data_5261 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5261 _Entry.Title ; Nuclease A Inhibitor (NuiA) Assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-01-17 _Entry.Accession_date 2002-01-17 _Entry.Last_release_date 2002-09-10 _Entry.Original_release_date 2002-09-10 _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 Thomas Kirby . W. . 5261 2 Geoffrey Mueller . A. . 5261 3 Eugene DeRose . F. . 5261 4 Mark Lebetkin . S. . 5261 5 Gregor Meiss . . . 5261 6 Alfred Pingoud . . . 5261 7 Robert London . E. . 5261 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5261 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 936 5261 '13C chemical shifts' 589 5261 '15N chemical shifts' 141 5261 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-09-10 2002-01-17 original author . 5261 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5261 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22090783 _Citation.DOI . _Citation.PubMed_ID 12095254 _Citation.Full_citation . _Citation.Title 'The Nuclease A Inhibitor represents a new Variation of the Rare PR-1 Fold' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 320 _Citation.Journal_issue 4 _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 771 _Citation.Page_last 782 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Kirby . W. . 5261 1 2 Geoffrey Mueller . A. . 5261 1 3 Eugene DeRose . F. . 5261 1 4 Mark Lebetkin . S. . 5261 1 5 Gregor Meiss . . . 5261 1 6 Alfred Pingoud . . . 5261 1 7 Robert London . E. . 5261 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NuiA 5261 1 NucA 5261 1 Anabaena 5261 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NuiA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NuiA _Assembly.Entry_ID 5261 _Assembly.ID 1 _Assembly.Name 'Nuclease A Inhibitor' _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 5261 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 'Nuclease A Inhibitor' 1 $NuiA . . . native . . . . . 5261 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 1KTU . . . . . . 5261 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Nuclease A Inhibitor' system 5261 1 NuiA abbreviation 5261 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'nuclease inhibitor' 5261 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NuiA _Entity.Sf_category entity _Entity.Sf_framecode NuiA _Entity.Entry_ID 5261 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nuclease A Inhibitor' _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 ; MHHHHHHGSTKTNSEILEQL KQASDGLLFMSESEYPFEVF LWEGSAPPVTHEIVLQQTGH GQDAPFKVVDIDSFFSRATT PQDWYEDEENAVVAKFQKLL EVIKSNLKNPQVYRLGEVEL DVYVIGETPAGNLAGISTKV VET ; _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 143 _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 1J57 . Nuia . . . . . 100.00 143 100.00 100.00 7.19e-100 . . . . 5261 1 2 no PDB 1KTU . Nuia . . . . . 100.00 143 100.00 100.00 7.19e-100 . . . . 5261 1 3 no PDB 2O3B . "Crystal Structure Complex Of Nuclease A (Nuca) With Intra-Cellular Inhibitor Nuia" . . . . . 95.10 136 100.00 100.00 3.21e-93 . . . . 5261 1 4 no DBJ BAB77119 . "sugar-non-specific nuclease inhibitor [Nostoc sp. PCC 7120]" . . . . . 93.71 135 100.00 100.00 9.18e-92 . . . . 5261 1 5 no EMBL CAA54677 . "nuclease inhibitor [Nostoc sp. PCC 7120]" . . . . . 93.71 135 100.00 100.00 9.18e-92 . . . . 5261 1 6 no GB ABA25047 . "Nuclease A inhibitor-like protein [Anabaena variabilis ATCC 29413]" . . . . . 93.01 135 100.00 100.00 4.01e-91 . . . . 5261 1 7 no REF WP_010999910 . "nuclease [Nostoc sp. PCC 7120]" . . . . . 93.71 135 100.00 100.00 9.18e-92 . . . . 5261 1 8 no REF WP_011316624 . "nuclease [Anabaena variabilis]" . . . . . 93.01 135 100.00 100.00 4.01e-91 . . . . 5261 1 9 no REF YP_227662 . "sugar-non-specific nuclease inhibitor [Nostoc sp. PCC 7120]" . . . . . 93.71 135 100.00 100.00 9.18e-92 . . . . 5261 1 10 no REF YP_320236 . "nuclease A inhibitor-like [Anabaena variabilis ATCC 29413]" . . . . . 93.01 135 100.00 100.00 4.01e-91 . . . . 5261 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Nuclease A Inhibitor' common 5261 1 NuiA abbreviation 5261 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 . MET . 5261 1 2 . HIS . 5261 1 3 . HIS . 5261 1 4 . HIS . 5261 1 5 . HIS . 5261 1 6 . HIS . 5261 1 7 . HIS . 5261 1 8 . GLY . 5261 1 9 . SER . 5261 1 10 . THR . 5261 1 11 . LYS . 5261 1 12 . THR . 5261 1 13 . ASN . 5261 1 14 . SER . 5261 1 15 . GLU . 5261 1 16 . ILE . 5261 1 17 . LEU . 5261 1 18 . GLU . 5261 1 19 . GLN . 5261 1 20 . LEU . 5261 1 21 . LYS . 5261 1 22 . GLN . 5261 1 23 . ALA . 5261 1 24 . SER . 5261 1 25 . ASP . 5261 1 26 . GLY . 5261 1 27 . LEU . 5261 1 28 . LEU . 5261 1 29 . PHE . 5261 1 30 . MET . 5261 1 31 . SER . 5261 1 32 . GLU . 5261 1 33 . SER . 5261 1 34 . GLU . 5261 1 35 . TYR . 5261 1 36 . PRO . 5261 1 37 . PHE . 5261 1 38 . GLU . 5261 1 39 . VAL . 5261 1 40 . PHE . 5261 1 41 . LEU . 5261 1 42 . TRP . 5261 1 43 . GLU . 5261 1 44 . GLY . 5261 1 45 . SER . 5261 1 46 . ALA . 5261 1 47 . PRO . 5261 1 48 . PRO . 5261 1 49 . VAL . 5261 1 50 . THR . 5261 1 51 . HIS . 5261 1 52 . GLU . 5261 1 53 . ILE . 5261 1 54 . VAL . 5261 1 55 . LEU . 5261 1 56 . GLN . 5261 1 57 . GLN . 5261 1 58 . THR . 5261 1 59 . GLY . 5261 1 60 . HIS . 5261 1 61 . GLY . 5261 1 62 . GLN . 5261 1 63 . ASP . 5261 1 64 . ALA . 5261 1 65 . PRO . 5261 1 66 . PHE . 5261 1 67 . LYS . 5261 1 68 . VAL . 5261 1 69 . VAL . 5261 1 70 . ASP . 5261 1 71 . ILE . 5261 1 72 . ASP . 5261 1 73 . SER . 5261 1 74 . PHE . 5261 1 75 . PHE . 5261 1 76 . SER . 5261 1 77 . ARG . 5261 1 78 . ALA . 5261 1 79 . THR . 5261 1 80 . THR . 5261 1 81 . PRO . 5261 1 82 . GLN . 5261 1 83 . ASP . 5261 1 84 . TRP . 5261 1 85 . TYR . 5261 1 86 . GLU . 5261 1 87 . ASP . 5261 1 88 . GLU . 5261 1 89 . GLU . 5261 1 90 . ASN . 5261 1 91 . ALA . 5261 1 92 . VAL . 5261 1 93 . VAL . 5261 1 94 . ALA . 5261 1 95 . LYS . 5261 1 96 . PHE . 5261 1 97 . GLN . 5261 1 98 . LYS . 5261 1 99 . LEU . 5261 1 100 . LEU . 5261 1 101 . GLU . 5261 1 102 . VAL . 5261 1 103 . ILE . 5261 1 104 . LYS . 5261 1 105 . SER . 5261 1 106 . ASN . 5261 1 107 . LEU . 5261 1 108 . LYS . 5261 1 109 . ASN . 5261 1 110 . PRO . 5261 1 111 . GLN . 5261 1 112 . VAL . 5261 1 113 . TYR . 5261 1 114 . ARG . 5261 1 115 . LEU . 5261 1 116 . GLY . 5261 1 117 . GLU . 5261 1 118 . VAL . 5261 1 119 . GLU . 5261 1 120 . LEU . 5261 1 121 . ASP . 5261 1 122 . VAL . 5261 1 123 . TYR . 5261 1 124 . VAL . 5261 1 125 . ILE . 5261 1 126 . GLY . 5261 1 127 . GLU . 5261 1 128 . THR . 5261 1 129 . PRO . 5261 1 130 . ALA . 5261 1 131 . GLY . 5261 1 132 . ASN . 5261 1 133 . LEU . 5261 1 134 . ALA . 5261 1 135 . GLY . 5261 1 136 . ILE . 5261 1 137 . SER . 5261 1 138 . THR . 5261 1 139 . LYS . 5261 1 140 . VAL . 5261 1 141 . VAL . 5261 1 142 . GLU . 5261 1 143 . THR . 5261 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5261 1 . HIS 2 2 5261 1 . HIS 3 3 5261 1 . HIS 4 4 5261 1 . HIS 5 5 5261 1 . HIS 6 6 5261 1 . HIS 7 7 5261 1 . GLY 8 8 5261 1 . SER 9 9 5261 1 . THR 10 10 5261 1 . LYS 11 11 5261 1 . THR 12 12 5261 1 . ASN 13 13 5261 1 . SER 14 14 5261 1 . GLU 15 15 5261 1 . ILE 16 16 5261 1 . LEU 17 17 5261 1 . GLU 18 18 5261 1 . GLN 19 19 5261 1 . LEU 20 20 5261 1 . LYS 21 21 5261 1 . GLN 22 22 5261 1 . ALA 23 23 5261 1 . SER 24 24 5261 1 . ASP 25 25 5261 1 . GLY 26 26 5261 1 . LEU 27 27 5261 1 . LEU 28 28 5261 1 . PHE 29 29 5261 1 . MET 30 30 5261 1 . SER 31 31 5261 1 . GLU 32 32 5261 1 . SER 33 33 5261 1 . GLU 34 34 5261 1 . TYR 35 35 5261 1 . PRO 36 36 5261 1 . PHE 37 37 5261 1 . GLU 38 38 5261 1 . VAL 39 39 5261 1 . PHE 40 40 5261 1 . LEU 41 41 5261 1 . TRP 42 42 5261 1 . GLU 43 43 5261 1 . GLY 44 44 5261 1 . SER 45 45 5261 1 . ALA 46 46 5261 1 . PRO 47 47 5261 1 . PRO 48 48 5261 1 . VAL 49 49 5261 1 . THR 50 50 5261 1 . HIS 51 51 5261 1 . GLU 52 52 5261 1 . ILE 53 53 5261 1 . VAL 54 54 5261 1 . LEU 55 55 5261 1 . GLN 56 56 5261 1 . GLN 57 57 5261 1 . THR 58 58 5261 1 . GLY 59 59 5261 1 . HIS 60 60 5261 1 . GLY 61 61 5261 1 . GLN 62 62 5261 1 . ASP 63 63 5261 1 . ALA 64 64 5261 1 . PRO 65 65 5261 1 . PHE 66 66 5261 1 . LYS 67 67 5261 1 . VAL 68 68 5261 1 . VAL 69 69 5261 1 . ASP 70 70 5261 1 . ILE 71 71 5261 1 . ASP 72 72 5261 1 . SER 73 73 5261 1 . PHE 74 74 5261 1 . PHE 75 75 5261 1 . SER 76 76 5261 1 . ARG 77 77 5261 1 . ALA 78 78 5261 1 . THR 79 79 5261 1 . THR 80 80 5261 1 . PRO 81 81 5261 1 . GLN 82 82 5261 1 . ASP 83 83 5261 1 . TRP 84 84 5261 1 . TYR 85 85 5261 1 . GLU 86 86 5261 1 . ASP 87 87 5261 1 . GLU 88 88 5261 1 . GLU 89 89 5261 1 . ASN 90 90 5261 1 . ALA 91 91 5261 1 . VAL 92 92 5261 1 . VAL 93 93 5261 1 . ALA 94 94 5261 1 . LYS 95 95 5261 1 . PHE 96 96 5261 1 . GLN 97 97 5261 1 . LYS 98 98 5261 1 . LEU 99 99 5261 1 . LEU 100 100 5261 1 . GLU 101 101 5261 1 . VAL 102 102 5261 1 . ILE 103 103 5261 1 . LYS 104 104 5261 1 . SER 105 105 5261 1 . ASN 106 106 5261 1 . LEU 107 107 5261 1 . LYS 108 108 5261 1 . ASN 109 109 5261 1 . PRO 110 110 5261 1 . GLN 111 111 5261 1 . VAL 112 112 5261 1 . TYR 113 113 5261 1 . ARG 114 114 5261 1 . LEU 115 115 5261 1 . GLY 116 116 5261 1 . GLU 117 117 5261 1 . VAL 118 118 5261 1 . GLU 119 119 5261 1 . LEU 120 120 5261 1 . ASP 121 121 5261 1 . VAL 122 122 5261 1 . TYR 123 123 5261 1 . VAL 124 124 5261 1 . ILE 125 125 5261 1 . GLY 126 126 5261 1 . GLU 127 127 5261 1 . THR 128 128 5261 1 . PRO 129 129 5261 1 . ALA 130 130 5261 1 . GLY 131 131 5261 1 . ASN 132 132 5261 1 . LEU 133 133 5261 1 . ALA 134 134 5261 1 . GLY 135 135 5261 1 . ILE 136 136 5261 1 . SER 137 137 5261 1 . THR 138 138 5261 1 . LYS 139 139 5261 1 . VAL 140 140 5261 1 . VAL 141 141 5261 1 . GLU 142 142 5261 1 . THR 143 143 5261 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 5261 _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 $NuiA . . . . 'Anabaena PCC 7120' . . . Eubacteria . Anabaena 'PCC 7120' . . . . . . . . . . . . . . . . . . . . . 5261 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 5261 _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 $NuiA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5261 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5261 _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 'Nuclease A Inhibitor' '[U-13C; U-15N]' . . 1 $NuiA . . 3.3 . . mM . . . . 5261 1 2 Tris [U-2H] . . . . . . 90 . . mM . . . . 5261 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5261 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 n/a 5261 1 temperature 303 0.1 K 5261 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 5261 _Software.ID 1 _Software.Name nmrDraw _Software.Version 1.8 _Software.Details . save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 5261 _Software.ID 2 _Software.Name NMRVIEW _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 5261 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5261 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5261 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5261 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 500 . . . 5261 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5261 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 5261 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5261 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 5261 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5261 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5261 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5261 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5261 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5261 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 8 8 GLY CA C 13 45.229 0.05 . 1 . . . . . . . . 5261 1 2 . 1 1 8 8 GLY HA3 H 1 3.977 0.03 . 1 . . . . . . . . 5261 1 3 . 1 1 8 8 GLY HA2 H 1 3.977 0.03 . 1 . . . . . . . . 5261 1 4 . 1 1 8 8 GLY C C 13 173.927 0.05 . 1 . . . . . . . . 5261 1 5 . 1 1 9 9 SER N N 15 115.638 0.05 . 1 . . . . . . . . 5261 1 6 . 1 1 9 9 SER H H 1 8.257 0.03 . 1 . . . . . . . . 5261 1 7 . 1 1 9 9 SER CA C 13 58.255 0.05 . 1 . . . . . . . . 5261 1 8 . 1 1 9 9 SER HA H 1 4.538 0.03 . 1 . . . . . . . . 5261 1 9 . 1 1 9 9 SER CB C 13 64.016 0.05 . 1 . . . . . . . . 5261 1 10 . 1 1 9 9 SER HB3 H 1 3.847 0.03 . 2 . . . . . . . . 5261 1 11 . 1 1 9 9 SER HB2 H 1 3.907 0.03 . 2 . . . . . . . . 5261 1 12 . 1 1 9 9 SER C C 13 174.642 0.05 . 1 . . . . . . . . 5261 1 13 . 1 1 10 10 THR N N 15 116.116 0.05 . 1 . . . . . . . . 5261 1 14 . 1 1 10 10 THR H H 1 8.202 0.03 . 1 . . . . . . . . 5261 1 15 . 1 1 10 10 THR CA C 13 61.621 0.05 . 1 . . . . . . . . 5261 1 16 . 1 1 10 10 THR HA H 1 4.356 0.03 . 1 . . . . . . . . 5261 1 17 . 1 1 10 10 THR CB C 13 69.798 0.05 . 1 . . . . . . . . 5261 1 18 . 1 1 10 10 THR HB H 1 4.167 0.03 . 1 . . . . . . . . 5261 1 19 . 1 1 10 10 THR CG2 C 13 21.691 0.05 . 1 . . . . . . . . 5261 1 20 . 1 1 10 10 THR HG21 H 1 1.168 0.03 . 1 . . . . . . . . 5261 1 21 . 1 1 10 10 THR HG22 H 1 1.168 0.03 . 1 . . . . . . . . 5261 1 22 . 1 1 10 10 THR HG23 H 1 1.168 0.03 . 1 . . . . . . . . 5261 1 23 . 1 1 10 10 THR C C 13 174.426 0.05 . 1 . . . . . . . . 5261 1 24 . 1 1 11 11 LYS N N 15 124.258 0.05 . 1 . . . . . . . . 5261 1 25 . 1 1 11 11 LYS H H 1 8.226 0.03 . 1 . . . . . . . . 5261 1 26 . 1 1 11 11 LYS CA C 13 56.793 0.05 . 1 . . . . . . . . 5261 1 27 . 1 1 11 11 LYS HA H 1 4.424 0.03 . 1 . . . . . . . . 5261 1 28 . 1 1 11 11 LYS CB C 13 34.104 0.05 . 1 . . . . . . . . 5261 1 29 . 1 1 11 11 LYS HB3 H 1 1.715 0.03 . 1 . . . . . . . . 5261 1 30 . 1 1 11 11 LYS HB2 H 1 1.715 0.03 . 1 . . . . . . . . 