042 . 1 1 89 89 GLU HG3 H 1 2.24 0.03 . 1 . . . . 126 . . . 6161 1 1043 . 1 1 89 89 GLU N N 15 122.63 0.15 . 1 . . . . 126 . . . 6161 1 1044 . 1 1 90 90 LYS CA C 13 56.16 0.12 . 1 . . . . 127 . . . 6161 1 1045 . 1 1 90 90 LYS CB C 13 33.04 0.12 . 1 . . . . 127 . . . 6161 1 1046 . 1 1 90 90 LYS CD C 13 29.05 0.12 . 1 . . . . 127 . . . 6161 1 1047 . 1 1 90 90 LYS CE C 13 42.00 0.12 . 1 . . . . 127 . . . 6161 1 1048 . 1 1 90 90 LYS CG C 13 24.62 0.12 . 1 . . . . 127 . . . 6161 1 1049 . 1 1 90 90 LYS H H 1 8.43 0.03 . 1 . . . . 127 . . . 6161 1 1050 . 1 1 90 90 LYS HA H 1 4.25 0.03 . 1 . . . . 127 . . . 6161 1 1051 . 1 1 90 90 LYS HB2 H 1 1.79 0.03 . 1 . . . . 127 . . . 6161 1 1052 . 1 1 90 90 LYS HB3 H 1 1.79 0.03 . 1 . . . . 127 . . . 6161 1 1053 . 1 1 90 90 LYS HD2 H 1 1.70 0.03 . 1 . . . . 127 . . . 6161 1 1054 . 1 1 90 90 LYS HD3 H 1 1.70 0.03 . 1 . . . . 127 . . . 6161 1 1055 . 1 1 90 90 LYS HE2 H 1 2.98 0.03 . 1 . . . . 127 . . . 6161 1 1056 . 1 1 90 90 LYS HE3 H 1 2.98 0.03 . 1 . . . . 127 . . . 6161 1 1057 . 1 1 90 90 LYS HG2 H 1 1.42 0.03 . 1 . . . . 127 . . . 6161 1 1058 . 1 1 90 90 LYS HG3 H 1 1.42 0.03 . 1 . . . . 127 . . . 6161 1 1059 . 1 1 90 90 LYS N N 15 121.77 0.15 . 1 . . . . 127 . . . 6161 1 1060 . 1 1 91 91 GLU CA C 13 56.43 0.12 . 1 . . . . 128 . . . 6161 1 1061 . 1 1 91 91 GLU CB C 13 30.25 0.12 . 1 . . . . 128 . . . 6161 1 1062 . 1 1 91 91 GLU CG C 13 36.21 0.12 . 1 . . . . 128 . . . 6161 1 1063 . 1 1 91 91 GLU H H 1 8.54 0.03 . 1 . . . . 128 . . . 6161 1 1064 . 1 1 91 91 GLU HA H 1 4.27 0.03 . 1 . . . . 128 . . . 6161 1 1065 . 1 1 91 91 GLU HB2 H 1 1.93 0.03 . 2 . . . . 128 . . . 6161 1 1066 . 1 1 91 91 GLU HB3 H 1 2.04 0.03 . 2 . . . . 128 . . . 6161 1 1067 . 1 1 91 91 GLU HG2 H 1 2.27 0.03 . 1 . . . . 128 . . . 6161 1 1068 . 1 1 91 91 GLU HG3 H 1 2.27 0.03 . 1 . . . . 128 . . . 6161 1 1069 . 1 1 91 91 GLU N N 15 122.57 0.15 . 1 . . . . 128 . . . 6161 1 1070 . 1 1 92 92 VAL CA C 13 62.09 0.12 . 1 . . . . 129 . . . 6161 1 1071 . 1 1 92 92 VAL CB C 13 32.82 0.12 . 1 . . . . 129 . . . 6161 1 1072 . 1 1 92 92 VAL CG1 C 13 20.72 0.12 . 1 . . . . 129 . . . 6161 1 1073 . 1 1 92 92 VAL CG2 C 13 20.72 0.12 . 1 . . . . 129 . . . 6161 1 1074 . 1 1 92 92 VAL H H 1 8.31 0.03 . 1 . . . . 129 . . . 6161 1 1075 . 1 1 92 92 VAL HA H 1 4.18 0.03 . 1 . . . . 129 . . . 6161 1 1076 . 1 1 92 92 VAL HB H 1 2.10 0.03 . 1 . . . . 129 . . . 6161 1 1077 . 1 1 92 92 VAL HG11 H 1 0.95 0.03 . 1 . . . . 129 . . . 6161 1 1078 . 1 1 92 92 VAL HG12 H 1 0.95 0.03 . 1 . . . . 129 . . . 6161 1 1079 . 1 1 92 92 VAL HG13 H 1 0.95 0.03 . 1 . . . . 129 . . . 6161 1 1080 . 1 1 92 92 VAL HG21 H 1 0.95 0.03 . 1 . . . . 129 . . . 6161 1 1081 . 1 1 92 92 VAL HG22 H 1 0.95 0.03 . 1 . . . . 129 . . . 6161 1 1082 . 1 1 92 92 VAL HG23 H 1 0.95 0.03 . 1 . . . . 129 . . . 6161 1 1083 . 1 1 92 92 VAL N N 15 121.28 0.15 . 1 . . . . 129 . . . 6161 1 1084 . 1 1 93 93 SER CA C 13 59.83 0.12 . 1 . . . . 130 . . . 6161 1 1085 . 1 1 93 93 SER CB C 13 64.71 0.12 . 1 . . . . 130 . . . 6161 1 1086 . 1 1 93 93 SER H H 1 8.06 0.03 . 1 . . . . 130 . . . 6161 1 1087 . 1 1 93 93 SER HA H 1 4.26 0.03 . 1 . . . . 130 . . . 6161 1 1088 . 1 1 93 93 SER HB2 H 1 3.82 0.03 . 1 . . . . 130 . . . 6161 1 1089 . 1 1 93 93 SER HB3 H 1 3.82 0.03 . 1 . . . . 130 . . . 6161 1 1090 . 1 1 93 93 SER N N 15 124.99 0.15 . 1 . . . . 130 . . . 6161 1 stop_ save_