5261 1 31 . 1 1 11 11 LYS CG C 13 25.477 0.05 . 1 . . . . . . . . 5261 1 32 . 1 1 11 11 LYS HG3 H 1 1.539 0.03 . 2 . . . . . . . . 5261 1 33 . 1 1 11 11 LYS HG2 H 1 1.489 0.03 . 2 . . . . . . . . 5261 1 34 . 1 1 11 11 LYS CD C 13 29.460 0.05 . 1 . . . . . . . . 5261 1 35 . 1 1 11 11 LYS HD3 H 1 1.564 0.03 . 1 . . . . . . . . 5261 1 36 . 1 1 11 11 LYS HD2 H 1 1.564 0.03 . 1 . . . . . . . . 5261 1 37 . 1 1 11 11 LYS CE C 13 42.238 0.05 . 1 . . . . . . . . 5261 1 38 . 1 1 11 11 LYS HE3 H 1 2.920 0.03 . 1 . . . . . . . . 5261 1 39 . 1 1 11 11 LYS HE2 H 1 2.920 0.03 . 1 . . . . . . . . 5261 1 40 . 1 1 11 11 LYS C C 13 177.060 0.05 . 1 . . . . . . . . 5261 1 41 . 1 1 12 12 THR N N 15 114.470 0.05 . 1 . . . . . . . . 5261 1 42 . 1 1 12 12 THR H H 1 8.742 0.03 . 1 . . . . . . . . 5261 1 43 . 1 1 12 12 THR CA C 13 60.880 0.05 . 1 . . . . . . . . 5261 1 44 . 1 1 12 12 THR HA H 1 4.663 0.03 . 1 . . . . . . . . 5261 1 45 . 1 1 12 12 THR CB C 13 70.847 0.05 . 1 . . . . . . . . 5261 1 46 . 1 1 12 12 THR HB H 1 4.228 0.03 . 1 . . . . . . . . 5261 1 47 . 1 1 12 12 THR CG2 C 13 21.968 0.05 . 1 . . . . . . . . 5261 1 48 . 1 1 12 12 THR HG21 H 1 1.361 0.03 . 1 . . . . . . . . 5261 1 49 . 1 1 12 12 THR HG22 H 1 1.361 0.03 . 1 . . . . . . . . 5261 1 50 . 1 1 12 12 THR HG23 H 1 1.361 0.03 . 1 . . . . . . . . 5261 1 51 . 1 1 12 12 THR C C 13 175.343 0.05 . 1 . . . . . . . . 5261 1 52 . 1 1 13 13 ASN N N 15 119.442 0.05 . 1 . . . . . . . . 5261 1 53 . 1 1 13 13 ASN H H 1 9.221 0.03 . 1 . . . . . . . . 5261 1 54 . 1 1 13 13 ASN CA C 13 55.895 0.05 . 1 . . . . . . . . 5261 1 55 . 1 1 13 13 ASN HA H 1 4.354 0.03 . 1 . . . . . . . . 5261 1 56 . 1 1 13 13 ASN CB C 13 37.547 0.05 . 1 . . . . . . . . 5261 1 57 . 1 1 13 13 ASN HB3 H 1 2.917 0.03 . 2 . . . . . . . . 5261 1 58 . 1 1 13 13 ASN HB2 H 1 2.596 0.03 . 2 . . . . . . . . 5261 1 59 . 1 1 13 13 ASN ND2 N 15 114.606 0.05 . 1 . . . . . . . . 5261 1 60 . 1 1 13 13 ASN HD21 H 1 8.098 0.03 . 2 . . . . . . . . 5261 1 61 . 1 1 13 13 ASN HD22 H 1 7.791 0.03 . 2 . . . . . . . . 5261 1 62 . 1 1 13 13 ASN C C 13 177.438 0.05 . 1 . . . . . . . . 5261 1 63 . 1 1 14 14 SER N N 15 113.662 0.05 . 1 . . . . . . . . 5261 1 64 . 1 1 14 14 SER H H 1 8.447 0.03 . 1 . . . . . . . . 5261 1 65 . 1 1 14 14 SER CA C 13 62.224 0.05 . 1 . . . . . . . . 5261 1 66 . 1 1 14 14 SER HA H 1 4.060 0.03 . 1 . . . . . . . . 5261 1 67 . 1 1 14 14 SER CB C 13 62.377 0.05 . 1 . . . . . . . . 5261 1 68 . 1 1 14 14 SER HB3 H 1 3.880 0.03 . 1 . . . . . . . . 5261 1 69 . 1 1 14 14 SER HB2 H 1 3.880 0.03 . 1 . . . . . . . . 5261 1 70 . 1 1 14 14 SER C C 13 176.770 0.05 . 1 . . . . . . . . 5261 1 71 . 1 1 15 15 GLU N N 15 122.768 0.05 . 1 . . . . . . . . 5261 1 72 . 1 1 15 15 GLU H H 1 7.656 0.03 . 1 . . . . . . . . 5261 1 73 . 1 1 15 15 GLU CA C 13 59.291 0.05 . 1 . . . . . . . . 5261 1 74 . 1 1 15 15 GLU HA H 1 4.052 0.03 . 1 . . . . . . . . 5261 1 75 . 1 1 15 15 GLU CB C 13 30.138 0.05 . 1 . . . . . . . . 5261 1 76 . 1 1 15 15 GLU HB3 H 1 2.291 0.03 . 2 . . . . . . . . 5261 1 77 . 1 1 15 15 GLU HB2 H 1 1.935 0.03 . 2 . . . . . . . . 5261 1 78 . 1 1 15 15 GLU CG C 13 37.452 0.05 . 1 . . . . . . . . 5261 1 79 . 1 1 15 15 GLU HG3 H 1 2.289 0.03 . 1 . . . . . . . . 5261 1 80 . 1 1 15 15 GLU HG2 H 1 2.289 0.03 . 1 . . . . . . . . 5261 1 81 . 1 1 15 15 GLU C C 13 179.243 0.05 . 1 . . . . . . . . 5261 1 82 . 1 1 16 16 ILE N N 15 120.743 0.05 . 1 . . . . . . . . 5261 1 83 . 1 1 16 16 ILE H H 1 7.873 0.03 . 1 . . . . . . . . 5261 1 84 . 1 1 16 16 ILE CA C 13 64.729 0.05 . 1 . . . . . . . . 5261 1 85 . 1 1 16 16 ILE HA H 1 3.486 0.03 . 1 . . . . . . . . 5261 1 86 . 1 1 16 16 ILE CB C 13 37.231 0.05 . 1 . . . . . . . . 5261 1 87 . 1 1 16 16 ILE HB H 1 2.006 0.03 . 1 . . . . . . . . 5261 1 88 . 1 1 16 16 ILE CG1 C 13 29.216 0.05 . 1 . . . . . . . . 5261 1 89 . 1 1 16 16 ILE HG13 H 1 1.670 0.03 . 2 . . . . . . . . 5261 1 90 . 1 1 16 16 ILE HG12 H 1 1.160 0.03 . 2 . . . . . . . . 5261 1 91 . 1 1 16 16 ILE CD1 C 13 13.936 0.05 . 1 . . . . . . . . 5261 1 92 . 1 1 16 16 ILE HD11 H 1 0.857 0.03 . 1 . . . . . . . . 5261 1 93 . 1 1 16 16 ILE HD12 H 1 0.857 0.03 . 1 . . . . . . . . 5261 1 94 . 1 1 16 16 ILE HD13 H 1 0.857 0.03 . 1 . . . . . . . . 5261 1 95 . 1 1 16 16 ILE CG2 C 13 16.721 0.05 . 1 . . . . . . . . 5261 1 96 . 1 1 16 16 ILE HG21 H 1 0.634 0.03 . 1 . . . . . . . . 5261 1 97 . 1 1 16 16 ILE HG22 H 1 0.634 0.03 . 1 . . . . . . . . 5261 1 98 . 1 1 16 16 ILE HG23 H 1 0.634 0.03 . 1 . . . . . . . . 5261 1 99 . 1 1 16 16 ILE C C 13 177.542 0.05 . 1 . . . . . . . . 5261 1 100 . 1 1 17 17 LEU N N 15 119.869 0.05 . 1 . . . . . . . . 5261 1 101 . 1 1 17 17 LEU H H 1 8.264 0.03 . 1 . . . . . . . . 5261 1 102 . 1 1 17 17 LEU CA C 13 58.635 0.05 . 1 . . . . . . . . 5261 1 103 . 1 1 17 17 LEU HA H 1 3.757 0.03 . 1 . . . . . . . . 5261 1 104 . 1 1 17 17 LEU CB C 13 41.381 0.05 . 1 . . . . . . . . 5261 1 105 . 1 1 17 17 LEU HB3 H 1 1.530 0.03 . 1 . . . . . . . . 5261 1 106 . 1 1 17 17 LEU HB2 H 1 1.530 0.03 . 1 . . . . . . . . 5261 1 107 . 1 1 17 17 LEU CG C 13 27.352 0.05 . 1 . . . . . . . . 5261 1 108 . 1 1 17 17 LEU HG H 1 1.720 0.03 . 1 . . . . . . . . 5261 1 109 . 1 1 17 17 LEU CD1 C 13 24.964 0.05 . 2 . . . . . . . . 5261 1 110 . 1 1 17 17 LEU HD11 H 1 0.825 0.03 . 2 . . . . . . . . 5261 1 111 . 1 1 17 17 LEU HD12 H 1 0.825 0.03 . 2 . . . . . . . . 5261 1 112 . 1 1 17 17 LEU HD13 H 1 0.825 0.03 . 2 . . . . . . . . 5261 1 113 . 1 1 17 17 LEU CD2 C 13 23.241 0.05 . 2 . . . . . . . . 5261 1 114 . 1 1 17 17 LEU HD21 H 1 0.689 0.03 . 2 . . . . . . . . 5261 1 115 . 1 1 17 17 LEU HD22 H 1 0.689 0.03 . 2 . . . . . . . . 5261 1 116 . 1 1 17 17 LEU HD23 H 1 0.689 0.03 . 2 . . . . . . . . 5261 1 117 . 1 1 17 17 LEU C C 13 179.197 0.05 . 1 . . . . . . . . 5261 1 118 . 1 1 18 18 GLU N N 15 118.150 0.05 . 1 . . . . . . . . 5261 1 119 . 1 1 18 18 GLU H H 1 7.829 0.03 . 1 . . . . . . . . 5261 1 120 . 1 1 18 18 GLU CA C 13 59.489 0.05 . 1 . . . . . . . . 5261 1 121 . 1 1 18 18 GLU HA H 1 4.152 0.03 . 1 . . . . . . . . 5261 1 122 . 1 1 18 18 GLU CB C 13 29.333 0.05 . 1 . . . . . . . . 5261 1 123 . 1 1 18 18 GLU HB3 H 1 2.129 0.03 . 2 . . . . . . . . 5261 1 124 . 1 1 18 18 GLU HB2 H 1 2.080 0.03 . 2 . . . . . . . . 5261 1 125 . 1 1 18 18 GLU CG C 13 35.934 0.05 . 1 . . . . . . . . 5261 1 126 . 1 1 18 18 GLU HG3 H 1 2.326 0.03 . 2 . . . . . . . . 5261 1 127 . 1 1 18 18 GLU HG2 H 1 2.285 0.03 . 2 . . . . . . . . 5261 1 128 . 1 1 18 18 GLU C C 13 178.996 0.05 . 1 . . . . . . . . 5261 1 129 . 1 1 19 19 GLN N N 15 118.408 0.05 . 1 . . . . . . . . 5261 1 130 . 1 1 19 19 GLN H H 1 7.828 0.03 . 1 . . . . . . . . 5261 1 131 . 1 1 19 19 GLN CA C 13 59.144 0.05 . 1 . . . . . . . . 5261 1 132 . 1 1 19 19 GLN HA H 1 3.979 0.03 . 1 . . . . . . . . 5261 1 133 . 1 1 19 19 GLN CB C 13 28.378 0.05 . 1 . . . . . . . . 5261 1 134 . 1 1 19 19 GLN HB3 H 1 2.083 0.03 . 2 . . . . . . . . 5261 1 135 . 1 1 19 19 GLN HB2 H 1 1.976 0.03 . 2 . . . . . . . . 5261 1 136 . 1 1 19 19 GLN CG C 13 34.499 0.05 . 1 . . . . . . . . 5261 1 137 . 1 1 19 19 GLN HG3 H 1 2.501 0.03 . 2 . . . . . . . . 5261 1 138 . 1 1 19 19 GLN HG2 H 1 2.402 0.03 . 2 . . . . . . . . 5261 1 139 . 1 1 19 19 GLN NE2 N 15 111.835 0.05 . 1 . . . . . . . . 5261 1 140 . 1 1 19 19 GLN HE21 H 1 7.453 0.03 . 2 . . . . . . . . 5261 1 141 . 1 1 19 19 GLN HE22 H 1 6.750 0.03 . 2 . . . . . . . . 5261 1 142 . 1 1 19 19 GLN C C 13 179.589 0.05 . 1 . . . . . . . . 5261 1 143 . 1 1 20 20 LEU N N 15 119.327 0.05 . 1 . . . . . . . . 5261 1 144 . 1 1 20 20 LEU H H 1 8.377 0.03 . 1 . . . . . . . . 5261 1 145 . 1 1 20 20 LEU CA C 13 57.887 0.05 . 1 . . . . . . . . 5261 1 146 . 1 1 20 20 LEU HA H 1 3.723 0.03 . 1 . . . . . . . . 5261 1 147 . 1 1 20 20 LEU CB C 13 42.220 0.05 . 1 . . . . . . . . 5261 1 148 . 1 1 20 20 LEU HB3 H 1 1.665 0.03 . 2 . . . . . . . . 5261 1 149 . 1 1 20 20 LEU HB2 H 1 1.881 0.03 . 2 . . . . . . . . 5261 1 150 . 1 1 20 20 LEU CG C 13 22.719 0.05 . 1 . . . . . . . . 5261 1 151 . 1 1 20 20 LEU HG H 1 0.945 0.03 . 1 . . . . . . . . 5261 1 152 . 1 1 20 20 LEU CD1 C 13 25.403 0.05 . 2 . . . . . . . . 5261 1 153 . 1 1 20 20 LEU HD11 H 1 0.546 0.03 . 2 . . . . . . . . 5261 1 154 . 1 1 20 20 LEU HD12 H 1 0.546 0.03 . 2 . . . . . . . . 5261 1 155 . 1 1 20 20 LEU HD13 H 1 0.546 0.03 . 2 . . . . . . . . 5261 1 156 . 1 1 20 20 LEU CD2 C 13 22.764 0.05 . 2 . . . . . . . . 5261 1 157 . 1 1 20 20 LEU HD21 H 1 0.496 0.03 . 2 . . . . . . . . 5261 1 158 . 1 1 20 20 LEU HD22 H 1 0.496 0.03 . 2 . . . . . . . . 5261 1 159 . 1 1 20 20 LEU HD23 H 1 0.496 0.03 . 2 . . . . . . . . 5261 1 160 . 1 1 20 20 LEU C C 13 179.425 0.05 . 1 . . . . . . . . 5261 1 161 . 1 1 21 21 LYS N N 15 122.544 0.05 . 1 . . . . . . . . 5261 1 162 . 1 1 21 21 LYS H H 1 8.573 0.03 . 1 . . . . . . . . 5261 1 163 . 1 1 21 21 LYS CA C 13 59.869 0.05 . 1 . . . . . . . . 5261 1 164 . 1 1 21 21 LYS HA H 1 3.750 0.03 . 1 . . . . . . . . 5261 1 165 . 1 1 21 21 LYS CB C 13 32.464 0.05 . 1 . . . . . . . . 5261 1 166 . 1 1 21 21 LYS HB3 H 1 1.984 0.03 . 2 . . . . . . . . 5261 1 167 . 1 1 21 21 LYS HB2 H 1 1.866 0.03 . 2 . . . . . . . . 5261 1 168 . 1 1 21 21 LYS CG C 13 25.265 0.05 . 1 . . . . . . . . 5261 1 169 . 1 1 21 21 LYS HG3 H 1 1.514 0.03 . 2 . . . . . . . . 5261 1 170 . 1 1 21 21 LYS HG2 H 1 1.451 0.03 . 2 . . . . . . . . 5261 1 171 . 1 1 21 21 LYS CD C 13 29.266 0.05 . 1 . . . . . . . . 5261 1 172 . 1 1 21 21 LYS HD3 H 1 1.697 0.03 . 1 . . . . . . . . 5261 1 173 . 1 1 21 21 LYS HD2 H 1 1.697 0.03 . 1 . . . . . . . . 5261 1 174 . 1 1 21 21 LYS CE C 13 42.209 0.05 . 1 . . . . . . . . 5261 1 175 . 1 1 21 21 LYS HE3 H 1 2.944 0.03 . 1 . . . . . . . . 5261 1 176 . 1 1 21 21 LYS HE2 H 1 2.944 0.03 . 1 . . . . . . . . 5261 1 177 . 1 1 21 21 LYS C C 13 178.080 0.05 . 1 . . . . . . . . 5261 1 178 . 1 1 22 22 GLN N N 15 117.535 0.05 . 1 . . . . . . . . 5261 1 179 . 1 1 22 22 GLN H H 1 8.266 0.03 . 1 . . . . . . . . 5261 1 180 . 1 1 22 22 GLN CA C 13 58.937 0.05 . 1 . . . . . . . . 5261 1 181 . 1 1 22 22 GLN HA H 1 4.064 0.03 . 1 . . . . . . . . 5261 1 182 . 1 1 22 22 GLN CB C 13 28.337 0.05 . 1 . . . . . . . . 5261 1 183 . 1 1 22 22 GLN HB3 H 1 2.098 0.03 . 1 . . . . . . . . 5261 1 184 . 1 1 22 22 GLN HB2 H 1 2.098 0.03 . 1 . . . . . . . . 5261 1 185 . 1 1 22 22 GLN CG C 13 33.995 0.05 . 1 . . . . . . . . 5261 1 186 . 1 1 22 22 GLN HG3 H 1 2.584 0.03 . 2 . . . . . . . . 5261 1 187 . 1 1 22 22 GLN HG2 H 1 2.393 0.03 . 2 . . . . . . . . 5261 1 188 . 1 1 22 22 GLN NE2 N 15 111.435 0.05 . 1 . . . . . . . . 5261 1 189 . 1 1 22 22 GLN HE21 H 1 7.561 0.03 . 2 . . . . . . . . 5261 1 190 . 1 1 22 22 GLN HE22 H 1 6.732 0.03 . 2 . . . . . . . . 5261 1 191 . 1 1 22 22 GLN C C 13 178.638 0.05 . 1 . . . . . . . . 5261 1 192 . 1 1 23 23 ALA N N 15 116.771 0.05 . 1 . . . . . . . . 5261 1 193 . 1 1 23 23 ALA H H 1 7.795 0.03 . 1 . . . . . . . . 5261 1 194 . 1 1 23 23 ALA CA C 13 53.410 0.05 . 1 . . . . . . . . 5261 1 195 . 1 1 23 23 ALA HA H 1 4.186 0.03 . 1 . . . . . . . . 5261 1 196 . 1 1 23 23 ALA CB C 13 19.330 0.05 . 1 . . . . . . . . 5261 1 197 . 1 1 23 23 ALA HB1 H 1 1.350 0.03 . 1 . . . . . . . . 5261 1 198 . 1 1 23 23 ALA HB2 H 1 1.350 0.03 . 1 . . . . . . . . 5261 1 199 . 1 1 23 23 ALA HB3 H 1 1.350 0.03 . 1 . . . . . . . . 5261 1 200 . 1 1 23 23 ALA C C 13 177.340 0.05 . 1 . . . . . . . . 5261 1 201 . 1 1 24 24 SER N N 15 108.716 0.05 . 1 . . . . . . . . 5261 1 202 . 1 1 24 24 SER H H 1 7.526 0.03 . 1 . . . . . . . . 5261 1 203 . 1 1 24 24 SER CA C 13 58.721 0.05 . 1 . . . . . . . . 5261 1 204 . 1 1 24 24 SER HA H 1 4.282 0.03 . 1 . . . . . . . . 5261 1 205 . 1 1 24 24 SER CB C 13 65.144 0.05 . 1 . . . . . . . . 5261 1 206 . 1 1 24 24 SER HB3 H 1 3.909 0.03 . 2 . . . . . . . . 5261 1 207 . 1 1 24 24 SER HB2 H 1 3.447 0.03 . 2 . . . . . . . . 5261 1 208 . 1 1 24 24 SER C C 13 174.666 0.05 . 1 . . . . . . . . 5261 1 209 . 1 1 25 25 ASP N N 15 126.064 0.05 . 1 . . . . . . . . 5261 1 210 . 1 1 25 25 ASP H H 1 7.554 0.03 . 1 . . . . . . . . 5261 1 211 . 1 1 25 25 ASP CA C 13 56.590 0.05 . 1 . . . . . . . . 5261 1 212 . 1 1 25 25 ASP HA H 1 4.547 0.03 . 1 . . . . . . . . 5261 1 213 . 1 1 25 25 ASP CB C 13 41.478 0.05 . 1 . . . . . . . . 5261 1 214 . 1 1 25 25 ASP HB3 H 1 2.915 0.03 . 2 . . . . . . . . 5261 1 215 . 1 1 25 25 ASP HB2 H 1 2.630 0.03 . 2 . . . . . . . . 5261 1 216 . 1 1 25 25 ASP C C 13 177.337 0.05 . 1 . . . . . . . . 5261 1 217 . 1 1 26 26 GLY N N 15 114.237 0.05 . 1 . . . . . . . . 5261 1 218 . 1 1 26 26 GLY H H 1 8.848 0.03 . 1 . . . . . . . . 5261 1 219 . 1 1 26 26 GLY CA C 13 45.882 0.05 . 1 . . . . . . . . 5261 1 220 . 1 1 26 26 GLY HA3 H 1 4.149 0.03 . 2 . . . . . . . . 5261 1 221 . 1 1 26 26 GLY HA2 H 1 3.747 0.03 . 2 . . . . . . . . 5261 1 222 . 1 1 26 26 GLY C C 13 173.769 0.05 . 1 . . . . . . . . 5261 1 223 . 1 1 27 27 LEU N N 15 119.878 0.05 . 1 . . . . . . . . 5261 1 224 . 1 1 27 27 LEU H H 1 7.546 0.03 . 1 . . . . . . . . 5261 1 225 . 1 1 27 27 LEU CA C 13 54.535 0.05 . 1 . . . . . . . . 5261 1 226 . 1 1 27 27 LEU HA H 1 4.529 0.03 . 1 . . . . . . . . 5261 1 227 . 1 1 27 27 LEU CB C 13 43.096 0.05 . 1 . . . . . . . . 5261 1 228 . 1 1 27 27 LEU HB3 H 1 1.728 0.03 . 2 . . . . . . . . 5261 1 229 . 1 1 27 27 LEU HB2 H 1 1.325 0.03 . 2 . . . . . . . . 5261 1 230 . 1 1 27 27 LEU CG C 13 26.812 0.05 . 1 . . . . . . . . 5261 1 231 . 1 1 27 27 LEU HG H 1 1.284 0.03 . 1 . . . . . . . . 5261 1 232 . 1 1 27 27 LEU CD1 C 13 25.138 0.05 . 2 . . . . . . . . 5261 1 233 . 1 1 27 27 LEU HD11 H 1 0.277 0.03 . 2 . . . . . . . . 5261 1 234 . 1 1 27 27 LEU HD12 H 1 0.277 0.03 . 2 . . . . . . . . 5261 1 235 . 1 1 27 27 LEU HD13 H 1 0.277 0.03 . 2 . . . . . . . . 5261 1 236 . 1 1 27 27 LEU CD2 C 13 23.020 0.05 . 2 . . . . . . . . 5261 1 237 . 1 1 27 27 LEU HD21 H 1 0.405 0.03 . 2 . . . . . . . . 5261 1 238 . 1 1 27 27 LEU HD22 H 1 0.405 0.03 . 2 . . . . . . . . 5261 1 239 . 1 1 27 27 LEU HD23 H 1 0.405 0.03 . 2 . . . . . . . . 5261 1 240 . 1 1 27 27 LEU C C 13 176.508 0.05 . 1 . . . . . . . . 5261 1 241 . 1 1 28 28 LEU N N 15 122.217 0.05 . 1 . . . . . . . . 5261 1 242 . 1 1 28 28 LEU H H 1 8.699 0.03 . 1 . . . . . . . . 5261 1 243 . 1 1 28 28 LEU CA C 13 53.156 0.05 . 1 . . . . . . . . 5261 1 244 . 1 1 28 28 LEU HA H 1 4.747 0.03 . 1 . . . . . . . . 5261 1 245 . 1 1 28 28 LEU CB C 13 44.119 0.05 . 1 . . . . . . . . 5261 1 246 . 1 1 28 28 LEU HB3 H 1 1.525 0.03 . 2 . . . . . . . . 5261 1 247 . 1 1 28 28 LEU HB2 H 1 1.725 0.03 . 2 . . . . . . . . 5261 1 248 . 1 1 28 28 LEU CG C 13 26.858 0.05 . 1 . . . . . . . . 5261 1 249 . 1 1 28 28 LEU HG H 1 0.997 0.03 . 1 . . . . . . . . 5261 1 250 . 1 1 28 28 LEU CD1 C 13 25.493 0.05 . 2 . . . . . . . . 5261 1 251 . 1 1 28 28 LEU HD11 H 1 0.810 0.03 . 2 . . . . . . . . 5261 1 252 . 1 1 28 28 LEU HD12 H 1 0.810 0.03 . 2 . . . . . . . . 5261 1 253 . 1 1 28 28 LEU HD13 H 1 0.810 0.03 . 2 . . . . . . . . 5261 1 254 . 1 1 28 28 LEU CD2 C 13 23.460 0.05 . 2 . . . . . . . . 5261 1 255 . 1 1 28 28 LEU HD21 H 1 0.660 0.03 . 2 . . . . . . . . 5261 1 256 . 1 1 28 28 LEU HD22 H 1 0.660 0.03 . 2 . . . . . . . . 5261 1 257 . 1 1 28 28 LEU HD23 H 1 0.660 0.03 . 2 . . . . . . . . 5261 1 258 . 1 1 28 28 LEU C C 13 175.466 0.05 . 1 . . . . . . . . 5261 1 259 . 1 1 29 29 PHE N N 15 124.972 0.05 . 1 . . . . . . . . 5261 1 260 . 1 1 29 29 PHE H H 1 9.474 0.03 . 1 . . . . . . . . 5261 1 261 . 1 1 29 29 PHE CA C 13 59.164 0.05 . 1 . . . . . . . . 5261 1 262 . 1 1 29 29 PHE HA H 1 4.580 0.03 . 1 . . . . . . . . 5261 1 263 . 1 1 29 29 PHE CB C 13 40.308 0.05 . 1 . . . . . . . . 5261 1 264 . 1 1 29 29 PHE HB3 H 1 2.973 0.03 . 1 . . . . . . . . 5261 1 265 . 1 1 29 29 PHE HB2 H 1 2.944 0.03 . 1 . . . . . . . . 5261 1 266 . 1 1 29 29 PHE CD1 C 13 133.812 0.05 . 1 . . . . . . . . 5261 1 267 . 1 1 29 29 PHE HD1 H 1 7.197 0.03 . 1 . . . . . . . . 5261 1 268 . 1 1 29 29 PHE CE1 C 13 131.061 0.05 . 1 . . . . . . . . 5261 1 269 . 1 1 29 29 PHE HE1 H 1 6.753 0.03 . 1 . . . . . . . . 5261 1 270 . 1 1 29 29 PHE CE2 C 13 131.061 0.05 . 1 . . . . . . . . 5261 1 271 . 1 1 29 29 PHE HE2 H 1 6.753 0.03 . 1 . . . . . . . . 5261 1 272 . 1 1 29 29 PHE CD2 C 13 133.812 0.05 . 1 . . . . . . . . 5261 1 273 . 1 1 29 29 PHE HD2 H 1 7.197 0.03 . 1 . . . . . . . . 5261 1 274 . 1 1 29 29 PHE C C 13 176.223 0.05 . 1 . . . . . . . . 5261 1 275 . 1 1 30 30 MET N N 15 130.473 0.05 . 1 . . . . . . . . 5261 1 276 . 1 1 30 30 MET H H 1 8.388 0.03 . 1 . . . . . . . . 5261 1 277 . 1 1 30 30 MET CA C 13 55.314 0.05 . 1 . . . . . . . . 5261 1 278 . 1 1 30 30 MET HA H 1 4.706 0.03 . 1 . . . . . . . . 5261 1 279 . 1 1 30 30 MET CB C 13 32.618 0.05 . 1 . . . . . . . . 5261 1 280 . 1 1 30 30 MET HB3 H 1 1.954 0.03 . 2 . . . . . . . . 5261 1 281 . 1 1 30 30 MET HB2 H 1 1.846 0.03 . 2 . . . . . . . . 5261 1 282 . 1 1 30 30 MET CG C 13 31.986 0.05 . 1 . . . . . . . . 5261 1 283 . 1 1 30 30 MET HG3 H 1 2.530 0.03 . 1 . . . . . . . . 5261 1 284 . 1 1 30 30 MET HG2 H 1 2.530 0.03 . 1 . . . . . . . . 5261 1 285 . 1 1 30 30 MET CE C 13 17.131 0.05 . 1 . . . . . . . . 5261 1 286 . 1 1 30 30 MET HE1 H 1 2.042 0.03 . 1 . . . . . . . . 5261 1 287 . 1 1 30 30 MET HE2 H 1 2.042 0.03 . 1 . . . . . . . . 5261 1 288 . 1 1 30 30 MET HE3 H 1 2.042 0.03 . 1 . . . . . . . . 5261 1 289 . 1 1 30 30 MET C C 13 174.266 0.05 . 1 . . . . . . . . 5261 1 290 . 1 1 31 31 SER N N 15 123.699 0.05 . 1 . . . . . . . . 5261 1 291 . 1 1 31 31 SER H H 1 8.827 0.03 . 1 . . . . . . . . 5261 1 292 . 1 1 31 31 SER CA C 13 57.715 0.05 . 1 . . . . . . . . 5261 1 293 . 1 1 31 31 SER HA H 1 4.427 0.03 . 1 . . . . . . . . 5261 1 294 . 1 1 31 31 SER CB C 13 62.932 0.05 . 1 . . . . . . . . 5261 1 295 . 1 1 31 31 SER HB3 H 1 4.119 0.03 . 2 . . . . . . . . 5261 1 296 . 1 1 31 31 SER HB2 H 1 4.015 0.03 . 2 . . . . . . . . 5261 1 297 . 1 1 31 31 SER C C 13 175.031 0.05 . 1 . . . . . . . . 5261 1 298 . 1 1 32 32 GLU N N 15 124.147 0.05 . 1 . . . . . . . . 5261 1 299 . 1 1 32 32 GLU H H 1 8.445 0.03 . 1 . . . . . . . . 5261 1 300 . 1 1 32 32 GLU CA C 13 58.724 0.05 . 1 . . . . . . . . 5261 1 301 . 1 1 32 32 GLU HA H 1 4.460 0.03 . 1 . . . . . . . . 5261 1 302 . 1 1 32 32 GLU CB C 13 29.103 0.05 . 1 . . . . . . . . 5261 1 303 . 1 1 32 32 GLU HB3 H 1 2.197 0.03 . 2 . . . . . . . . 5261 1 304 . 1 1 32 32 GLU HB2 H 1 1.798 0.03 . 2 . . . . . . . . 5261 1 305 . 1 1 32 32 GLU CG C 13 36.980 0.05 . 1 . . . . . . . . 5261 1 306 . 1 1 32 32 GLU HG3 H 1 2.416 0.03 . 2 . . . . . . . . 5261 1 307 . 1 1 32 32 GLU HG2 H 1 2.389 0.03 . 2 . . . . . . . . 5261 1 308 . 1 1 32 32 GLU C C 13 176.820 0.05 . 1 . . . . . . . . 5261 1 309 . 1 1 33 33 SER N N 15 112.710 0.05 . 1 . . . . . . . . 5261 1 310 . 1 1 33 33 SER H H 1 7.834 0.03 . 1 . . . . . . . . 5261 1 311 . 1 1 33 33 SER CA C 13 56.151 0.05 . 1 . . . . . . . . 5261 1 312 . 1 1 33 33 SER HA H 1 4.577 0.03 . 1 . . . . . . . . 5261 1 313 . 1 1 33 33 SER CB C 13 65.562 0.05 . 1 . . . . . . . . 5261 1 314 . 1 1 33 33 SER HB3 H 1 3.708 0.03 . 1 . . . . . . . . 5261 1 315 . 1 1 33 33 SER HB2 H 1 3.708 0.03 . 1 . . . . . . . . 5261 1 316 . 1 1 33 33 SER C C 13 172.423 0.05 . 1 . . . . . . . . 5261 1 317 . 1 1 34 34 GLU N N 15 119.367 0.05 . 1 . . . . . . . . 5261 1 318 . 1 1 34 34 GLU H H 1 8.104 0.03 . 1 . . . . . . . . 5261 1 319 . 1 1 34 34 GLU CA C 13 55.278 0.05 . 1 . . . . . . . . 5261 1 320 . 1 1 34 34 GLU HA H 1 5.169 0.03 . 1 . . . . . . . . 5261 1 321 . 1 1 34 34 GLU CB C 13 32.575 0.05 . 1 . . . . . . . . 5261 1 322 . 1 1 34 34 GLU HB3 H 1 1.780 0.03 . 1 . . . . . . . . 5261 1 323 . 1 1 34 34 GLU HB2 H 1 1.780 0.03 . 1 . . . . . . . . 5261 1 324 . 1 1 34 34 GLU CG C 13 36.277 0.05 . 1 . . . . . . . . 5261 1 325 . 1 1 34 34 GLU HG3 H 1 2.073 0.03 . 1 . . . . . . . . 5261 1 326 . 1 1 34 34 GLU HG2 H 1 2.073 0.03 . 1 . . . . . . . . 5261 1 327 . 1 1 34 34 GLU C C 13 177.851 0.05 . 1 . . . . . . . . 5261 1 328 . 1 1 35 35 TYR N N 15 121.024 0.05 . 1 . . . . . . . . 5261 1 329 . 1 1 35 35 TYR H H 1 8.005 0.03 . 1 . . . . . . . . 5261 1 330 . 1 1 35 35 TYR CA C 13 56.228 0.05 . 1 . . . . . . . . 5261 1 331 . 1 1 35 35 TYR HA H 1 4.968 0.03 . 1 . . . . . . . . 5261 1 332 . 1 1 35 35 TYR CB C 13 42.721 0.05 . 1 . . . . . . . . 5261 1 333 . 1 1 35 35 TYR HB3 H 1 2.932 0.03 . 2 . . . . . . . . 5261 1 334 . 1 1 35 35 TYR HB2 H 1 3.142 0.03 . 2 . . . . . . . . 5261 1 335 . 1 1 35 35 TYR CD1 C 13 133.812 0.05 . 1 . . . . . . . . 5261 1 336 . 1 1 35 35 TYR HD1 H 1 7.220 0.03 . 1 . . . . . . . . 5261 1 337 . 1 1 35 35 TYR CE1 C 13 118.288 0.05 . 1 . . . . . . . . 5261 1 338 . 1 1 35 35 TYR HE1 H 1 6.691 0.03 . 1 . . . . . . . . 5261 1 339 . 1 1 35 35 TYR CE2 C 13 118.288 0.05 . 1 . . . . . . . . 5261 1 340 . 1 1 35 35 TYR HE2 H 1 6.691 0.03 . 1 . . . . . . . . 5261 1 341 . 1 1 35 35 TYR CD2 C 13 133.812 0.05 . 1 . . . . . . . . 5261 1 342 . 1 1 35 35 TYR HD2 H 1 7.220 0.03 . 1 . . . . . . . . 5261 1 343 . 1 1 36 36 PRO CA C 13 61.961 0.05 . 1 . . . . . . . . 5261 1 344 . 1 1 36 36 PRO HA H 1 5.244 0.03 . 1 . . . . . . . . 5261 1 345 . 1 1 36 36 PRO CB C 13 33.554 0.05 . 1 . . . . . . . . 5261 1 346 . 1 1 36 36 PRO HB3 H 1 2.306 0.03 . 1 . . . . . . . . 5261 1 347 . 1 1 36 36 PRO HB2 H 1 2.306 0.03 . 1 . . . . . . . . 5261 1 348 . 1 1 36 36 PRO CG C 13 26.469 0.05 . 1 . . . . . . . . 5261 1 349 . 1 1 36 36 PRO HG3 H 1 2.136 0.03 . 2 . . . . . . . . 5261 1 350 . 1 1 36 36 PRO HG2 H 1 1.903 0.03 . 2 . . . . . . . . 5261 1 351 . 1 1 36 36 PRO CD C 13 50.050 0.05 . 1 . . . . . . . . 5261 1 352 . 1 1 36 36 PRO HD3 H 1 3.708 0.03 . 1 . . . . . . . . 5261 1 353 . 1 1 36 36 PRO HD2 H 1 3.708 0.03 . 1 . . . . . . . . 5261 1 354 . 1 1 36 36 PRO C C 13 177.045 0.05 . 1 . . . . . . . . 5261 1 355 . 1 1 37 37 PHE N N 15 118.700 0.05 . 1 . . . . . . . . 5261 1 356 . 1 1 37 37 PHE H H 1 9.386 0.03 . 1 . . . . . . . . 5261 1 357 . 1 1 37 37 PHE CA C 13 57.251 0.05 . 1 . . . . . . . . 5261 1 358 . 1 1 37 37 PHE HA H 1 5.871 0.03 . 1 . . . . . . . . 5261 1 359 . 1 1 37 37 PHE CB C 13 42.162 0.05 . 1 . . . . . . . . 5261 1 360 . 1 1 37 37 PHE HB3 H 1 2.943 0.03 . 2 . . . . . . . . 5261 1 361 . 1 1 37 37 PHE HB2 H 1 2.980 0.03 . 2 . . . . . . . . 5261 1 362 . 1 1 37 37 PHE CD1 C 13 133.614 0.05 . 1 . . . . . . . . 5261 1 363 . 1 1 37 37 PHE HD1 H 1 7.663 0.03 . 1 . . . . . . . . 5261 1 364 . 1 1 37 37 PHE CE1 C 13 130.145 0.05 . 1 . . . . . . . . 5261 1 365 . 1 1 37 37 PHE HE1 H 1 7.147 0.03 . 1 . . . . . . . . 5261 1 366 . 1 1 37 37 PHE CE2 C 13 130.145 0.05 . 1 . . . . . . . . 5261 1 367 . 1 1 37 37 PHE HE2 H 1 7.147 0.03 . 1 . . . . . . . . 5261 1 368 . 1 1 37 37 PHE CD2 C 13 133.614 0.05 . 1 . . . . . . . . 5261 1 369 . 1 1 37 37 PHE HD2 H 1 7.663 0.03 . 1 . . . . . . . . 5261 1 370 . 1 1 37 37 PHE C C 13 176.844 0.05 . 1 . . . . . . . . 5261 1 371 . 1 1 38 38 GLU N N 15 121.522 0.05 . 1 . . . . . . . . 5261 1 372 . 1 1 38 38 GLU H H 1 9.209 0.03 . 1 . . . . . . . . 5261 1 373 . 1 1 38 38 GLU CA C 13 54.785 0.05 . 1 . . . . . . . . 5261 1 374 . 1 1 38 38 GLU HA H 1 4.896 0.03 . 1 . . . . . . . . 5261 1 375 . 1 1 38 38 GLU CB C 13 32.581 0.05 . 1 . . . . . . . . 5261 1 376 . 1 1 38 38 GLU HB3 H 1 2.186 0.03 . 2 . . . . . . . . 5261 1 377 . 1 1 38 38 GLU HB2 H 1 1.999 0.03 . 2 . . . . . . . . 5261 1 378 . 1 1 38 38 GLU CG C 13 36.519 0.05 . 1 . . . . . . . . 5261 1 379 . 1 1 38 38 GLU HG3 H 1 2.329 0.03 . 1 . . . . . . . . 5261 1 380 . 1 1 38 38 GLU HG2 H 1 2.329 0.03 . 1 . . . . . . . . 5261 1 381 . 1 1 38 38 GLU C C 13 175.479 0.05 . 1 . . . . . . . . 5261 1 382 . 1 1 39 39 VAL N N 15 119.928 0.05 . 1 . . . . . . . . 5261 1 383 . 1 1 39 39 VAL H H 1 8.672 0.03 . 1 . . . . . . . . 5261 1 384 . 1 1 39 39 VAL CA C 13 61.114 0.05 . 1 . . . . . . . . 5261 1 385 . 1 1 39 39 VAL HA H 1 4.920 0.03 . 1 . . . . . . . . 5261 1 386 . 1 1 39 39 VAL CB C 13 33.243 0.05 . 1 . . . . . . . . 5261 1 387 . 1 1 39 39 VAL HB H 1 1.970 0.03 . 1 . . . . . . . . 5261 1 388 . 1 1 39 39 VAL CG2 C 13 22.377 0.05 . 2 . . . . . . . . 5261 1 389 . 1 1 39 39 VAL HG21 H 1 0.911 0.03 . 2 . . . . . . . . 5261 1 390 . 1 1 39 39 VAL HG22 H 1 0.911 0.03 . 2 . . . . . . . . 5261 1 391 . 1 1 39 39 VAL HG23 H 1 0.911 0.03 . 2 . . . . . . . . 5261 1 392 . 1 1 39 39 VAL CG1 C 13 20.613 0.05 . 2 . . . . . . . . 5261 1 393 . 1 1 39 39 VAL HG11 H 1 0.828 0.03 . 2 . . . . . . . . 5261 1 394 . 1 1 39 39 VAL HG12 H 1 0.828 0.03 . 2 . . . . . . . . 5261 1 395 . 1 1 39 39 VAL HG13 H 1 0.828 0.03 . 2 . . . . . . . . 5261 1 396 . 1 1 39 39 VAL C C 13 174.299 0.05 . 1 . . . . . . . . 5261 1 397 . 1 1 40 40 PHE N N 15 121.894 0.05 . 1 . . . . . . . . 5261 1 398 . 1 1 40 40 PHE H H 1 8.192 0.03 . 1 . . . . . . . . 5261 1 399 . 1 1 40 40 PHE CA C 13 56.368 0.05 . 1 . . . . . . . . 5261 1 400 . 1 1 40 40 PHE HA H 1 5.082 0.03 . 1 . . . . . . . . 5261 1 401 . 1 1 40 40 PHE CB C 13 42.839 0.05 . 1 . . . . . . . . 5261 1 402 . 1 1 40 40 PHE HB3 H 1 2.920 0.03 . 1 . . . . . . . . 5261 1 403 . 1 1 40 40 PHE HB2 H 1 2.920 0.03 . 1 . . . . . . . . 5261 1 404 . 1 1 40 40 PHE CD1 C 13 131.630 0.05 . 1 . . . . . . . . 5261 1 405 . 1 1 40 40 PHE HD1 H 1 6.062 0.03 . 1 . . . . . . . . 5261 1 406 . 1 1 40 40 PHE CE1 C 13 128.917 0.05 . 1 . . . . . . . . 5261 1 407 . 1 1 40 40 PHE HE1 H 1 5.949 0.03 . 1 . . . . . . . . 5261 1 408 . 1 1 40 40 PHE CE2 C 13 128.917 0.05 . 1 . . . . . . . . 5261 1 409 . 1 1 40 40 PHE HE2 H 1 5.949 0.03 . 1 . . . . . . . . 5261 1 410 . 1 1 40 40 PHE CD2 C 13 131.630 0.05 . 1 . . . . . . . . 5261 1 411 . 1 1 40 40 PHE HD2 H 1 6.062 0.03 . 1 . . . . . . . . 5261 1 412 . 1 1 40 40 PHE C C 13 170.957 0.05 . 1 . . . . . . . . 5261 1 413 . 1 1 41 41 LEU N N 15 119.612 0.05 . 1 . . . . . . . . 5261 1 414 . 1 1 41 41 LEU H H 1 8.151 0.03 . 1 . . . . . . . . 5261 1 415 . 1 1 41 41 LEU CA C 13 54.798 0.05 . 1 . . . . . . . . 5261 1 416 . 1 1 41 41 LEU HA H 1 4.431 0.03 . 1 . . . . . . . . 5261 1 417 . 1 1 41 41 LEU CB C 13 46.076 0.05 . 1 . . . . . . . . 5261 1 418 . 1 1 41 41 LEU HB3 H 1 1.788 0.03 . 2 . . . . . . . . 5261 1 419 . 1 1 41 41 LEU HB2 H 1 1.550 0.03 . 2 . . . . . . . . 5261 1 420 . 1 1 41 41 LEU CG C 13 28.143 0.05 . 1 . . . . . . . . 5261 1 421 . 1 1 41 41 LEU HG H 1 1.772 0.03 . 1 . . . . . . . . 5261 1 422 . 1 1 41 41 LEU CD1 C 13 25.960 0.05 . 2 . . . . . . . . 5261 1 423 . 1 1 41 41 LEU HD11 H 1 0.884 0.03 . 2 . . . . . . . . 5261 1 424 . 1 1 41 41 LEU HD12 H 1 0.884 0.03 . 2 . . . . . . . . 5261 1 425 . 1 1 41 41 LEU HD13 H 1 0.884 0.03 . 2 . . . . . . . . 5261 1 426 . 1 1 41 41 LEU CD2 C 13 23.942 0.05 . 2 . . . . . . . . 5261 1 427 . 1 1 41 41 LEU HD21 H 1 0.811 0.03 . 2 . . . . . . . . 5261 1 428 . 1 1 41 41 LEU HD22 H 1 0.811 0.03 . 2 . . . . . . . . 5261 1 429 . 1 1 41 41 LEU HD23 H 1 0.811 0.03 . 2 . . . . . . . . 5261 1 430 . 1 1 41 41 LEU C C 13 175.304 0.05 . 1 . . . . . . . . 5261 1 431 . 1 1 42 42 TRP N N 15 128.685 0.05 . 1 . . . . . . . . 5261 1 432 . 1 1 42 42 TRP H H 1 8.897 0.03 . 1 . . . . . . . . 5261 1 433 . 1 1 42 42 TRP CA C 13 52.910 0.05 . 1 . . . . . . . . 5261 1 434 . 1 1 42 42 TRP HA H 1 5.504 0.03 . 1 . . . . . . . . 5261 1 435 . 1 1 42 42 TRP CB C 13 27.786 0.05 . 1 . . . . . . . . 5261 1 436 . 1 1 42 42 TRP HB3 H 1 3.375 0.03 . 2 . . . . . . . . 5261 1 437 . 1 1 42 42 TRP HB2 H 1 2.979 0.03 . 2 . . . . . . . . 5261 1 438 . 1 1 42 42 TRP CD1 C 13 123.628 0.05 . 4 . . . . . . . . 5261 1 439 . 1 1 42 42 TRP HD1 H 1 7.159 0.03 . 1 . . . . . . . . 5261 1 440 . 1 1 42 42 TRP NE1 N 15 129.586 0.05 . 1 . . . . . . . . 5261 1 441 . 1 1 42 42 TRP HE1 H 1 9.820 0.03 . 1 . . . . . . . . 5261 1 442 . 1 1 42 42 TRP CZ2 C 13 114.837 0.05 . 4 . . . . . . . . 5261 1 443 . 1 1 42 42 TRP HZ2 H 1 6.164 0.03 . 4 . . . . . . . . 5261 1 444 . 1 1 42 42 TRP CZ3 C 13 122.814 0.05 . 4 . . . . . . . . 5261 1 445 . 1 1 42 42 TRP HZ3 H 1 6.153 0.03 . 4 . . . . . . . . 5261 1 446 . 1 1 42 42 TRP CE3 C 13 117.508 0.05 . 4 . . . . . . . . 5261 1 447 . 1 1 42 42 TRP C C 13 176.609 0.05 . 1 . . . . . . . . 5261 1 448 . 1 1 43 43 GLU N N 15 127.130 0.05 . 1 . . . . . . . . 5261 1 449 . 1 1 43 43 GLU H H 1 9.098 0.03 . 1 . . . . . . . . 5261 1 450 . 1 1 43 43 GLU CA C 13 58.656 0.05 . 1 . . . . . . . . 5261 1 451 . 1 1 43 43 GLU HA H 1 4.068 0.03 . 1 . . . . . . . . 5261 1 452 . 1 1 43 43 GLU CB C 13 29.868 0.05 . 1 . . . . . . . . 5261 1 453 . 1 1 43 43 GLU HB3 H 1 2.047 0.03 . 1 . . . . . . . . 5261 1 454 . 1 1 43 43 GLU HB2 H 1 2.047 0.03 . 1 . . . . . . . . 5261 1 455 . 1 1 43 43 GLU CG C 13 36.971 0.05 . 1 . . . . . . . . 5261 1 456 . 1 1 43 43 GLU HG3 H 1 2.346 0.03 . 2 . . . . . . . . 5261 1 457 . 1 1 43 43 GLU HG2 H 1 2.241 0.03 . 2 . . . . . . . . 5261 1 458 . 1 1 43 43 GLU C C 13 177.151 0.05 . 1 . . . . . . . . 5261 1 459 . 1 1 44 44 GLY N N 15 109.666 0.05 . 1 . . . . . . . . 5261 1 460 . 1 1 44 44 GLY H H 1 8.915 0.03 . 1 . . . . . . . . 5261 1 461 . 1 1 44 44 GLY CA C 13 45.565 0.05 . 1 . . . . . . . . 5261 1 462 . 1 1 44 44 GLY HA3 H 1 4.001 0.03 . 1 . . . . . . . . 5261 1 463 . 1 1 44 44 GLY HA2 H 1 4.001 0.03 . 1 . . . . . . . . 5261 1 464 . 1 1 44 44 GLY C C 13 173.914 0.05 . 1 . . . . . . . . 5261 1 465 . 1 1 45 45 SER N N 15 114.558 0.05 . 1 . . . . . . . . 5261 1 466 . 1 1 45 45 SER H H 1 7.483 0.03 . 1 . . . . . . . . 5261 1 467 . 1 1 45 45 SER CA C 13 58.019 0.05 . 1 . . . . . . . . 5261 1 468 . 1 1 45 45 SER HA H 1 4.671 0.03 . 1 . . . . . . . . 5261 1 469 . 1 1 45 45 SER CB C 13 65.902 0.05 . 1 . . . . . . . . 5261 1 470 . 1 1 45 45 SER HB3 H 1 3.858 0.03 . 2 . . . . . . . . 5261 1 471 . 1 1 45 45 SER HB2 H 1 3.938 0.03 . 2 . . . . . . . . 5261 1 472 . 1 1 45 45 SER C C 13 171.945 0.05 . 1 . . . . . . . . 5261 1 473 . 1 1 46 46 ALA N N 15 124.847 0.05 . 1 . . . . . . . . 5261 1 474 . 1 1 46 46 ALA H H 1 8.304 0.03 . 1 . . . . . . . . 5261 1 475 . 1 1 46 46 ALA CA C 13 50.161 0.05 . 1 . . . . . . . . 5261 1 476 . 1 1 46 46 ALA HA H 1 5.128 0.03 . 1 . . . . . . . . 5261 1 477 . 1 1 46 46 ALA CB C 13 20.727 0.05 . 1 . . . . . . . . 5261 1 478 . 1 1 46 46 ALA HB1 H 1 1.441 0.03 . 1 . . . . . . . . 5261 1 479 . 1 1 46 46 ALA HB2 H 1 1.441 0.03 . 1 . . . . . . . . 5261 1 480 . 1 1 46 46 ALA HB3 H 1 1.441 0.03 . 1 . . . . . . . . 5261 1 481 . 1 1 48 48 PRO CA C 13 61.499 0.05 . 1 . . . . . . . . 5261 1 482 . 1 1 48 48 PRO HA H 1 4.555 0.03 . 1 . . . . . . . . 5261 1 483 . 1 1 48 48 PRO CB C 13 34.797 0.05 . 1 . . . . . . . . 5261 1 484 . 1 1 48 48 PRO HB3 H 1 2.440 0.03 . 2 . . . . . . . . 5261 1 485 . 1 1 48 48 PRO HB2 H 1 2.063 0.03 . 2 . . . . . . . . 5261 1 486 . 1 1 48 48 PRO CG C 13 24.632 0.05 . 1 . . . . . . . . 5261 1 487 . 1 1 48 48 PRO HG3 H 1 1.936 0.03 . 2 . . . . . . . . 5261 1 488 . 1 1 48 48 PRO HG2 H 1 1.841 0.03 . 2 . . . . . . . . 5261 1 489 . 1 1 48 48 PRO CD C 13 50.797 0.05 . 1 . . . . . . . . 5261 1 490 . 1 1 48 48 PRO HD3 H 1 3.648 0.03 . 2 . . . . . . . . 5261 1 491 . 1 1 48 48 PRO HD2 H 1 3.482 0.03 . 2 . . . . . . . . 5261 1 492 . 1 1 48 48 PRO C C 13 175.595 0.05 . 1 . . . . . . . . 5261 1 493 . 1 1 49 49 VAL N N 15 120.956 0.05 . 1 . . . . . . . . 5261 1 494 . 1 1 49 49 VAL H H 1 8.925 0.03 . 1 . . . . . . . . 5261 1 495 . 1 1 49 49 VAL CA C 13 64.812 0.05 . 1 . . . . . . . . 5261 1 496 . 1 1 49 49 VAL HA H 1 3.668 0.03 . 1 . . . . . . . . 5261 1 497 . 1 1 49 49 VAL CB C 13 31.362 0.05 . 1 . . . . . . . . 5261 1 498 . 1 1 49 49 VAL HB H 1 2.121 0.03 . 1 . . . . . . . . 5261 1 499 . 1 1 49 49 VAL CG2 C 13 23.665 0.05 . 2 . . . . . . . . 5261 1 500 . 1 1 49 49 VAL HG21 H 1 1.029 0.03 . 2 . . . . . . . . 5261 1 501 . 1 1 49 49 VAL HG22 H 1 1.029 0.03 . 2 . . . . . . . . 5261 1 502 . 1 1 49 49 VAL HG23 H 1 1.029 0.03 . 2 . . . . . . . . 5261 1 503 . 1 1 49 49 VAL CG1 C 13 22.243 0.05 . 2 . . . . . . . . 5261 1 504 . 1 1 49 49 VAL HG11 H 1 0.734 0.03 . 2 . . . . . . . . 5261 1 505 . 1 1 49 49 VAL HG12 H 1 0.734 0.03 . 2 . . . . . . . . 5261 1 506 . 1 1 49 49 VAL HG13 H 1 0.734 0.03 . 2 . . . . . . . . 5261 1 507 . 1 1 49 49 VAL C C 13 174.709 0.05 . 1 . . . . . . . . 5261 1 508 . 1 1 50 50 THR N N 15 116.415 0.05 . 1 . . . . . . . . 5261 1 509 . 1 1 50 50 THR H H 1 6.674 0.03 . 1 . . . . . . . . 5261 1 510 . 1 1 50 50 THR CA C 13 58.720 0.05 . 1 . . . . . . . . 5261 1 511 . 1 1 50 50 THR HA H 1 4.779 0.03 . 1 . . . . . . . . 5261 1 512 . 1 1 50 50 THR CB C 13 72.412 0.05 . 1 . . . . . . . . 5261 1 513 . 1 1 50 50 THR HB H 1 4.616 0.03 . 1 . . . . . . . . 5261 1 514 . 1 1 50 50 THR CG2 C 13 20.330 0.05 . 1 . . . . . . . . 5261 1 515 . 1 1 50 50 THR HG21 H 1 1.170 0.03 . 1 . . . . . . . . 5261 1 516 . 1 1 50 50 THR HG22 H 1 1.170 0.03 . 1 . . . . . . . . 5261 1 517 . 1 1 50 50 THR HG23 H 1 1.170 0.03 . 1 . . . . . . . . 5261 1 518 . 1 1 52 52 GLU CA C 13 58.503 0.05 . 1 . . . . . . . . 5261 1 519 . 1 1 52 52 GLU HA H 1 3.794 0.03 . 1 . . . . . . . . 5261 1 520 . 1 1 52 52 GLU CB C 13 30.450 0.05 . 1 . . . . . . . . 5261 1 521 . 1 1 52 52 GLU HB3 H 1 2.625 0.03 . 1 . . . . . . . . 5261 1 522 . 1 1 52 52 GLU HB2 H 1 2.625 0.03 . 1 . . . . . . . . 5261 1 523 . 1 1 52 52 GLU CG C 13 30.450 0.05 . 1 . . . . . . . . 5261 1 524 . 1 1 52 52 GLU HG3 H 1 2.742 0.03 . 1 . . . . . . . . 5261 1 525 . 1 1 52 52 GLU HG2 H 1 2.742 0.03 . 1 . . . . . . . . 5261 1 526 . 1 1 52 52 GLU C C 13 176.116 0.05 . 1 . . . . . . . . 5261 1 527 . 1 1 53 53 ILE N N 15 116.815 0.05 . 1 . . . . . . . . 5261 1 528 . 1 1 53 53 ILE H H 1 8.356 0.03 . 1 . . . . . . . . 5261 1 529 . 1 1 53 53 ILE CA C 13 60.500 0.05 . 1 . . . . . . . . 5261 1 530 . 1 1 53 53 ILE HA H 1 3.659 0.03 . 1 . . . . . . . . 5261 1 531 . 1 1 53 53 ILE CB C 13 38.313 0.05 . 1 . . . . . . . . 5261 1 532 . 1 1 53 53 ILE HB H 1 1.808 0.03 . 1 . . . . . . . . 5261 1 533 . 1 1 53 53 ILE CG1 C 13 29.244 0.05 . 1 . . . . . . . . 5261 1 534 . 1 1 53 53 ILE HG13 H 1 1.257 0.03 . 2 . . . . . . . . 5261 1 535 . 1 1 53 53 ILE HG12 H 1 1.233 0.03 . 2 . . . . . . . . 5261 1 536 . 1 1 53 53 ILE CD1 C 13 13.667 0.05 . 1 . . . . . . . . 5261 1 537 . 1 1 53 53 ILE HD11 H 1 0.995 0.03 . 1 . . . . . . . . 5261 1 538 . 1 1 53 53 ILE HD12 H 1 0.995 0.03 . 1 . . . . . . . . 5261 1 539 . 1 1 53 53 ILE HD13 H 1 0.995 0.03 . 1 . . . . . . . . 5261 1 540 . 1 1 53 53 ILE CG2 C 13 17.219 0.05 . 1 . . . . . . . . 5261 1 541 . 1 1 53 53 ILE HG21 H 1 0.901 0.03 . 1 . . . . . . . . 5261 1 542 . 1 1 53 53 ILE HG22 H 1 0.901 0.03 . 1 . . . . . . . . 5261 1 543 . 1 1 53 53 ILE HG23 H 1 0.901 0.03 . 1 . . . . . . . . 5261 1 544 . 1 1 53 53 ILE C C 13 177.005 0.05 . 1 . . . . . . . . 5261 1 545 . 1 1 54 54 VAL N N 15 119.512 0.05 . 1 . . . . . . . . 5261 1 546 . 1 1 54 54 VAL H H 1 7.390 0.03 . 1 . . . . . . . . 5261 1 547 . 1 1 54 54 VAL CA C 13 66.761 0.05 . 1 . . . . . . . . 5261 1 548 . 1 1 54 54 VAL HA H 1 3.043 0.03 . 1 . . . . . . . . 5261 1 549 . 1 1 54 54 VAL CB C 13 31.255 0.05 . 1 . . . . . . . . 5261 1 550 . 1 1 54 54 VAL HB H 1 1.721 0.03 . 1 . . . . . . . . 5261 1 551 . 1 1 54 54 VAL CG2 C 13 22.624 0.05 . 2 . . . . . . . . 5261 1 552 . 1 1 54 54 VAL HG21 H 1 0.427 0.03 . 2 . . . . . . . . 5261 1 553 . 1 1 54 54 VAL HG22 H 1 0.427 0.03 . 2 . . . . . . . . 5261 1 554 . 1 1 54 54 VAL HG23 H 1 0.427 0.03 . 2 . . . . . . . . 5261 1 555 . 1 1 54 54 VAL CG1 C 13 21.604 0.05 . 2 . . . . . . . . 5261 1 556 . 1 1 54 54 VAL HG11 H 1 0.431 0.03 . 2 . . . . . . . . 5261 1 557 . 1 1 54 54 VAL HG12 H 1 0.431 0.03 . 2 . . . . . . . . 5261 1 558 . 1 1 54 54 VAL HG13 H 1 0.431 0.03 . 2 . . . . . . . . 5261 1 559 . 1 1 54 54 VAL C C 13 179.122 0.05 . 1 . . . . . . . . 5261 1 560 . 1 1 55 55 LEU N N 15 120.065 0.05 . 1 . . . . . . . . 5261 1 561 . 1 1 55 55 LEU H H 1 8.190 0.03 . 1 . . . . . . . . 5261 1 562 . 1 1 55 55 LEU CA C 13 58.743 0.05 . 1 . . . . . . . . 5261 1 563 . 1 1 55 55 LEU HA H 1 3.610 0.03 . 1 . . . . . . . . 5261 1 564 . 1 1 55 55 LEU CB C 13 40.125 0.05 . 1 . . . . . . . . 5261 1 565 . 1 1 55 55 LEU HB3 H 1 1.350 0.03 . 2 . . . . . . . . 5261 1 566 . 1 1 55 55 LEU HB2 H 1 1.588 0.03 . 2 . . . . . . . . 5261 1 567 . 1 1 55 55 LEU CG C 13 26.454 0.05 . 1 . . . . . . . . 5261 1 568 . 1 1 55 55 LEU HG H 1 1.514 0.03 . 1 . . . . . . . . 5261 1 569 . 1 1 55 55 LEU CD1 C 13 22.527 0.05 . 2 . . . . . . . . 5261 1 570 . 1 1 55 55 LEU HD11 H 1 0.594 0.03 . 2 . . . . . . . . 5261 1 571 . 1 1 55 55 LEU HD12 H 1 0.594 0.03 . 2 . . . . . . . . 5261 1 572 . 1 1 55 55 LEU HD13 H 1 0.594 0.03 . 2 . . . . . . . . 5261 1 573 . 1 1 55 55 LEU CD2 C 13 24.994 0.05 . 2 . . . . . . . . 5261 1 574 . 1 1 55 55 LEU HD21 H 1 0.557 0.03 . 2 . . . . . . . . 5261 1 575 . 1 1 55 55 LEU HD22 H 1 0.557 0.03 . 2 . . . . . . . . 5261 1 576 . 1 1 55 55 LEU HD23 H 1 0.557 0.03 . 2 . . . . . . . . 5261 1 577 . 1 1 55 55 LEU C C 13 178.706 0.05 . 1 . . . . . . . . 5261 1 578 . 1 1 56 56 GLN N N 15 117.664 0.05 . 1 . . . . . . . . 5261 1 579 . 1 1 56 56 GLN H H 1 7.653 0.03 . 1 . . . . . . . . 5261 1 580 . 1 1 56 56 GLN CA C 13 58.724 0.05 . 1 . . . . . . . . 5261 1 581 . 1 1 56 56 GLN HA H 1 3.854 0.03 . 1 . . . . . . . . 5261 1 582 . 1 1 56 56 GLN CB C 13 28.636 0.05 . 1 . . . . . . . . 5261 1 583 . 1 1 56 56 GLN HB3 H 1 2.000 0.03 . 2 . . . . . . . . 5261 1 584 . 1 1 56 56 GLN HB2 H 1 1.922 0.03 . 2 . . . . . . . . 5261 1 585 . 1 1 56 56 GLN CG C 13 33.603 0.05 . 1 . . . . . . . . 5261 1 586 . 1 1 56 56 GLN HG3 H 1 2.307 0.03 . 2 . . . . . . . . 5261 1 587 . 1 1 56 56 GLN HG2 H 1 2.172 0.03 . 2 . . . . . . . . 5261 1 588 . 1 1 56 56 GLN NE2 N 15 110.890 0.05 . 1 . . . . . . . . 5261 1 589 . 1 1 56 56 GLN HE21 H 1 7.272 0.03 . 2 . . . . . . . . 5261 1 590 . 1 1 56 56 GLN HE22 H 1 6.585 0.03 . 2 . . . . . . . . 5261 1 591 . 1 1 56 56 GLN C C 13 179.010 0.05 . 1 . . . . . . . . 5261 1 592 . 1 1 57 57 GLN N N 15 114.899 0.05 . 1 . . . . . . . . 5261 1 593 . 1 1 57 57 GLN H H 1 7.813 0.03 . 1 . . . . . . . . 5261 1 594 . 1 1 57 57 GLN CA C 13 56.566 0.05 . 1 . . . . . . . . 5261 1 595 . 1 1 57 57 GLN HA H 1 5.610 0.03 . 1 . . . . . . . . 5261 1 596 . 1 1 57 57 GLN CB C 13 26.927 0.05 . 1 . . . . . . . . 5261 1 597 . 1 1 57 57 GLN HB3 H 1 0.279 0.03 . 1 . . . . . . . . 5261 1 598 . 1 1 57 57 GLN HB2 H 1 0.279 0.03 . 1 . . . . . . . . 5261 1 599 . 1 1 57 57 GLN CG C 13 32.819 0.05 . 1 . . . . . . . . 5261 1 600 . 1 1 57 57 GLN HG3 H 1 1.696 0.03 . 2 . . . . . . . . 5261 1 601 . 1 1 57 57 GLN HG2 H 1 0.971 0.03 . 2 . . . . . . . . 5261 1 602 . 1 1 57 57 GLN NE2 N 15 109.577 0.05 . 1 . . . . . . . . 5261 1 603 . 1 1 57 57 GLN HE21 H 1 6.524 0.03 . 2 . . . . . . . . 5261 1 604 . 1 1 57 57 GLN C C 13 177.223 0.05 . 1 . . . . . . . . 5261 1 605 . 1 1 58 58 THR N N 15 105.547 0.05 . 1 . . . . . . . . 5261 1 606 . 1 1 58 58 THR H H 1 7.285 0.03 . 1 . . . . . . . . 5261 1 607 . 1 1 58 58 THR CA C 13 62.061 0.05 . 1 . . . . . . . . 5261 1 608 . 1 1 58 58 THR HA H 1 4.216 0.03 . 1 . . . . . . . . 5261 1 609 . 1 1 58 58 THR CB C 13 70.797 0.05 . 1 . . . . . . . . 5261 1 610 . 1 1 58 58 THR HB H 1 4.163 0.03 . 1 . . . . . . . . 5261 1 611 . 1 1 58 58 THR CG2 C 13 20.897 0.05 . 1 . . . . . . . . 5261 1 612 . 1 1 58 58 THR HG21 H 1 0.502 0.03 . 1 . . . . . . . . 5261 1 613 . 1 1 58 58 THR HG22 H 1 0.502 0.03 . 1 . . . . . . . . 5261 1 614 . 1 1 58 58 THR HG23 H 1 0.502 0.03 . 1 . . . . . . . . 5261 1 615 . 1 1 58 58 THR C C 13 175.935 0.05 . 1 . . . . . . . . 5261 1 616 . 1 1 59 59 GLY N N 15 109.994 0.05 . 1 . . . . . . . . 5261 1 617 . 1 1 59 59 GLY H H 1 7.619 0.03 . 1 . . . . . . . . 5261 1 618 . 1 1 59 59 GLY CA C 13 46.189 0.05 . 1 . . . . . . . . 5261 1 619 . 1 1 59 59 GLY HA3 H 1 3.916 0.03 . 2 . . . . . . . . 5261 1 620 . 1 1 59 59 GLY HA2 H 1 3.751 0.03 . 2 . . . . . . . . 5261 1 621 . 1 1 59 59 GLY C C 13 174.637 0.05 . 1 . . . . . . . . 5261 1 622 . 1 1 60 60 HIS N N 15 117.703 0.05 . 1 . . . . . . . . 5261 1 623 . 1 1 60 60 HIS H H 1 7.589 0.03 . 1 . . . . . . . . 5261 1 624 . 1 1 60 60 HIS CA C 13 57.019 0.05 . 1 . . . . . . . . 5261 1 625 . 1 1 60 60 HIS HA H 1 4.490 0.03 . 1 . . . . . . . . 5261 1 626 . 1 1 60 60 HIS CB C 13 32.013 0.05 . 1 . . . . . . . . 5261 1 627 . 1 1 60 60 HIS HB3 H 1 3.127 0.03 . 2 . . . . . . . . 5261 1 628 . 1 1 60 60 HIS HB2 H 1 2.666 0.03 . 2 . . . . . . . . 5261 1 629 . 1 1 60 60 HIS C C 13 174.361 0.05 . 1 . . . . . . . . 5261 1 630 . 1 1 61 61 GLY N N 15 106.908 0.05 . 1 . . . . . . . . 5261 1 631 . 1 1 61 61 GLY H H 1 8.566 0.03 . 1 . . . . . . . . 5261 1 632 . 1 1 61 61 GLY CA C 13 44.677 0.05 . 1 . . . . . . . . 5261 1 633 . 1 1 61 61 GLY HA3 H 1 4.144 0.03 . 2 . . . . . . . . 5261 1 634 . 1 1 61 61 GLY HA2 H 1 3.911 0.03 . 2 . . . . . . . . 5261 1 635 . 1 1 61 61 GLY C C 13 174.619 0.05 . 1 . . . . . . . . 5261 1 636 . 1 1 62 62 GLN N N 15 118.048 0.05 . 1 . . . . . . . . 5261 1 637 . 1 1 62 62 GLN H H 1 8.482 0.03 . 1 . . . . . . . . 5261 1 638 . 1 1 62 62 GLN CA C 13 57.975 0.05 . 1 . . . . . . . . 5261 1 639 . 1 1 62 62 GLN HA H 1 3.964 0.03 . 1 . . . . . . . . 5261 1 640 . 1 1 62 62 GLN CB C 13 28.636 0.05 . 1 . . . . . . . . 5261 1 641 . 1 1 62 62 GLN HB3 H 1 2.052 0.03 . 2 . . . . . . . . 5261 1 642 . 1 1 62 62 GLN HB2 H 1 2.000 0.03 . 2 . . . . . . . . 5261 1 643 . 1 1 62 62 GLN CG C 13 33.670 0.05 . 1 . . . . . . . . 5261 1 644 . 1 1 62 62 GLN HG3 H 1 2.349 0.03 . 1 . . . . . . . . 5261 1 645 . 1 1 62 62 GLN HG2 H 1 2.349 0.03 . 1 . . . . . . . . 5261 1 646 . 1 1 62 62 GLN NE2 N 15 112.214 0.05 . 1 . . . . . . . . 5261 1 647 . 1 1 62 62 GLN HE21 H 1 7.573 0.03 . 2 . . . . . . . . 5261 1 648 . 1 1 62 62 GLN HE22 H 1 6.750 0.03 . 2 . . . . . . . . 5261 1 649 . 1 1 62 62 GLN C C 13 175.760 0.05 . 1 . . . . . . . . 5261 1 650 . 1 1 63 63 ASP N N 15 115.917 0.05 . 1 . . . . . . . . 5261 1 651 . 1 1 63 63 ASP H H 1 8.566 0.03 . 1 . . . . . . . . 5261 1 652 . 1 1 63 63 ASP CA C 13 53.487 0.05 . 1 . . . . . . . . 5261 1 653 . 1 1 63 63 ASP HA H 1 4.609 0.03 . 1 . . . . . . . . 5261 1 654 . 1 1 63 63 ASP CB C 13 40.370 0.05 . 1 . . . . . . . . 5261 1 655 . 1 1 63 63 ASP HB3 H 1 2.719 0.03 . 1 . . . . . . . . 5261 1 656 . 1 1 63 63 ASP HB2 H 1 2.719 0.03 . 1 . . . . . . . . 5261 1 657 . 1 1 63 63 ASP C C 13 175.835 0.05 . 1 . . . . . . . . 5261 1 658 . 1 1 64 64 ALA N N 15 124.974 0.05 . 1 . . . . . . . . 5261 1 659 . 1 1 64 64 ALA H H 1 7.339 0.03 . 1 . . . . . . . . 5261 1 660 . 1 1 64 64 ALA CA C 13 50.789 0.05 . 1 . . . . . . . . 5261 1 661 . 1 1 64 64 ALA HA H 1 4.608 0.03 . 1 . . . . . . . . 5261 1 662 . 1 1 64 64 ALA CB C 13 18.240 0.05 . 1 . . . . . . . . 5261 1 663 . 1 1 64 64 ALA HB1 H 1 1.449 0.03 . 1 . . . . . . . . 5261 1 664 . 1 1 64 64 ALA HB2 H 1 1.449 0.03 . 1 . . . . . . . . 5261 1 665 . 1 1 64 64 ALA HB3 H 1 1.449 0.03 . 1 . . . . . . . . 5261 1 666 . 1 1 65 65 PRO CA C 13 63.390 0.05 . 1 . . . . . . . . 5261 1 667 . 1 1 65 65 PRO HA H 1 4.462 0.03 . 1 . . . . . . . . 5261 1 668 . 1 1 65 65 PRO CB C 13 31.883 0.05 . 1 . . . . . . . . 5261 1 669 . 1 1 65 65 PRO HB3 H 1 2.274 0.03 . 1 . . . . . . . . 5261 1 670 . 1 1 65 65 PRO HB2 H 1 2.274 0.03 . 1 . . . . . . . . 5261 1 671 . 1 1 65 65 PRO CG C 13 27.986 0.05 . 1 . . . . . . . . 5261 1 672 . 1 1 65 65 PRO HG3 H 1 2.022 0.03 . 2 . . . . . . . . 5261 1 673 . 1 1 65 65 PRO HG2 H 1 1.971 0.03 . 2 . . . . . . . . 5261 1 674 . 1 1 65 65 PRO CD C 13 50.797 0.05 . 1 . . . . . . . . 5261 1 675 . 1 1 65 65 PRO HD3 H 1 4.084 0.03 . 2 . . . . . . . . 5261 1 676 . 1 1 65 65 PRO HD2 H 1 3.482 0.03 . 2 . . . . . . . . 5261 1 677 . 1 1 65 65 PRO C C 13 175.367 0.05 . 1 . . . . . . . . 5261 1 678 . 1 1 66 66 PHE N N 15 120.131 0.05 . 1 . . . . . . . . 5261 1 679 . 1 1 66 66 PHE H H 1 8.062 0.03 . 1 . . . . . . . . 5261 1 680 . 1 1 66 66 PHE CA C 13 56.138 0.05 . 1 . . . . . . . . 5261 1 681 . 1 1 66 66 PHE HA H 1 5.616 0.03 . 1 . . . . . . . . 5261 1 682 . 1 1 66 66 PHE CB C 13 43.058 0.05 . 1 . . . . . . . . 5261 1 683 . 1 1 66 66 PHE HB3 H 1 2.930 0.03 . 2 . . . . . . . . 5261 1 684 . 1 1 66 66 PHE HB2 H 1 2.771 0.03 . 2 . . . . . . . . 5261 1 685 . 1 1 66 66 PHE CD1 C 13 131.764 0.05 . 1 . . . . . . . . 5261 1 686 . 1 1 66 66 PHE HD1 H 1 6.996 0.03 . 1 . . . . . . . . 5261 1 687 . 1 1 66 66 PHE CE1 C 13 131.000 0.05 . 1 . . . . . . . . 5261 1 688 . 1 1 66 66 PHE HE1 H 1 7.065 0.03 . 1 . . . . . . . . 5261 1 689 . 1 1 66 66 PHE CE2 C 13 131.000 0.05 . 1 . . . . . . . . 5261 1 690 . 1 1 66 66 PHE HE2 H 1 7.065 0.03 . 1 . . . . . . . . 5261 1 691 . 1 1 66 66 PHE CD2 C 13 131.764 0.05 . 1 . . . . . . . . 5261 1 692 . 1 1 66 66 PHE HD2 H 1 6.996 0.03 . 1 . . . . . . . . 5261 1 693 . 1 1 66 66 PHE C C 13 173.569 0.05 . 1 . . . . . . . . 5261 1 694 . 1 1 67 67 LYS N N 15 123.323 0.05 . 1 . . . . . . . . 5261 1 695 . 1 1 67 67 LYS H H 1 8.362 0.03 . 1 . . . . . . . . 5261 1 696 . 1 1 67 67 LYS CA C 13 55.007 0.05 . 1 . . . . . . . . 5261 1 697 . 1 1 67 67 LYS HA H 1 4.392 0.03 . 1 . . . . . . . . 5261 1 698 . 1 1 67 67 LYS CB C 13 37.230 0.05 . 1 . . . . . . . . 5261 1 699 . 1 1 67 67 LYS HB3 H 1 1.636 0.03 . 1 . . . . . . . . 5261 1 700 . 1 1 67 67 LYS HB2 H 1 1.636 0.03 . 1 . . . . . . . . 5261 1 701 . 1 1 67 67 LYS CG C 13 24.931 0.05 . 1 . . . . . . . . 5261 1 702 . 1 1 67 67 LYS HG3 H 1 1.299 0.03 . 1 . . . . . . . . 5261 1 703 . 1 1 67 67 LYS HG2 H 1 1.299 0.03 . 1 . . . . . . . . 5261 1 704 . 1 1 67 67 LYS CD C 13 29.133 0.05 . 1 . . . . . . . . 5261 1 705 . 1 1 67 67 LYS CE C 13 42.151 0.05 . 1 . . . . . . . . 5261 1 706 . 1 1 67 67 LYS HE3 H 1 2.927 0.03 . 1 . . . . . . . . 5261 1 707 . 1 1 67 67 LYS HE2 H 1 2.927 0.03 . 1 . . . . . . . . 5261 1 708 . 1 1 67 67 LYS C C 13 173.422 0.05 . 1 . . . . . . . . 5261 1 709 . 1 1 68 68 VAL N N 15 124.597 0.05 . 1 . . . . . . . . 5261 1 710 . 1 1 68 68 VAL H H 1 8.241 0.03 . 1 . . . . . . . . 5261 1 711 . 1 1 68 68 VAL CA C 13 60.808 0.05 . 1 . . . . . . . . 5261 1 712 . 1 1 68 68 VAL HA H 1 4.737 0.03 . 1 . . . . . . . . 5261 1 713 . 1 1 68 68 VAL CB C 13 32.864 0.05 . 1 . . . . . . . . 5261 1 714 . 1 1 68 68 VAL HB H 1 1.686 0.03 . 1 . . . . . . . . 5261 1 715 . 1 1 68 68 VAL CG2 C 13 20.827 0.05 . 2 . . . . . . . . 5261 1 716 . 1 1 68 68 VAL HG21 H 1 0.579 0.03 . 2 . . . . . . . . 5261 1 717 . 1 1 68 68 VAL HG22 H 1 0.579 0.03 . 2 . . . . . . . . 5261 1 718 . 1 1 68 68 VAL HG23 H 1 0.579 0.03 . 2 . . . . . . . . 5261 1 719 . 1 1 68 68 VAL CG1 C 13 21.270 0.05 . 2 . . . . . . . . 5261 1 720 . 1 1 68 68 VAL HG11 H 1 0.463 0.03 . 2 . . . . . . . . 5261 1 721 . 1 1 68 68 VAL HG12 H 1 0.463 0.03 . 2 . . . . . . . . 5261 1 722 . 1 1 68 68 VAL HG13 H 1 0.463 0.03 . 2 . . . . . . . . 5261 1 723 . 1 1 68 68 VAL C C 13 176.021 0.05 . 1 . . . . . . . . 5261 1 724 . 1 1 69 69 VAL N N 15 124.456 0.05 . 1 . . . . . . . . 5261 1 725 . 1 1 69 69 VAL H H 1 9.219 0.03 . 1 . . . . . . . . 5261 1 726 . 1 1 69 69 VAL CA C 13 59.482 0.05 . 1 . . . . . . . . 5261 1 727 . 1 1 69 69 VAL HA H 1 4.597 0.03 . 1 . . . . . . . . 5261 1 728 . 1 1 69 69 VAL CB C 13 35.730 0.05 . 1 . . . . . . . . 5261 1 729 . 1 1 69 69 VAL HB H 1 1.990 0.03 . 1 . . . . . . . . 5261 1 730 . 1 1 69 69 VAL CG2 C 13 21.724 0.05 . 2 . . . . . . . . 5261 1 731 . 1 1 69 69 VAL HG21 H 1 0.970 0.03 . 2 . . . . . . . . 5261 1 732 . 1 1 69 69 VAL HG22 H 1 0.970 0.03 . 2 . . . . . . . . 5261 1 733 . 1 1 69 69 VAL HG23 H 1 0.970 0.03 . 2 . . . . . . . . 5261 1 734 . 1 1 69 69 VAL CG1 C 13 20.030 0.05 . 2 . . . . . . . . 5261 1 735 . 1 1 69 69 VAL HG11 H 1 0.784 0.03 . 2 . . . . . . . . 5261 1 736 . 1 1 69 69 VAL HG12 H 1 0.784 0.03 . 2 . . . . . . . . 5261 1 737 . 1 1 69 69 VAL HG13 H 1 0.784 0.03 . 2 . . . . . . . . 5261 1 738 . 1 1 69 69 VAL C C 13 173.613 0.05 . 1 . . . . . . . . 5261 1 739 . 1 1 70 70 ASP N N 15 121.722 0.05 . 1 . . . . . . . . 5261 1 740 . 1 1 70 70 ASP H H 1 8.188 0.03 . 1 . . . . . . . . 5261 1 741 . 1 1 70 70 ASP CA C 13 53.717 0.05 . 1 . . . . . . . . 5261 1 742 . 1 1 70 70 ASP HA H 1 4.890 0.03 . 1 . . . . . . . . 5261 1 743 . 1 1 70 70 ASP CB C 13 42.839 0.05 . 1 . . . . . . . . 5261 1 744 . 1 1 70 70 ASP HB3 H 1 2.920 0.03 . 2 . . . . . . . . 5261 1 745 . 1 1 70 70 ASP HB2 H 1 2.692 0.03 . 2 . . . . . . . . 5261 1 746 . 1 1 70 70 ASP C C 13 177.034 0.05 . 1 . . . . . . . . 5261 1 747 . 1 1 71 71 ILE N N 15 121.132 0.05 . 1 . . . . . . . . 5261 1 748 . 1 1 71 71 ILE H H 1 9.085 0.03 . 1 . . . . . . . . 5261 1 749 . 1 1 71 71 ILE CA C 13 64.693 0.05 . 1 . . . . . . . . 5261 1 750 . 1 1 71 71 ILE HA H 1 4.081 0.03 . 1 . . . . . . . . 5261 1 751 . 1 1 71 71 ILE CB C 13 38.983 0.05 . 1 . . . . . . . . 5261 1 752 . 1 1 71 71 ILE HB H 1 1.682 0.03 . 1 . . . . . . . . 5261 1 753 . 1 1 71 71 ILE CG1 C 13 28.985 0.05 . 1 . . . . . . . . 5261 1 754 . 1 1 71 71 ILE HG13 H 1 1.547 0.03 . 2 . . . . . . . . 5261 1 755 . 1 1 71 71 ILE HG12 H 1 1.368 0.03 . 2 . . . . . . . . 5261 1 756 . 1 1 71 71 ILE CD1 C 13 15.843 0.05 . 1 . . . . . . . . 5261 1 757 . 1 1 71 71 ILE HD11 H 1 0.814 0.03 . 1 . . . . . . . . 5261 1 758 . 1 1 71 71 ILE HD12 H 1 0.814 0.03 . 1 . . . . . . . . 5261 1 759 . 1 1 71 71 ILE HD13 H 1 0.814 0.03 . 1 . . . . . . . . 5261 1 760 . 1 1 71 71 ILE CG2 C 13 17.110 0.05 . 1 . . . . . . . . 5261 1 761 . 1 1 71 71 ILE HG21 H 1 1.025 0.03 . 1 . . . . . . . . 5261 1 762 . 1 1 71 71 ILE HG22 H 1 1.025 0.03 . 1 . . . . . . . . 5261 1 763 . 1 1 71 71 ILE HG23 H 1 1.025 0.03 . 1 . . . . . . . . 5261 1 764 . 1 1 71 71 ILE C C 13 175.691 0.05 . 1 . . . . . . . . 5261 1 765 . 1 1 72 72 ASP N N 15 122.090 0.05 . 1 . . . . . . . . 5261 1 766 . 1 1 72 72 ASP H H 1 7.875 0.03 . 1 . . . . . . . . 5261 1 767 . 1 1 72 72 ASP CA C 13 58.199 0.05 . 1 . . . . . . . . 5261 1 768 . 1 1 72 72 ASP HA H 1 4.465 0.03 . 1 . . . . . . . . 5261 1 769 . 1 1 72 72 ASP CB C 13 40.379 0.05 . 1 . . . . . . . . 5261 1 770 . 1 1 72 72 ASP HB3 H 1 2.694 0.03 . 2 . . . . . . . . 5261 1 771 . 1 1 72 72 ASP HB2 H 1 2.606 0.03 . 2 . . . . . . . . 5261 1 772 . 1 1 72 72 ASP C C 13 179.455 0.05 . 1 . . . . . . . . 5261 1 773 . 1 1 73 73 SER N N 15 116.543 0.05 . 1 . . . . . . . . 5261 1 774 . 1 1 73 73 SER H H 1 8.480 0.03 . 1 . . . . . . . . 5261 1 775 . 1 1 73 73 SER CA C 13 61.689 0.05 . 1 . . . . . . . . 5261 1 776 . 1 1 73 73 SER HA H 1 4.246 0.03 . 1 . . . . . . . . 5261 1 777 . 1 1 73 73 SER CB C 13 62.297 0.05 . 1 . . . . . . . . 5261 1 778 . 1 1 73 73 SER HB3 H 1 4.017 0.03 . 2 . . . . . . . . 5261 1 779 . 1 1 73 73 SER HB2 H 1 3.977 0.03 . 2 . . . . . . . . 5261 1 780 . 1 1 73 73 SER C C 13 177.896 0.05 . 1 . . . . . . . . 5261 1 781 . 1 1 74 74 PHE N N 15 122.862 0.05 . 1 . . . . . . . . 5261 1 782 . 1 1 74 74 PHE H H 1 8.190 0.03 . 1 . . . . . . . . 5261 1 783 . 1 1 74 74 PHE CA C 13 61.689 0.05 . 1 . . . . . . . . 5261 1 784 . 1 1 74 74 PHE HA H 1 4.246 0.03 . 1 . . . . . . . . 5261 1 785 . 1 1 74 74 PHE CB C 13 40.036 0.05 . 1 . . . . . . . . 5261 1 786 . 1 1 74 74 PHE HB3 H 1 3.029 0.03 . 2 . . . . . . . . 5261 1 787 . 1 1 74 74 PHE HB2 H 1 2.846 0.03 . 2 . . . . . . . . 5261 1 788 . 1 1 74 74 PHE CD1 C 13 131.351 0.05 . 1 . . . . . . . . 5261 1 789 . 1 1 74 74 PHE HD1 H 1 6.534 0.03 . 1 . . . . . . . . 5261 1 790 . 1 1 74 74 PHE CE1 C 13 130.332 0.05 . 1 . . . . . . . . 5261 1 791 . 1 1 74 74 PHE HE1 H 1 6.363 0.03 . 1 . . . . . . . . 5261 1 792 . 1 1 74 74 PHE CE2 C 13 130.332 0.05 . 1 . . . . . . . . 5261 1 793 . 1 1 74 74 PHE HE2 H 1 6.363 0.03 . 1 . . . . . . . . 5261 1 794 . 1 1 74 74 PHE CD2 C 13 131.351 0.05 . 1 . . . . . . . . 5261 1 795 . 1 1 74 74 PHE HD2 H 1 6.534 0.03 . 1 . . . . . . . . 5261 1 796 . 1 1 74 74 PHE C C 13 176.897 0.05 . 1 . . . . . . . . 5261 1 797 . 1 1 75 75 PHE N N 15 112.649 0.05 . 1 . . . . . . . . 5261 1 798 . 1 1 75 75 PHE H H 1 7.758 0.03 . 1 . . . . . . . . 5261 1 799 . 1 1 75 75 PHE CA C 13 60.192 0.05 . 1 . . . . . . . . 5261 1 800 . 1 1 75 75 PHE HA H 1 4.359 0.03 . 1 . . . . . . . . 5261 1 801 . 1 1 75 75 PHE CB C 13 40.044 0.05 . 1 . . . . . . . . 5261 1 802 . 1 1 75 75 PHE HB3 H 1 3.538 0.03 . 2 . . . . . . . . 5261 1 803 . 1 1 75 75 PHE HB2 H 1 3.082 0.03 . 2 . . . . . . . . 5261 1 804 . 1 1 75 75 PHE CD1 C 13 130.393 0.05 . 1 . . . . . . . . 5261 1 805 . 1 1 75 75 PHE HD1 H 1 7.297 0.03 . 1 . . . . . . . . 5261 1 806 . 1 1 75 75 PHE CE1 C 13 130.393 0.05 . 1 . . . . . . . . 5261 1 807 . 1 1 75 75 PHE HE1 H 1 7.297 0.03 . 1 . . . . . . . . 5261 1 808 . 1 1 75 75 PHE CE2 C 13 130.393 0.05 . 1 . . . . . . . . 5261 1 809 . 1 1 75 75 PHE HE2 H 1 7.297 0.03 . 1 . . . . . . . . 5261 1 810 . 1 1 75 75 PHE CD2 C 13 130.393 0.05 . 1 . . . . . . . . 5261 1 811 . 1 1 75 75 PHE HD2 H 1 7.297 0.03 . 1 . . . . . . . . 5261 1 812 . 1 1 75 75 PHE C C 13 176.381 0.05 . 1 . . . . . . . . 5261 1 813 . 1 1 76 76 SER N N 15 116.512 0.05 . 1 . . . . . . . . 5261 1 814 . 1 1 76 76 SER H H 1 7.482 0.03 . 1 . . . . . . . . 5261 1 815 . 1 1 76 76 SER CA C 13 62.535 0.05 . 1 . . . . . . . . 5261 1 816 . 1 1 76 76 SER HA H 1 4.101 0.03 . 1 . . . . . . . . 5261 1 817 . 1 1 76 76 SER CB C 13 68.178 0.05 . 1 . . . . . . . . 5261 1 818 . 1 1 76 76 SER HB3 H 1 3.952 0.03 . 2 . . . . . . . . 5261 1 819 . 1 1 76 76 SER HB2 H 1 4.005 0.03 . 2 . . . . . . . . 5261 1 820 . 1 1 76 76 SER C C 13 176.449 0.05 . 1 . . . . . . . . 5261 1 821 . 1 1 77 77 ARG N N 15 121.820 0.05 . 1 . . . . . . . . 5261 1 822 . 1 1 77 77 ARG H H 1 8.290 0.03 . 1 . . . . . . . . 5261 1 823 . 1 1 77 77 ARG CA C 13 59.100 0.05 . 1 . . . . . . . . 5261 1 824 . 1 1 77 77 ARG HA H 1 4.108 0.03 . 1 . . . . . . . . 5261 1 825 . 1 1 77 77 ARG CB C 13 29.333 0.05 . 1 . . . . . . . . 5261 1 826 . 1 1 77 77 ARG HB3 H 1 1.801 0.03 . 1 . . . . . . . . 5261 1 827 . 1 1 77 77 ARG HB2 H 1 1.801 0.03 . 1 . . . . . . . . 5261 1 828 . 1 1 77 77 ARG CG C 13 26.916 0.05 . 1 . . . . . . . . 5261 1 829 . 1 1 77 77 ARG HG3 H 1 1.556 0.03 . 2 . . . . . . . . 5261 1 830 . 1 1 77 77 ARG HG2 H 1 1.607 0.03 . 2 . . . . . . . . 5261 1 831 . 1 1 77 77 ARG CD C 13 43.420 0.05 . 1 . . . . . . . . 5261 1 832 . 1 1 77 77 ARG HD3 H 1 3.099 0.03 . 1 . . . . . . . . 5261 1 833 . 1 1 77 77 ARG HD2 H 1 3.099 0.03 . 1 . . . . . . . . 5261 1 834 . 1 1 77 77 ARG C C 13 174.923 0.05 . 1 . . . . . . . . 5261 1 835 . 1 1 78 78 ALA N N 15 121.202 0.05 . 1 . . . . . . . . 5261 1 836 . 1 1 78 78 ALA H H 1 7.999 0.03 . 1 . . . . . . . . 5261 1 837 . 1 1 78 78 ALA CA C 13 53.173 0.05 . 1 . . . . . . . . 5261 1 838 . 1 1 78 78 ALA HA H 1 4.005 0.03 . 1 . . . . . . . . 5261 1 839 . 1 1 78 78 ALA CB C 13 18.284 0.05 . 1 . . . . . . . . 5261 1 840 . 1 1 78 78 ALA HB1 H 1 0.660 0.03 . 1 . . . . . . . . 5261 1 841 . 1 1 78 78 ALA HB2 H 1 0.660 0.03 . 1 . . . . . . . . 5261 1 842 . 1 1 78 78 ALA HB3 H 1 0.660 0.03 . 1 . . . . . . . . 5261 1 843 . 1 1 78 78 ALA C C 13 177.646 0.05 . 1 . . . . . . . . 5261 1 844 . 1 1 79 79 THR N N 15 131.316 0.05 . 1 . . . . . . . . 5261 1 845 . 1 1 79 79 THR H H 1 7.659 0.03 . 1 . . . . . . . . 5261 1 846 . 1 1 79 79 THR CA C 13 61.413 0.05 . 1 . . . . . . . . 5261 1 847 . 1 1 79 79 THR HA H 1 4.683 0.03 . 1 . . . . . . . . 5261 1 848 . 1 1 79 79 THR CB C 13 69.534 0.05 . 1 . . . . . . . . 5261 1 849 . 1 1 79 79 THR HB H 1 4.464 0.03 . 1 . . . . . . . . 5261 1 850 . 1 1 79 79 THR CG2 C 13 21.975 0.05 . 1 . . . . . . . . 5261 1 851 . 1 1 79 79 THR HG21 H 1 1.282 0.03 . 1 . . . . . . . . 5261 1 852 . 1 1 79 79 THR HG22 H 1 1.282 0.03 . 1 . . . . . . . . 5261 1 853 . 1 1 79 79 THR HG23 H 1 1.282 0.03 . 1 . . . . . . . . 5261 1 854 . 1 1 79 79 THR C C 13 174.014 0.05 . 1 . . . . . . . . 5261 1 855 . 1 1 80 80 THR N N 15 119.623 0.05 . 1 . . . . . . . . 5261 1 856 . 1 1 80 80 THR H H 1 7.252 0.03 . 1 . . . . . . . . 5261 1 857 . 1 1 80 80 THR CA C 13 59.956 0.05 . 1 . . . . . . . . 5261 1 858 . 1 1 80 80 THR CB C 13 70.683 0.05 . 1 . . . . . . . . 5261 1 859 . 1 1 81 81 PRO CA C 13 62.467 0.05 . 1 . . . . . . . . 5261 1 860 . 1 1 81 81 PRO HA H 1 4.352 0.03 . 1 . . . . . . . . 5261 1 861 . 1 1 81 81 PRO CB C 13 32.274 0.05 . 1 . . . . . . . . 5261 1 862 . 1 1 81 81 PRO HB3 H 1 2.275 0.03 . 1 . . . . . . . . 5261 1 863 . 1 1 81 81 PRO HB2 H 1 2.275 0.03 . 1 . . . . . . . . 5261 1 864 . 1 1 81 81 PRO CG C 13 26.901 0.05 . 1 . . . . . . . . 5261 1 865 . 1 1 81 81 PRO HG3 H 1 1.949 0.03 . 2 . . . . . . . . 5261 1 866 . 1 1 81 81 PRO HG2 H 1 1.794 0.03 . 2 . . . . . . . . 5261 1 867 . 1 1 81 81 PRO CD C 13 51.097 0.05 . 1 . . . . . . . . 5261 1 868 . 1 1 81 81 PRO HD3 H 1 3.781 0.03 . 2 . . . . . . . . 5261 1 869 . 1 1 81 81 PRO HD2 H 1 3.904 0.03 . 2 . . . . . . . . 5261 1 870 . 1 1 81 81 PRO C C 13 174.966 0.05 . 1 . . . . . . . . 5261 1 871 . 1 1 82 82 GLN N N 15 114.457 0.05 . 1 . . . . . . . . 5261 1 872 . 1 1 82 82 GLN H H 1 5.181 0.03 . 1 . . . . . . . . 5261 1 873 . 1 1 82 82 GLN CA C 13 52.798 0.05 . 1 . . . . . . . . 5261 1 874 . 1 1 82 82 GLN HA H 1 4.191 0.03 . 1 . . . . . . . . 5261 1 875 . 1 1 82 82 GLN CB C 13 29.007 0.05 . 1 . . . . . . . . 5261 1 876 . 1 1 82 82 GLN HB3 H 1 0.696 0.03 . 2 . . . . . . . . 5261 1 877 . 1 1 82 82 GLN HB2 H 1 -0.467 0.03 . 2 . . . . . . . . 5261 1 878 . 1 1 82 82 GLN CG C 13 32.633 0.05 . 1 . . . . . . . . 5261 1 879 . 1 1 82 82 GLN HG3 H 1 1.719 0.03 . 2 . . . . . . . . 5261 1 880 . 1 1 82 82 GLN HG2 H 1 1.793 0.03 . 2 . . . . . . . . 5261 1 881 . 1 1 82 82 GLN NE2 N 15 111.344 0.05 . 1 . . . . . . . . 5261 1 882 . 1 1 82 82 GLN HE21 H 1 7.184 0.03 . 2 . . . . . . . . 5261 1 883 . 1 1 82 82 GLN HE22 H 1 6.738 0.03 . 2 . . . . . . . . 5261 1 884 . 1 1 82 82 GLN C C 13 177.436 0.05 . 1 . . . . . . . . 5261 1 885 . 1 1 83 83 ASP N N 15 121.179 0.05 . 1 . . . . . . . . 5261 1 886 . 1 1 83 83 ASP H H 1 8.816 0.03 . 1 . . . . . . . . 5261 1 887 . 1 1 83 83 ASP CA C 13 56.817 0.05 . 1 . . . . . . . . 5261 1 888 . 1 1 83 83 ASP HA H 1 4.168 0.03 . 1 . . . . . . . . 5261 1 889 . 1 1 83 83 ASP CB C 13 40.497 0.05 . 1 . . . . . . . . 5261 1 890 . 1 1 83 83 ASP HB3 H 1 2.685 0.03 . 1 . . . . . . . . 5261 1 891 . 1 1 83 83 ASP HB2 H 1 2.685 0.03 . 1 . . . . . . . . 5261 1 892 . 1 1 83 83 ASP C C 13 175.932 0.05 . 1 . . . . . . . . 5261 1 893 . 1 1 84 84 TRP N N 15 112.669 0.05 . 1 . . . . . . . . 5261 1 894 . 1 1 84 84 TRP H H 1 6.704 0.03 . 1 . . . . . . . . 5261 1 895 . 1 1 84 84 TRP CA C 13 55.660 0.05 . 1 . . . . . . . . 5261 1 896 . 1 1 84 84 TRP HA H 1 4.746 0.03 . 1 . . . . . . . . 5261 1 897 . 1 1 84 84 TRP CB C 13 28.427 0.05 . 1 . . . . . . . . 5261 1 898 . 1 1 84 84 TRP HB3 H 1 3.615 0.03 . 2 . . . . . . . . 5261 1 899 . 1 1 84 84 TRP HB2 H 1 3.149 0.03 . 2 . . . . . . . . 5261 1 900 . 1 1 84 84 TRP CD1 C 13 123.988 0.05 . 4 . . . . . . . . 5261 1 901 . 1 1 84 84 TRP HD1 H 1 7.385 0.03 . 1 . . . . . . . . 5261 1 902 . 1 1 84 84 TRP NE1 N 15 131.413 0.05 . 1 . . . . . . . . 5261 1 903 . 1 1 84 84 TRP HE1 H 1 10.340 0.03 . 1 . . . . . . . . 5261 1 904 . 1 1 84 84 TRP CZ2 C 13 114.889 0.05 . 4 . . . . . . . . 5261 1 905 . 1 1 84 84 TRP HZ2 H 1 7.528 0.03 . 4 . . . . . . . . 5261 1 906 . 1 1 84 84 TRP CZ3 C 13 120.922 0.05 . 4 . . . . . . . . 5261 1 907 . 1 1 84 84 TRP HZ3 H 1 7.656 0.03 . 4 . . . . . . . . 5261 1 908 . 1 1 84 84 TRP C C 13 176.408 0.05 . 1 . . . . . . . . 5261 1 909 . 1 1 85 85 TYR N N 15 122.132 0.05 . 1 . . . . . . . . 5261 1 910 . 1 1 85 85 TYR H H 1 6.968 0.03 . 1 . . . . . . . . 5261 1 911 . 1 1 85 85 TYR CA C 13 55.989 0.05 . 1 . . . . . . . . 5261 1 912 . 1 1 85 85 TYR HA H 1 4.329 0.03 . 1 . . . . . . . . 5261 1 913 . 1 1 85 85 TYR CB C 13 37.309 0.05 . 1 . . . . . . . . 5261 1 914 . 1 1 85 85 TYR HB3 H 1 3.150 0.03 . 2 . . . . . . . . 5261 1 915 . 1 1 85 85 TYR HB2 H 1 2.947 0.03 . 2 . . . . . . . . 5261 1 916 . 1 1 85 85 TYR CD1 C 13 130.180 0.05 . 1 . . . . . . . . 5261 1 917 . 1 1 85 85 TYR HD1 H 1 6.460 0.03 . 1 . . . . . . . . 5261 1 918 . 1 1 85 85 TYR CE1 C 13 118.882 0.05 . 1 . . . . . . . . 5261 1 919 . 1 1 85 85 TYR HE1 H 1 6.592 0.03 . 1 . . . . . . . . 5261 1 920 . 1 1 85 85 TYR CE2 C 13 118.882 0.05 . 1 . . . . . . . . 5261 1 921 . 1 1 85 85 TYR HE2 H 1 6.592 0.03 . 1 . . . . . . . . 5261 1 922 . 1 1 85 85 TYR CD2 C 13 130.180 0.05 . 1 . . . . . . . . 5261 1 923 . 1 1 85 85 TYR HD2 H 1 6.460 0.03 . 1 . . . . . . . . 5261 1 924 . 1 1 85 85 TYR C C 13 176.512 0.05 . 1 . . . . . . . . 5261 1 925 . 1 1 86 86 GLU N N 15 121.948 0.05 . 1 . . . . . . . . 5261 1 926 . 1 1 86 86 GLU H H 1 8.690 0.03 . 1 . . . . . . . . 5261 1 927 . 1 1 86 86 GLU CA C 13 54.953 0.05 . 1 . . . . . . . . 5261 1 928 . 1 1 86 86 GLU HA H 1 4.660 0.03 . 1 . . . . . . . . 5261 1 929 . 1 1 86 86 GLU CB C 13 30.660 0.05 . 1 . . . . . . . . 5261 1 930 . 1 1 86 86 GLU HB3 H 1 2.145 0.03 . 2 . . . . . . . . 5261 1 931 . 1 1 86 86 GLU HB2 H 1 2.460 0.03 . 2 . . . . . . . . 5261 1 932 . 1 1 86 86 GLU CG C 13 36.812 0.05 . 1 . . . . . . . . 5261 1 933 . 1 1 86 86 GLU HG3 H 1 2.563 0.03 . 1 . . . . . . . . 5261 1 934 . 1 1 86 86 GLU HG2 H 1 2.563 0.03 . 1 . . . . . . . . 5261 1 935 . 1 1 86 86 GLU C C 13 176.788 0.05 . 1 . . . . . . . . 5261 1 936 . 1 1 87 87 ASP N N 15 120.767 0.05 . 1 . . . . . . . . 5261 1 937 . 1 1 87 87 ASP H H 1 8.541 0.03 . 1 . . . . . . . . 5261 1 938 . 1 1 87 87 ASP CA C 13 58.563 0.05 . 1 . . . . . . . . 5261 1 939 . 1 1 87 87 ASP HA H 1 4.376 0.03 . 1 . . . . . . . . 5261 1 940 . 1 1 87 87 ASP CB C 13 40.485 0.05 . 1 . . . . . . . . 5261 1 941 . 1 1 87 87 ASP HB3 H 1 2.705 0.03 . 1 . . . . . . . . 5261 1 942 . 1 1 87 87 ASP HB2 H 1 2.705 0.03 . 1 . . . . . . . . 5261 1 943 . 1 1 87 87 ASP C C 13 179.012 0.05 . 1 . . . . . . . . 5261 1 944 . 1 1 88 88 GLU N N 15 119.111 0.05 . 1 . . . . . . . . 5261 1 945 . 1 1 88 88 GLU H H 1 9.049 0.03 . 1 . . . . . . . . 5261 1 946 . 1 1 88 88 GLU CA C 13 59.957 0.05 . 1 . . . . . . . . 5261 1 947 . 1 1 88 88 GLU HA H 1 4.078 0.03 . 1 . . . . . . . . 5261 1 948 . 1 1 88 88 GLU CB C 13 29.158 0.05 . 1 . . . . . . . . 5261 1 949 . 1 1 88 88 GLU HB3 H 1 1.965 0.03 . 2 . . . . . . . . 5261 1 950 . 1 1 88 88 GLU HB2 H 1 2.052 0.03 . 2 . . . . . . . . 5261 1 951 . 1 1 88 88 GLU CG C 13 36.519 0.05 . 1 . . . . . . . . 5261 1 952 . 1 1 88 88 GLU HG3 H 1 2.329 0.03 . 1 . . . . . . . . 5261 1 953 . 1 1 88 88 GLU HG2 H 1 2.329 0.03 . 1 . . . . . . . . 5261 1 954 . 1 1 88 88 GLU C C 13 179.012 0.05 . 1 . . . . . . . . 5261 1 955 . 1 1 89 89 GLU N N 15 118.772 0.05 . 1 . . . . . . . . 5261 1 956 . 1 1 89 89 GLU H H 1 7.803 0.03 . 1 . . . . . . . . 5261 1 957 . 1 1 89 89 GLU CA C 13 59.813 0.05 . 1 . . . . . . . . 5261 1 958 . 1 1 89 89 GLU HA H 1 3.889 0.03 . 1 . . . . . . . . 5261 1 959 . 1 1 89 89 GLU CB C 13 28.232 0.05 . 1 . . . . . . . . 5261 1 960 . 1 1 89 89 GLU HB3 H 1 0.794 0.03 . 2 . . . . . . . . 5261 1 961 . 1 1 89 89 GLU HB2 H 1 1.706 0.03 . 2 . . . . . . . . 5261 1 962 . 1 1 89 89 GLU CG C 13 37.214 0.05 . 1 . . . . . . . . 5261 1 963 . 1 1 89 89 GLU HG3 H 1 1.951 0.03 . 1 . . . . . . . . 5261 1 964 . 1 1 89 89 GLU HG2 H 1 1.951 0.03 . 1 . . . . . . . . 5261 1 965 . 1 1 89 89 GLU C C 13 179.956 0.05 . 1 . . . . . . . . 5261 1 966 . 1 1 90 90 ASN N N 15 118.449 0.05 . 1 . . . . . . . . 5261 1 967 . 1 1 90 90 ASN H H 1 8.437 0.03 . 1 . . . . . . . . 5261 1 968 . 1 1 90 90 ASN CA C 13 55.906 0.05 . 1 . . . . . . . . 5261 1 969 . 1 1 90 90 ASN HA H 1 4.695 0.03 . 1 . . . . . . . . 5261 1 970 . 1 1 90 90 ASN CB C 13 38.005 0.05 . 1 . . . . . . . . 5261 1 971 . 1 1 90 90 ASN HB3 H 1 2.715 0.03 . 1 . . . . . . . . 5261 1 972 . 1 1 90 90 ASN HB2 H 1 2.715 0.03 . 1 . . . . . . . . 5261 1 973 . 1 1 90 90 ASN ND2 N 15 111.387 0.05 . 1 . . . . . . . . 5261 1 974 . 1 1 90 90 ASN HD21 H 1 7.300 0.03 . 2 . . . . . . . . 5261 1 975 . 1 1 90 90 ASN HD22 H 1 6.652 0.03 . 2 . . . . . . . . 5261 1 976 . 1 1 90 90 ASN C C 13 178.225 0.05 . 1 . . . . . . . . 5261 1 977 . 1 1 91 91 ALA N N 15 125.000 0.05 . 1 . . . . . . . . 5261 1 978 . 1 1 91 91 ALA H H 1 8.267 0.03 . 1 . . . . . . . . 5261 1 979 . 1 1 91 91 ALA CA C 13 55.040 0.05 . 1 . . . . . . . . 5261 1 980 . 1 1 91 91 ALA HA H 1 4.280 0.03 . 1 . . . . . . . . 5261 1 981 . 1 1 91 91 ALA CB C 13 17.849 0.05 . 1 . . . . . . . . 5261 1 982 . 1 1 91 91 ALA HB1 H 1 1.556 0.03 . 1 . . . . . . . . 5261 1 983 . 1 1 91 91 ALA HB2 H 1 1.556 0.03 . 1 . . . . . . . . 5261 1 984 . 1 1 91 91 ALA HB3 H 1 1.556 0.03 . 1 . . . . . . . . 5261 1 985 . 1 1 91 91 ALA C C 13 180.393 0.05 . 1 . . . . . . . . 5261 1 986 . 1 1 92 92 VAL N N 15 120.564 0.05 . 1 . . . . . . . . 5261 1 987 . 1 1 92 92 VAL H H 1 7.420 0.03 . 1 . . . . . . . . 5261 1 988 . 1 1 92 92 VAL CA C 13 67.272 0.05 . 1 . . . . . . . . 5261 1 989 . 1 1 92 92 VAL HA H 1 3.682 0.03 . 1 . . . . . . . . 5261 1 990 . 1 1 92 92 VAL CB C 13 31.895 0.05 . 1 . . . . . . . . 5261 1 991 . 1 1 92 92 VAL HB H 1 2.370 0.03 . 1 . . . . . . . . 5261 1 992 . 1 1 92 92 VAL CG2 C 13 22.479 0.05 . 2 . . . . . . . . 5261 1 993 . 1 1 92 92 VAL HG21 H 1 1.351 0.03 . 2 . . . . . . . . 5261 1 994 . 1 1 92 92 VAL HG22 H 1 1.351 0.03 . 2 . . . . . . . . 5261 1 995 . 1 1 92 92 VAL HG23 H 1 1.351 0.03 . 2 . . . . . . . . 5261 1 996 . 1 1 92 92 VAL CG1 C 13 23.210 0.05 . 2 . . . . . . . . 5261 1 997 . 1 1 92 92 VAL HG11 H 1 1.179 0.03 . 2 . . . . . . . . 5261 1 998 . 1 1 92 92 VAL HG12 H 1 1.179 0.03 . 2 . . . . . . . . 5261 1 999 . 1 1 92 92 VAL HG13 H 1 1.179 0.03 . 2 . . . . . . . . 5261 1 1000 . 1 1 92 92 VAL C C 13 178.224 0.05 . 1 . . . . . . . . 5261 1 1001 . 1 1 93 93 VAL N N 15 120.988 0.05 . 1 . . . . . . . . 5261 1 1002 . 1 1 93 93 VAL H H 1 7.708 0.03 . 1 . . . . . . . . 5261 1 1003 . 1 1 93 93 VAL CA C 13 66.432 0.05 . 1 . . . . . . . . 5261 1 1004 . 1 1 93 93 VAL HA H 1 4.158 0.03 . 1 . . . . . . . . 5261 1 1005 . 1 1 93 93 VAL CB C 13 31.639 0.05 . 1 . . . . . . . . 5261 1 1006 . 1 1 93 93 VAL HB H 1 2.390 0.03 . 1 . . . . . . . . 5261 1 1007 . 1 1 93 93 VAL CG2 C 13 23.626 0.05 . 2 . . . . . . . . 5261 1 1008 . 1 1 93 93 VAL HG21 H 1 1.181 0.03 . 2 . . . . . . . . 5261 1 1009 . 1 1 93 93 VAL HG22 H 1 1.181 0.03 . 2 . . . . . . . . 5261 1 1010 . 1 1 93 93 VAL HG23 H 1 1.181 0.03 . 2 . . . . . . . . 5261 1 1011 . 1 1 93 93 VAL CG1 C 13 21.822 0.05 . 2 . . . . . . . . 5261 1 1012 . 1 1 93 93 VAL HG11 H 1 0.835 0.03 . 2 . . . . . . . . 5261 1 1013 . 1 1 93 93 VAL HG12 H 1 0.835 0.03 . 2 . . . . . . . . 5261 1 1014 . 1 1 93 93 VAL HG13 H 1 0.835 0.03 . 2 . . . . . . . . 5261 1 1015 . 1 1 93 93 VAL C C 13 178.533 0.05 . 1 . . . . . . . . 5261 1 1016 . 1 1 94 94 ALA N N 15 120.042 0.05 . 1 . . . . . . . . 5261 1 1017 . 1 1 94 94 ALA H H 1 7.813 0.03 . 1 . . . . . . . . 5261 1 1018 . 1 1 94 94 ALA CA C 13 55.083 0.05 . 1 . . . . . . . . 5261 1 1019 . 1 1 94 94 ALA HA H 1 4.212 0.03 . 1 . . . . . . . . 5261 1 1020 . 1 1 94 94 ALA CB C 13 17.849 0.05 . 1 . . . . . . . . 5261 1 1021 . 1 1 94 94 ALA HB1 H 1 1.556 0.03 . 1 . . . . . . . . 5261 1 1022 . 1 1 94 94 ALA HB2 H 1 1.556 0.03 . 1 . . . . . . . . 5261 1 1023 . 1 1 94 94 ALA HB3 H 1 1.556 0.03 . 1 . . . . . . . . 5261 1 1024 . 1 1 94 94 ALA C C 13 181.072 0.05 . 1 . . . . . . . . 5261 1 1025 . 1 1 95 95 LYS N N 15 119.591 0.05 . 1 . . . . . . . . 5261 1 1026 . 1 1 95 95 LYS H H 1 7.903 0.03 . 1 . . . . . . . . 5261 1 1027 . 1 1 95 95 LYS CA C 13 60.137 0.05 . 1 . . . . . . . . 5261 1 1028 . 1 1 95 95 LYS HA H 1 4.052 0.03 . 1 . . . . . . . . 5261 1 1029 . 1 1 95 95 LYS CB C 13 32.969 0.05 . 1 . . . . . . . . 5261 1 1030 . 1 1 95 95 LYS HB3 H 1 2.113 0.03 . 1 . . . . . . . . 5261 1 1031 . 1 1 95 95 LYS HB2 H 1 2.113 0.03 . 1 . . . . . . . . 5261 1 1032 . 1 1 95 95 LYS CG C 13 26.158 0.05 . 1 . . . . . . . . 5261 1 1033 . 1 1 95 95 LYS HG3 H 1 1.809 0.03 . 2 . . . . . . . . 5261 1 1034 . 1 1 95 95 LYS HG2 H 1 1.485 0.03 . 2 . . . . . . . . 5261 1 1035 . 1 1 95 95 LYS CD C 13 29.435 0.05 . 1 . . . . . . . . 5261 1 1036 . 1 1 95 95 LYS HD3 H 1 1.628 0.03 . 1 . . . . . . . . 5261 1 1037 . 1 1 95 95 LYS HD2 H 1 1.628 0.03 . 1 . . . . . . . . 5261 1 1038 . 1 1 95 95 LYS CE C 13 42.228 0.05 . 1 . . . . . . . . 5261 1 1039 . 1 1 95 95 LYS HE3 H 1 2.916 0.03 . 1 . . . . . . . . 5261 1 1040 . 1 1 95 95 LYS HE2 H 1 2.916 0.03 . 1 . . . . . . . . 5261 1 1041 . 1 1 95 95 LYS C C 13 180.535 0.05 . 1 . . . . . . . . 5261 1 1042 . 1 1 96 96 PHE N N 15 121.541 0.05 . 1 . . . . . . . . 5261 1 1043 . 1 1 96 96 PHE H H 1 8.724 0.03 . 1 . . . . . . . . 5261 1 1044 . 1 1 96 96 PHE CA C 13 63.931 0.05 . 1 . . . . . . . . 5261 1 1045 . 1 1 96 96 PHE HA H 1 4.103 0.03 . 1 . . . . . . . . 5261 1 1046 . 1 1 96 96 PHE CB C 13 39.382 0.05 . 1 . . . . . . . . 5261 1 1047 . 1 1 96 96 PHE HB3 H 1 3.329 0.03 . 2 . . . . . . . . 5261 1 1048 . 1 1 96 96 PHE HB2 H 1 2.800 0.03 . 2 . . . . . . . . 5261 1 1049 . 1 1 96 96 PHE CD1 C 13 128.457 0.05 . 1 . . . . . . . . 5261 1 1050 . 1 1 96 96 PHE HD1 H 1 7.456 0.03 . 1 . . . . . . . . 5261 1 1051 . 1 1 96 96 PHE CE1 C 13 131.782 0.05 . 1 . . . . . . . . 5261 1 1052 . 1 1 96 96 PHE HE1 H 1 7.608 0.03 . 1 . . . . . . . . 5261 1 1053 . 1 1 96 96 PHE CE2 C 13 131.782 0.05 . 1 . . . . . . . . 5261 1 1054 . 1 1 96 96 PHE HE2 H 1 7.608 0.03 . 1 . . . . . . . . 5261 1 1055 . 1 1 96 96 PHE CD2 C 13 128.457 0.05 . 1 . . . . . . . . 5261 1 1056 . 1 1 96 96 PHE HD2 H 1 7.456 0.03 . 1 . . . . . . . . 5261 1 1057 . 1 1 96 96 PHE C C 13 178.184 0.05 . 1 . . . . . . . . 5261 1 1058 . 1 1 97 97 GLN N N 15 119.419 0.05 . 1 . . . . . . . . 5261 1 1059 . 1 1 97 97 GLN H H 1 8.814 0.03 . 1 . . . . . . . . 5261 1 1060 . 1 1 97 97 GLN CA C 13 59.556 0.05 . 1 . . . . . . . . 5261 1 1061 . 1 1 97 97 GLN HA H 1 3.955 0.03 . 1 . . . . . . . . 5261 1 1062 . 1 1 97 97 GLN CB C 13 27.551 0.05 . 1 . . . . . . . . 5261 1 1063 . 1 1 97 97 GLN HB3 H 1 2.069 0.03 . 2 . . . . . . . . 5261 1 1064 . 1 1 97 97 GLN HB2 H 1 2.393 0.03 . 2 . . . . . . . . 5261 1 1065 . 1 1 97 97 GLN CG C 13 34.124 0.05 . 1 . . . . . . . . 5261 1 1066 . 1 1 97 97 GLN HG3 H 1 2.710 0.03 . 2 . . . . . . . . 5261 1 1067 . 1 1 97 97 GLN HG2 H 1 2.514 0.03 . 2 . . . . . . . . 5261 1 1068 . 1 1 97 97 GLN NE2 N 15 110.342 0.05 . 1 . . . . . . . . 5261 1 1069 . 1 1 97 97 GLN HE21 H 1 7.511 0.03 . 2 . . . . . . . . 5261 1 1070 . 1 1 97 97 GLN HE22 H 1 6.832 0.03 . 2 . . . . . . . . 5261 1 1071 . 1 1 97 97 GLN C C 13 179.209 0.05 . 1 . . . . . . . . 5261 1 1072 . 1 1 98 98 LYS N N 15 120.464 0.05 . 1 . . . . . . . . 5261 1 1073 . 1 1 98 98 LYS H H 1 7.994 0.03 . 1 . . . . . . . . 5261 1 1074 . 1 1 98 98 LYS CA C 13 58.565 0.05 . 1 . . . . . . . . 5261 1 1075 . 1 1 98 98 LYS HA H 1 4.055 0.03 . 1 . . . . . . . . 5261 1 1076 . 1 1 98 98 LYS CB C 13 31.350 0.05 . 1 . . . . . . . . 5261 1 1077 . 1 1 98 98 LYS HB3 H 1 1.958 0.03 . 2 . . . . . . . . 5261 1 1078 . 1 1 98 98 LYS HB2 H 1 1.915 0.03 . 2 . . . . . . . . 5261 1 1079 . 1 1 98 98 LYS CG C 13 24.706 0.05 . 1 . . . . . . . . 5261 1 1080 . 1 1 98 98 LYS HG3 H 1 1.472 0.03 . 1 . . . . . . . . 5261 1 1081 . 1 1 98 98 LYS HG2 H 1 1.472 0.03 . 1 . . . . . . . . 5261 1 1082 . 1 1 98 98 LYS CD C 13 28.466 0.05 . 1 . . . . . . . . 5261 1 1083 . 1 1 98 98 LYS HD3 H 1 1.703 0.03 . 1 . . . . . . . . 5261 1 1084 . 1 1 98 98 LYS HD2 H 1 1.703 0.03 . 1 . . . . . . . . 5261 1 1085 . 1 1 98 98 LYS CE C 13 42.104 0.05 . 1 . . . . . . . . 5261 1 1086 . 1 1 98 98 LYS HE3 H 1 2.877 0.03 . 1 . . . . . . . . 5261 1 1087 . 1 1 98 98 LYS HE2 H 1 2.877 0.03 . 1 . . . . . . . . 5261 1 1088 . 1 1 98 98 LYS C C 13 177.649 0.05 . 1 . . . . . . . . 5261 1 1089 . 1 1 99 99 LEU N N 15 120.800 0.05 . 1 . . . . . . . . 5261 1 1090 . 1 1 99 99 LEU H H 1 7.886 0.03 . 1 . . . . . . . . 5261 1 1091 . 1 1 99 99 LEU CA C 13 58.239 0.05 . 1 . . . . . . . . 5261 1 1092 . 1 1 99 99 LEU HA H 1 3.750 0.03 . 1 . . . . . . . . 5261 1 1093 . 1 1 99 99 LEU CB C 13 40.440 0.05 . 1 . . . . . . . . 5261 1 1094 . 1 1 99 99 LEU HB3 H 1 1.135 0.03 . 1 . . . . . . . . 5261 1 1095 . 1 1 99 99 LEU HB2 H 1 1.135 0.03 . 1 . . . . . . . . 5261 1 1096 . 1 1 99 99 LEU CG C 13 26.949 0.05 . 1 . . . . . . . . 5261 1 1097 . 1 1 99 99 LEU HG H 1 1.920 0.03 . 1 . . . . . . . . 5261 1 1098 . 1 1 99 99 LEU CD1 C 13 25.794 0.05 . 2 . . . . . . . . 5261 1 1099 . 1 1 99 99 LEU HD11 H 1 0.295 0.03 . 2 . . . . . . . . 5261 1 1100 . 1 1 99 99 LEU HD12 H 1 0.295 0.03 . 2 . . . . . . . . 5261 1 1101 . 1 1 99 99 LEU HD13 H 1 0.295 0.03 . 2 . . . . . . . . 5261 1 1102 . 1 1 99 99 LEU CD2 C 13 22.591 0.05 . 2 . . . . . . . . 5261 1 1103 . 1 1 99 99 LEU HD21 H 1 0.504 0.03 . 2 . . . . . . . . 5261 1 1104 . 1 1 99 99 LEU HD22 H 1 0.504 0.03 . 2 . . . . . . . . 5261 1 1105 . 1 1 99 99 LEU HD23 H 1 0.504 0.03 . 2 . . . . . . . . 5261 1 1106 . 1 1 99 99 LEU C C 13 177.286 0.05 . 1 . . . . . . . . 5261 1 1107 . 1 1 100 100 LEU N N 15 118.967 0.05 . 1 . . . . . . . . 5261 1 1108 . 1 1 100 100 LEU H H 1 7.891 0.03 . 1 . . . . . . . . 5261 1 1109 . 1 1 100 100 LEU CA C 13 58.154 0.05 . 1 . . . . . . . . 5261 1 1110 . 1 1 100 100 LEU HA H 1 3.550 0.03 . 1 . . . . . . . . 5261 1 1111 . 1 1 100 100 LEU CB C 13 41.443 0.05 . 1 . . . . . . . . 5261 1 1112 . 1 1 100 100 LEU HB3 H 1 1.434 0.03 . 2 . . . . . . . . 5261 1 1113 . 1 1 100 100 LEU HB2 H 1 1.787 0.03 . 2 . . . . . . . . 5261 1 1114 . 1 1 100 100 LEU CG C 13 27.400 0.05 . 1 . . . . . . . . 5261 1 1115 . 1 1 100 100 LEU HG H 1 1.205 0.03 . 1 . . . . . . . . 5261 1 1116 . 1 1 100 100 LEU CD1 C 13 25.193 0.05 . 2 . . . . . . . . 5261 1 1117 . 1 1 100 100 LEU HD11 H 1 0.764 0.03 . 2 . . . . . . . . 5261 1 1118 . 1 1 100 100 LEU HD12 H 1 0.764 0.03 . 2 . . . . . . . . 5261 1 1119 . 1 1 100 100 LEU HD13 H 1 0.764 0.03 . 2 . . . . . . . . 5261 1 1120 . 1 1 100 100 LEU CD2 C 13 24.041 0.05 . 2 . . . . . . . . 5261 1 1121 . 1 1 100 100 LEU HD21 H 1 0.619 0.03 . 2 . . . . . . . . 5261 1 1122 . 1 1 100 100 LEU HD22 H 1 0.619 0.03 . 2 . . . . . . . . 5261 1 1123 . 1 1 100 100 LEU HD23 H 1 0.619 0.03 . 2 . . . . . . . . 5261 1 1124 . 1 1 100 100 LEU C C 13 177.913 0.05 . 1 . . . . . . . . 5261 1 1125 . 1 1 101 101 GLU N N 15 118.484 0.05 . 1 . . . . . . . . 5261 1 1126 . 1 1 101 101 GLU H H 1 7.650 0.03 . 1 . . . . . . . . 5261 1 1127 . 1 1 101 101 GLU CA C 13 59.556 0.05 . 1 . . . . . . . . 5261 1 1128 . 1 1 101 101 GLU HA H 1 3.955 0.03 . 1 . . . . . . . . 5261 1 1129 . 1 1 101 101 GLU CB C 13 29.423 0.05 . 1 . . . . . . . . 5261 1 1130 . 1 1 101 101 GLU HB3 H 1 2.167 0.03 . 1 . . . . . . . . 5261 1 1131 . 1 1 101 101 GLU HB2 H 1 2.167 0.03 . 1 . . . . . . . . 5261 1 1132 . 1 1 101 101 GLU CG C 13 36.203 0.05 . 1 . . . . . . . . 5261 1 1133 . 1 1 101 101 GLU HG3 H 1 2.364 0.03 . 1 . . . . . . . . 5261 1 1134 . 1 1 101 101 GLU HG2 H 1 2.364 0.03 . 1 . . . . . . . . 5261 1 1135 . 1 1 101 101 GLU C C 13 179.641 0.05 . 1 . . . . . . . . 5261 1 1136 . 1 1 102 102 VAL N N 15 122.294 0.05 . 1 . . . . . . . . 5261 1 1137 . 1 1 102 102 VAL H H 1 8.508 0.03 . 1 . . . . . . . . 5261 1 1138 . 1 1 102 102 VAL CA C 13 66.764 0.05 . 1 . . . . . . . . 5261 1 1139 . 1 1 102 102 VAL HA H 1 3.514 0.03 . 1 . . . . . . . . 5261 1 1140 . 1 1 102 102 VAL CB C 13 31.511 0.05 . 1 . . . . . . . . 5261 1 1141 . 1 1 102 102 VAL HB H 1 2.096 0.03 . 1 . . . . . . . . 5261 1 1142 . 1 1 102 102 VAL CG2 C 13 23.150 0.05 . 2 . . . . . . . . 5261 1 1143 . 1 1 102 102 VAL HG21 H 1 0.974 0.03 . 2 . . . . . . . . 5261 1 1144 . 1 1 102 102 VAL HG22 H 1 0.974 0.03 . 2 . . . . . . . . 5261 1 1145 . 1 1 102 102 VAL HG23 H 1 0.974 0.03 . 2 . . . . . . . . 5261 1 1146 . 1 1 102 102 VAL CG1 C 13 21.269 0.05 . 2 . . . . . . . . 5261 1 1147 . 1 1 102 102 VAL HG11 H 1 0.697 0.03 . 2 . . . . . . . . 5261 1 1148 . 1 1 102 102 VAL HG12 H 1 0.697 0.03 . 2 . . . . . . . . 5261 1 1149 . 1 1 102 102 VAL HG13 H 1 0.697 0.03 . 2 . . . . . . . . 5261 1 1150 . 1 1 102 102 VAL C C 13 179.216 0.05 . 1 . . . . . . . . 5261 1 1151 . 1 1 103 103 ILE N N 15 121.170 0.05 . 1 . . . . . . . . 5261 1 1152 . 1 1 103 103 ILE H H 1 8.313 0.03 . 1 . . . . . . . . 5261 1 1153 . 1 1 103 103 ILE CA C 13 66.973 0.05 . 1 . . . . . . . . 5261 1 1154 . 1 1 103 103 ILE HA H 1 3.935 0.03 . 1 . . . . . . . . 5261 1 1155 . 1 1 103 103 ILE CB C 13 37.927 0.05 . 1 . . . . . . . . 5261 1 1156 . 1 1 103 103 ILE HB H 1 1.874 0.03 . 1 . . . . . . . . 5261 1 1157 . 1 1 103 103 ILE CG1 C 13 29.007 0.05 . 1 . . . . . . . . 5261 1 1158 . 1 1 103 103 ILE HG13 H 1 1.653 0.03 . 1 . . . . . . . . 5261 1 1159 . 1 1 103 103 ILE HG12 H 1 1.653 0.03 . 1 . . . . . . . . 5261 1 1160 . 1 1 103 103 ILE CD1 C 13 14.234 0.05 . 1 . . . . . . . . 5261 1 1161 . 1 1 103 103 ILE HD11 H 1 0.614 0.03 . 1 . . . . . . . . 5261 1 1162 . 1 1 103 103 ILE HD12 H 1 0.614 0.03 . 1 . . . . . . . . 5261 1 1163 . 1 1 103 103 ILE HD13 H 1 0.614 0.03 . 1 . . . . . . . . 5261 1 1164 . 1 1 103 103 ILE CG2 C 13 17.008 0.05 . 1 . . . . . . . . 5261 1 1165 . 1 1 103 103 ILE HG21 H 1 0.660 0.03 . 1 . . . . . . . . 5261 1 1166 . 1 1 103 103 ILE HG22 H 1 0.660 0.03 . 1 . . . . . . . . 5261 1 1167 . 1 1 103 103 ILE HG23 H 1 0.660 0.03 . 1 . . . . . . . . 5261 1 1168 . 1 1 103 103 ILE C C 13 176.662 0.05 . 1 . . . . . . . . 5261 1 1169 . 1 1 104 104 LYS N N 15 115.647 0.05 . 1 . . . . . . . . 5261 1 1170 . 1 1 104 104 LYS H H 1 8.244 0.03 . 1 . . . . . . . . 5261 1 1171 . 1 1 104 104 LYS CA C 13 59.795 0.05 . 1 . . . . . . . . 5261 1 1172 . 1 1 104 104 LYS HA H 1 3.971 0.03 . 1 . . . . . . . . 5261 1 1173 . 1 1 104 104 LYS CB C 13 32.881 0.05 . 1 . . . . . . . . 5261 1 1174 . 1 1 104 104 LYS HB3 H 1 1.885 0.03 . 2 . . . . . . . . 5261 1 1175 . 1 1 104 104 LYS HB2 H 1 1.813 0.03 . 2 . . . . . . . . 5261 1 1176 . 1 1 104 104 LYS CG C 13 27.283 0.05 . 1 . . . . . . . . 5261 1 1177 . 1 1 104 104 LYS HG3 H 1 1.324 0.03 . 1 . . . . . . . . 5261 1 1178 . 1 1 104 104 LYS HG2 H 1 1.324 0.03 . 1 . . . . . . . . 5261 1 1179 . 1 1 104 104 LYS CD C 13 30.211 0.05 . 1 . . . . . . . . 5261 1 1180 . 1 1 104 104 LYS HD3 H 1 1.649 0.03 . 2 . . . . . . . . 5261 1 1181 . 1 1 104 104 LYS HD2 H 1 1.765 0.03 . 2 . . . . . . . . 5261 1 1182 . 1 1 104 104 LYS CE C 13 41.865 0.05 . 1 . . . . . . . . 5261 1 1183 . 1 1 104 104 LYS HE3 H 1 2.872 0.03 . 2 . . . . . . . . 5261 1 1184 . 1 1 104 104 LYS HE2 H 1 2.694 0.03 . 2 . . . . . . . . 5261 1 1185 . 1 1 104 104 LYS C C 13 178.682 0.05 . 1 . . . . . . . . 5261 1 1186 . 1 1 105 105 SER N N 15 111.084 0.05 . 1 . . . . . . . . 5261 1 1187 . 1 1 105 105 SER H H 1 8.240 0.03 . 1 . . . . . . . . 5261 1 1188 . 1 1 105 105 SER CA C 13 60.192 0.05 . 1 . . . . . . . . 5261 1 1189 . 1 1 105 105 SER HA H 1 4.359 0.03 . 1 . . . . . . . . 5261 1 1190 . 1 1 105 105 SER CB C 13 63.790 0.05 . 1 . . . . . . . . 5261 1 1191 . 1 1 105 105 SER HB3 H 1 3.922 0.03 . 2 . . . . . . . . 5261 1 1192 . 1 1 105 105 SER HB2 H 1 3.847 0.03 . 2 . . . . . . . . 5261 1 1193 . 1 1 105 105 SER C C 13 175.052 0.05 . 1 . . . . . . . . 5261 1 1194 . 1 1 106 106 ASN N N 15 116.193 0.05 . 1 . . . . . . . . 5261 1 1195 . 1 1 106 106 ASN H H 1 7.301 0.03 . 1 . . . . . . . . 5261 1 1196 . 1 1 106 106 ASN CA C 13 55.250 0.05 . 1 . . . . . . . . 5261 1 1197 . 1 1 106 106 ASN HA H 1 4.834 0.03 . 1 . . . . . . . . 5261 1 1198 . 1 1 106 106 ASN CB C 13 42.368 0.05 . 1 . . . . . . . . 5261 1 1199 . 1 1 106 106 ASN HB3 H 1 2.444 0.03 . 1 . . . . . . . . 5261 1 1200 . 1 1 106 106 ASN HB2 H 1 2.444 0.03 . 1 . . . . . . . . 5261 1 1201 . 1 1 106 106 ASN ND2 N 15 115.139 0.05 . 1 . . . . . . . . 5261 1 1202 . 1 1 106 106 ASN HD21 H 1 7.735 0.03 . 2 . . . . . . . . 5261 1 1203 . 1 1 106 106 ASN HD22 H 1 7.300 0.03 . 2 . . . . . . . . 5261 1 1204 . 1 1 106 106 ASN C C 13 173.428 0.05 . 1 . . . . . . . . 5261 1 1205 . 1 1 107 107 LEU N N 15 117.154 0.05 . 1 . . . . . . . . 5261 1 1206 . 1 1 107 107 LEU H H 1 8.009 0.03 . 1 . . . . . . . . 5261 1 1207 . 1 1 107 107 LEU CA C 13 52.334 0.05 . 1 . . . . . . . . 5261 1 1208 . 1 1 107 107 LEU HA H 1 4.832 0.03 . 1 . . . . . . . . 5261 1 1209 . 1 1 107 107 LEU CB C 13 43.815 0.05 . 1 . . . . . . . . 5261 1 1210 . 1 1 107 107 LEU HB3 H 1 1.817 0.03 . 1 . . . . . . . . 5261 1 1211 . 1 1 107 107 LEU HB2 H 1 1.817 0.03 . 1 . . . . . . . . 5261 1 1212 . 1 1 107 107 LEU CG C 13 26.656 0.05 . 1 . . . . . . . . 5261 1 1213 . 1 1 107 107 LEU HG H 1 1.375 0.03 . 1 . . . . . . . . 5261 1 1214 . 1 1 107 107 LEU CD1 C 13 23.441 0.05 . 2 . . . . . . . . 5261 1 1215 . 1 1 107 107 LEU HD11 H 1 0.539 0.03 . 2 . . . . . . . . 5261 1 1216 . 1 1 107 107 LEU HD12 H 1 0.539 0.03 . 2 . . . . . . . . 5261 1 1217 . 1 1 107 107 LEU HD13 H 1 0.539 0.03 . 2 . . . . . . . . 5261 1 1218 . 1 1 107 107 LEU CD2 C 13 25.636 0.05 . 2 . . . . . . . . 5261 1 1219 . 1 1 107 107 LEU HD21 H 1 0.761 0.03 . 2 . . . . . . . . 5261 1 1220 . 1 1 107 107 LEU HD22 H 1 0.761 0.03 . 2 . . . . . . . . 5261 1 1221 . 1 1 107 107 LEU HD23 H 1 0.761 0.03 . 2 . . . . . . . . 5261 1 1222 . 1 1 107 107 LEU C C 13 174.965 0.05 . 1 . . . . . . . . 5261 1 1223 . 1 1 108 108 LYS N N 15 122.801 0.05 . 1 . . . . . . . . 5261 1 1224 . 1 1 108 108 LYS H H 1 9.187 0.03 . 1 . . . . . . . . 5261 1 1225 . 1 1 108 108 LYS CA C 13 55.586 0.05 . 1 . . . . . . . . 5261 1 1226 . 1 1 108 108 LYS HA H 1 4.348 0.03 . 1 . . . . . . . . 5261 1 1227 . 1 1 108 108 LYS CB C 13 33.954 0.05 . 1 . . . . . . . . 5261 1 1228 . 1 1 108 108 LYS HB3 H 1 1.757 0.03 . 1 . . . . . . . . 5261 1 1229 . 1 1 108 108 LYS HB2 H 1 1.757 0.03 . 1 . . . . . . . . 5261 1 1230 . 1 1 108 108 LYS CG C 13 25.280 0.05 . 1 . . . . . . . . 5261 1 1231 . 1 1 108 108 LYS HG3 H 1 1.451 0.03 . 2 . . . . . . . . 5261 1 1232 . 1 1 108 108 LYS HG2 H 1 1.373 0.03 . 2 . . . . . . . . 5261 1 1233 . 1 1 108 108 LYS CD C 13 29.400 0.05 . 1 . . . . . . . . 5261 1 1234 . 1 1 108 108 LYS HD3 H 1 1.627 0.03 . 1 . . . . . . . . 5261 1 1235 . 1 1 108 108 LYS HD2 H 1 1.627 0.03 . 1 . . . . . . . . 5261 1 1236 . 1 1 108 108 LYS CE C 13 42.088 0.05 . 1 . . . . . . . . 5261 1 1237 . 1 1 108 108 LYS HE3 H 1 2.902 0.03 . 1 . . . . . . . . 5261 1 1238 . 1 1 108 108 LYS HE2 H 1 2.902 0.03 . 1 . . . . . . . . 5261 1 1239 . 1 1 108 108 LYS C C 13 176.585 0.05 . 1 . . . . . . . . 5261 1 1240 . 1 1 109 109 ASN N N 15 118.732 0.05 . 1 . . . . . . . . 5261 1 1241 . 1 1 109 109 ASN H H 1 9.229 0.03 . 1 . . . . . . . . 5261 1 1242 . 1 1 109 109 ASN CA C 13 53.750 0.05 . 1 . . . . . . . . 5261 1 1243 . 1 1 109 109 ASN HA H 1 4.505 0.03 . 1 . . . . . . . . 5261 1 1244 . 1 1 109 109 ASN CB C 13 38.450 0.05 . 1 . . . . . . . . 5261 1 1245 . 1 1 109 109 ASN HB3 H 1 3.059 0.03 . 2 . . . . . . . . 5261 1 1246 . 1 1 109 109 ASN HB2 H 1 2.830 0.03 . 2 . . . . . . . . 5261 1 1247 . 1 1 109 109 ASN ND2 N 15 113.612 0.05 . 1 . . . . . . . . 5261 1 1248 . 1 1 109 109 ASN HD21 H 1 7.776 0.03 . 2 . . . . . . . . 5261 1 1249 . 1 1 109 109 ASN HD22 H 1 6.891 0.03 . 2 . . . . . . . . 5261 1 1250 . 1 1 110 110 PRO CA C 13 62.758 0.05 . 1 . . . . . . . . 5261 1 1251 . 1 1 110 110 PRO HA H 1 5.229 0.03 . 1 . . . . . . . . 5261 1 1252 . 1 1 110 110 PRO CB C 13 31.496 0.05 . 1 . . . . . . . . 5261 1 1253 . 1 1 110 110 PRO HB3 H 1 1.790 0.03 . 1 . . . . . . . . 5261 1 1254 . 1 1 110 110 PRO HB2 H 1 1.790 0.03 . 1 . . . . . . . . 5261 1 1255 . 1 1 110 110 PRO CG C 13 28.070 0.05 . 1 . . . . . . . . 5261 1 1256 . 1 1 110 110 PRO HG3 H 1 1.475 0.03 . 1 . . . . . . . . 5261 1 1257 . 1 1 110 110 PRO HG2 H 1 1.475 0.03 . 1 . . . . . . . . 5261 1 1258 . 1 1 110 110 PRO CD C 13 50.285 0.05 . 1 . . . . . . . . 5261 1 1259 . 1 1 110 110 PRO HD3 H 1 3.751 0.03 . 2 . . . . . . . . 5261 1 1260 . 1 1 110 110 PRO HD2 H 1 3.657 0.03 . 2 . . . . . . . . 5261 1 1261 . 1 1 110 110 PRO C C 13 177.400 0.05 . 1 . . . . . . . . 5261 1 1262 . 1 1 111 111 GLN N N 15 120.771 0.05 . 1 . . . . . . . . 5261 1 1263 . 1 1 111 111 GLN H H 1 8.782 0.03 . 1 . . . . . . . . 5261 1 1264 . 1 1 111 111 GLN CA C 13 54.905 0.05 . 1 . . . . . . . . 5261 1 1265 . 1 1 111 111 GLN HA H 1 4.660 0.03 . 1 . . . . . . . . 5261 1 1266 . 1 1 111 111 GLN CB C 13 33.994 0.05 . 1 . . . . . . . . 5261 1 1267 . 1 1 111 111 GLN HB3 H 1 1.963 0.03 . 2 . . . . . . . . 5261 1 1268 . 1 1 111 111 GLN HB2 H 1 1.871 0.03 . 2 . . . . . . . . 5261 1 1269 . 1 1 111 111 GLN CG C 13 33.996 0.05 . 1 . . . . . . . . 5261 1 1270 . 1 1 111 111 GLN HG3 H 1 2.412 0.03 . 1 . . . . . . . . 5261 1 1271 . 1 1 111 111 GLN HG2 H 1 2.412 0.03 . 1 . . . . . . . . 5261 1 1272 . 1 1 111 111 GLN NE2 N 15 110.670 0.05 . 1 . . . . . . . . 5261 1 1273 . 1 1 111 111 GLN HE21 H 1 7.262 0.03 . 2 . . . . . . . . 5261 1 1274 . 1 1 111 111 GLN HE22 H 1 6.796 0.03 . 2 . . . . . . . . 5261 1 1275 . 1 1 111 111 GLN C C 13 172.881 0.05 . 1 . . . . . . . . 5261 1 1276 . 1 1 112 112 VAL N N 15 119.163 0.05 . 1 . . . . . . . . 5261 1 1277 . 1 1 112 112 VAL H H 1 7.915 0.03 . 1 . . . . . . . . 5261 1 1278 . 1 1 112 112 VAL CA C 13 61.577 0.05 . 1 . . . . . . . . 5261 1 1279 . 1 1 112 112 VAL HA H 1 4.854 0.03 . 1 . . . . . . . . 5261 1 1280 . 1 1 112 112 VAL CB C 13 31.707 0.05 . 1 . . . . . . . . 5261 1 1281 . 1 1 112 112 VAL HB H 1 1.877 0.03 . 1 . . . . . . . . 5261 1 1282 . 1 1 112 112 VAL CG2 C 13 21.690 0.05 . 2 . . . . . . . . 5261 1 1283 . 1 1 112 112 VAL HG21 H 1 0.636 0.03 . 2 . . . . . . . . 5261 1 1284 . 1 1 112 112 VAL HG22 H 1 0.636 0.03 . 2 . . . . . . . . 5261 1 1285 . 1 1 112 112 VAL HG23 H 1 0.636 0.03 . 2 . . . . . . . . 5261 1 1286 . 1 1 112 112 VAL CG1 C 13 20.528 0.05 . 2 . . . . . . . . 5261 1 1287 . 1 1 112 112 VAL HG11 H 1 -0.217 0.03 . 2 . . . . . . . . 5261 1 1288 . 1 1 112 112 VAL HG12 H 1 -0.217 0.03 . 2 . . . . . . . . 5261 1 1289 . 1 1 112 112 VAL HG13 H 1 -0.217 0.03 . 2 . . . . . . . . 5261 1 1290 . 1 1 112 112 VAL C C 13 173.671 0.05 . 1 . . . . . . . . 5261 1 1291 . 1 1 113 113 TYR N N 15 126.764 0.05 . 1 . . . . . . . . 5261 1 1292 . 1 1 113 113 TYR H H 1 9.397 0.03 . 1 . . . . . . . . 5261 1 1293 . 1 1 113 113 TYR CA C 13 57.306 0.05 . 1 . . . . . . . . 5261 1 1294 . 1 1 113 113 TYR HA H 1 4.808 0.03 . 1 . . . . . . . . 5261 1 1295 . 1 1 113 113 TYR CB C 13 40.590 0.05 . 1 . . . . . . . . 5261 1 1296 . 1 1 113 113 TYR HB3 H 1 3.033 0.03 . 2 . . . . . . . . 5261 1 1297 . 1 1 113 113 TYR HB2 H 1 2.534 0.03 . 2 . . . . . . . . 5261 1 1298 . 1 1 113 113 TYR CD1 C 13 129.476 0.05 . 1 . . . . . . . . 5261 1 1299 . 1 1 113 113 TYR HD1 H 1 6.927 0.03 . 1 . . . . . . . . 5261 1 1300 . 1 1 113 113 TYR CE1 C 13 118.227 0.05 . 1 . . . . . . . . 5261 1 1301 . 1 1 113 113 TYR HE1 H 1 6.557 0.03 . 1 . . . . . . . . 5261 1 1302 . 1 1 113 113 TYR CE2 C 13 118.227 0.05 . 1 . . . . . . . . 5261 1 1303 . 1 1 113 113 TYR HE2 H 1 6.557 0.03 . 1 . . . . . . . . 5261 1 1304 . 1 1 113 113 TYR CD2 C 13 129.476 0.05 . 1 . . . . . . . . 5261 1 1305 . 1 1 113 113 TYR HD2 H 1 6.927 0.03 . 1 . . . . . . . . 5261 1 1306 . 1 1 113 113 TYR C C 13 174.742 0.05 . 1 . . . . . . . . 5261 1 1307 . 1 1 114 114 ARG N N 15 121.168 0.05 . 1 . . . . . . . . 5261 1 1308 . 1 1 114 114 ARG H H 1 8.986 0.03 . 1 . . . . . . . . 5261 1 1309 . 1 1 114 114 ARG CA C 13 54.296 0.05 . 1 . . . . . . . . 5261 1 1310 . 1 1 114 114 ARG HA H 1 4.876 0.03 . 1 . . . . . . . . 5261 1 1311 . 1 1 114 114 ARG CB C 13 32.625 0.05 . 1 . . . . . . . . 5261 1 1312 . 1 1 114 114 ARG HB3 H 1 1.657 0.03 . 1 . . . . . . . . 5261 1 1313 . 1 1 114 114 ARG HB2 H 1 1.657 0.03 . 1 . . . . . . . . 5261 1 1314 . 1 1 114 114 ARG CG C 13 26.688 0.05 . 1 . . . . . . . . 5261 1 1315 . 1 1 114 114 ARG HG3 H 1 1.291 0.03 . 1 . . . . . . . . 5261 1 1316 . 1 1 114 114 ARG HG2 H 1 1.291 0.03 . 1 . . . . . . . . 5261 1 1317 . 1 1 114 114 ARG CD C 13 44.233 0.05 . 1 . . . . . . . . 5261 1 1318 . 1 1 114 114 ARG HD3 H 1 3.135 0.03 . 2 . . . . . . . . 5261 1 1319 . 1 1 114 114 ARG HD2 H 1 2.845 0.03 . 2 . . . . . . . . 5261 1 1320 . 1 1 114 114 ARG C C 13 175.247 0.05 . 1 . . . . . . . . 5261 1 1321 . 1 1 115 115 LEU N N 15 127.277 0.05 . 1 . . . . . . . . 5261 1 1322 . 1 1 115 115 LEU H H 1 9.318 0.03 . 1 . . . . . . . . 5261 1 1323 . 1 1 115 115 LEU CA C 13 54.294 0.05 . 1 . . . . . . . . 5261 1 1324 . 1 1 115 115 LEU HA H 1 5.258 0.03 . 1 . . . . . . . . 5261 1 1325 . 1 1 115 115 LEU CB C 13 44.198 0.05 . 1 . . . . . . . . 5261 1 1326 . 1 1 115 115 LEU HB3 H 1 1.645 0.03 . 1 . . . . . . . . 5261 1 1327 . 1 1 115 115 LEU HB2 H 1 1.645 0.03 . 1 . . . . . . . . 5261 1 1328 . 1 1 115 115 LEU CG C 13 28.397 0.05 . 1 . . . . . . . . 5261 1 1329 . 1 1 115 115 LEU HG H 1 1.641 0.03 . 1 . . . . . . . . 5261 1 1330 . 1 1 115 115 LEU CD1 C 13 26.154 0.05 . 2 . . . . . . . . 5261 1 1331 . 1 1 115 115 LEU HD11 H 1 0.716 0.03 . 2 . . . . . . . . 5261 1 1332 . 1 1 115 115 LEU HD12 H 1 0.716 0.03 . 2 . . . . . . . . 5261 1 1333 . 1 1 115 115 LEU HD13 H 1 0.716 0.03 . 2 . . . . . . . . 5261 1 1334 . 1 1 115 115 LEU CD2 C 13 25.135 0.05 . 2 . . . . . . . . 5261 1 1335 . 1 1 115 115 LEU HD21 H 1 1.001 0.03 . 2 . . . . . . . . 5261 1 1336 . 1 1 115 115 LEU HD22 H 1 1.001 0.03 . 2 . . . . . . . . 5261 1 1337 . 1 1 115 115 LEU HD23 H 1 1.001 0.03 . 2 . . . . . . . . 5261 1 1338 . 1 1 115 115 LEU C C 13 175.977 0.05 . 1 . . . . . . . . 5261 1 1339 . 1 1 116 116 GLY N N 15 107.801 0.05 . 1 . . . . . . . . 5261 1 1340 . 1 1 116 116 GLY H H 1 8.615 0.03 . 1 . . . . . . . . 5261 1 1341 . 1 1 116 116 GLY CA C 13 43.695 0.05 . 1 . . . . . . . . 5261 1 1342 . 1 1 116 116 GLY HA3 H 1 3.788 0.03 . 2 . . . . . . . . 5261 1 1343 . 1 1 116 116 GLY HA2 H 1 4.904 0.03 . 2 . . . . . . . . 5261 1 1344 . 1 1 116 116 GLY C C 13 172.299 0.05 . 1 . . . . . . . . 5261 1 1345 . 1 1 117 117 GLU N N 15 117.941 0.05 . 1 . . . . . . . . 5261 1 1346 . 1 1 117 117 GLU H H 1 8.036 0.03 . 1 . . . . . . . . 5261 1 1347 . 1 1 117 117 GLU CA C 13 56.594 0.05 . 1 . . . . . . . . 5261 1 1348 . 1 1 117 117 GLU HA H 1 4.359 0.03 . 1 . . . . . . . . 5261 1 1349 . 1 1 117 117 GLU CB C 13 32.935 0.05 . 1 . . . . . . . . 5261 1 1350 . 1 1 117 117 GLU HB3 H 1 1.885 0.03 . 2 . . . . . . . . 5261 1 1351 . 1 1 117 117 GLU HB2 H 1 2.004 0.03 . 2 . . . . . . . . 5261 1 1352 . 1 1 117 117 GLU CG C 13 36.319 0.05 . 1 . . . . . . . . 5261 1 1353 . 1 1 117 117 GLU HG3 H 1 2.165 0.03 . 2 . . . . . . . . 5261 1 1354 . 1 1 117 117 GLU HG2 H 1 2.211 0.03 . 2 . . . . . . . . 5261 1 1355 . 1 1 117 117 GLU C C 13 175.529 0.05 . 1 . . . . . . . . 5261 1 1356 . 1 1 118 118 VAL N N 15 121.029 0.05 . 1 . . . . . . . . 5261 1 1357 . 1 1 118 118 VAL H H 1 8.818 0.03 . 1 . . . . . . . . 5261 1 1358 . 1 1 118 118 VAL CA C 13 68.538 0.05 . 1 . . . . . . . . 5261 1 1359 . 1 1 118 118 VAL HA H 1 3.622 0.03 . 1 . . . . . . . . 5261 1 1360 . 1 1 118 118 VAL CB C 13 30.726 0.05 . 1 . . . . . . . . 5261 1 1361 . 1 1 118 118 VAL HB H 1 2.612 0.03 . 1 . . . . . . . . 5261 1 1362 . 1 1 118 118 VAL CG2 C 13 21.583 0.05 . 1 . . . . . . . . 5261 1 1363 . 1 1 118 118 VAL HG21 H 1 0.944 0.03 . 2 . . . . . . . . 5261 1 1364 . 1 1 118 118 VAL HG22 H 1 0.944 0.03 . 2 . . . . . . . . 5261 1 1365 . 1 1 118 118 VAL HG23 H 1 0.944 0.03 . 2 . . . . . . . . 5261 1 1366 . 1 1 118 118 VAL CG1 C 13 21.583 0.05 . 1 . . . . . . . . 5261 1 1367 . 1 1 118 118 VAL HG11 H 1 0.979 0.03 . 2 . . . . . . . . 5261 1 1368 . 1 1 118 118 VAL HG12 H 1 0.979 0.03 . 2 . . . . . . . . 5261 1 1369 . 1 1 118 118 VAL HG13 H 1 0.979 0.03 . 2 . . . . . . . . 5261 1 1370 . 1 1 118 118 VAL C C 13 174.665 0.05 . 1 . . . . . . . . 5261 1 1371 . 1 1 119 119 GLU N N 15 121.558 0.05 . 1 . . . . . . . . 5261 1 1372 . 1 1 119 119 GLU H H 1 8.291 0.03 . 1 . . . . . . . . 5261 1 1373 . 1 1 119 119 GLU CA C 13 55.601 0.05 . 1 . . . . . . . . 5261 1 1374 . 1 1 119 119 GLU HA H 1 4.691 0.03 . 1 . . . . . . . . 5261 1 1375 . 1 1 119 119 GLU CB C 13 29.832 0.05 . 1 . . . . . . . . 5261 1 1376 . 1 1 119 119 GLU HB3 H 1 1.978 0.03 . 2 . . . . . . . . 5261 1 1377 . 1 1 119 119 GLU HB2 H 1 2.091 0.03 . 2 . . . . . . . . 5261 1 1378 . 1 1 119 119 GLU CG C 13 36.712 0.05 . 1 . . . . . . . . 5261 1 1379 . 1 1 119 119 GLU HG3 H 1 2.063 0.03 . 2 . . . . . . . . 5261 1 1380 . 1 1 119 119 GLU HG2 H 1 2.196 0.03 . 2 . . . . . . . . 5261 1 1381 . 1 1 119 119 GLU C C 13 175.097 0.05 . 1 . . . . . . . . 5261 1 1382 . 1 1 120 120 LEU N N 15 124.908 0.05 . 1 . . . . . . . . 5261 1 1383 . 1 1 120 120 LEU H H 1 9.149 0.03 . 1 . . . . . . . . 5261 1 1384 . 1 1 120 120 LEU CA C 13 54.498 0.05 . 1 . . . . . . . . 5261 1 1385 . 1 1 120 120 LEU HA H 1 4.892 0.03 . 1 . . . . . . . . 5261 1 1386 . 1 1 120 120 LEU CB C 13 43.722 0.05 . 1 . . . . . . . . 5261 1 1387 . 1 1 120 120 LEU HB3 H 1 1.297 0.03 . 2 . . . . . . . . 5261 1 1388 . 1 1 120 120 LEU HB2 H 1 1.514 0.03 . 2 . . . . . . . . 5261 1 1389 . 1 1 120 120 LEU CG C 13 27.367 0.05 . 1 . . . . . . . . 5261 1 1390 . 1 1 120 120 LEU HG H 1 1.464 0.03 . 1 . . . . . . . . 5261 1 1391 . 1 1 120 120 LEU CD1 C 13 25.720 0.05 . 2 . . . . . . . . 5261 1 1392 . 1 1 120 120 LEU HD11 H 1 0.454 0.03 . 2 . . . . . . . . 5261 1 1393 . 1 1 120 120 LEU HD12 H 1 0.454 0.03 . 2 . . . . . . . . 5261 1 1394 . 1 1 120 120 LEU HD13 H 1 0.454 0.03 . 2 . . . . . . . . 5261 1 1395 . 1 1 120 120 LEU CD2 C 13 25.734 0.05 . 2 . . . . . . . . 5261 1 1396 . 1 1 120 120 LEU HD21 H 1 0.612 0.03 . 2 . . . . . . . . 5261 1 1397 . 1 1 120 120 LEU HD22 H 1 0.612 0.03 . 2 . . . . . . . . 5261 1 1398 . 1 1 120 120 LEU HD23 H 1 0.612 0.03 . 2 . . . . . . . . 5261 1 1399 . 1 1 120 120 LEU C C 13 176.730 0.05 . 1 . . . . . . . . 5261 1 1400 . 1 1 121 121 ASP N N 15 121.703 0.05 . 1 . . . . . . . . 5261 1 1401 . 1 1 121 121 ASP H H 1 8.488 0.03 . 1 . . . . . . . . 5261 1 1402 . 1 1 121 121 ASP CA C 13 54.271 0.05 . 1 . . . . . . . . 5261 1 1403 . 1 1 121 121 ASP HA H 1 4.900 0.03 . 1 . . . . . . . . 5261 1 1404 . 1 1 121 121 ASP CB C 13 44.040 0.05 . 1 . . . . . . . . 5261 1 1405 . 1 1 121 121 ASP HB3 H 1 2.764 0.03 . 2 . . . . . . . . 5261 1 1406 . 1 1 121 121 ASP HB2 H 1 2.530 0.03 . 2 . . . . . . . . 5261 1 1407 . 1 1 121 121 ASP C C 13 175.471 0.05 . 1 . . . . . . . . 5261 1 1408 . 1 1 122 122 VAL N N 15 121.932 0.05 . 1 . . . . . . . . 5261 1 1409 . 1 1 122 122 VAL H H 1 8.194 0.03 . 1 . . . . . . . . 5261 1 1410 . 1 1 122 122 VAL CA C 13 60.735 0.05 . 1 . . . . . . . . 5261 1 1411 . 1 1 122 122 VAL HA H 1 4.831 0.03 . 1 . . . . . . . . 5261 1 1412 . 1 1 122 122 VAL CB C 13 33.737 0.05 . 1 . . . . . . . . 5261 1 1413 . 1 1 122 122 VAL HB H 1 1.300 0.03 . 1 . . . . . . . . 5261 1 1414 . 1 1 122 122 VAL CG2 C 13 21.766 0.05 . 2 . . . . . . . . 5261 1 1415 . 1 1 122 122 VAL HG21 H 1 0.580 0.03 . 2 . . . . . . . . 5261 1 1416 . 1 1 122 122 VAL HG22 H 1 0.580 0.03 . 2 . . . . . . . . 5261 1 1417 . 1 1 122 122 VAL HG23 H 1 0.580 0.03 . 2 . . . . . . . . 5261 1 1418 . 1 1 122 122 VAL CG1 C 13 21.742 0.05 . 2 . . . . . . . . 5261 1 1419 . 1 1 122 122 VAL HG11 H 1 0.147 0.03 . 2 . . . . . . . . 5261 1 1420 . 1 1 122 122 VAL HG12 H 1 0.147 0.03 . 2 . . . . . . . . 5261 1 1421 . 1 1 122 122 VAL HG13 H 1 0.147 0.03 . 2 . . . . . . . . 5261 1 1422 . 1 1 122 122 VAL C C 13 173.460 0.05 . 1 . . . . . . . . 5261 1 1423 . 1 1 123 123 TYR N N 15 124.354 0.05 . 1 . . . . . . . . 5261 1 1424 . 1 1 123 123 TYR H H 1 8.988 0.03 . 1 . . . . . . . . 5261 1 1425 . 1 1 123 123 TYR CA C 13 57.169 0.05 . 1 . . . . . . . . 5261 1 1426 . 1 1 123 123 TYR HA H 1 4.673 0.03 . 1 . . . . . . . . 5261 1 1427 . 1 1 123 123 TYR CB C 13 41.305 0.05 . 1 . . . . . . . . 5261 1 1428 . 1 1 123 123 TYR HB3 H 1 2.783 0.03 . 2 . . . . . . . . 5261 1 1429 . 1 1 123 123 TYR HB2 H 1 2.637 0.03 . 2 . . . . . . . . 5261 1 1430 . 1 1 123 123 TYR CD1 C 13 132.836 0.05 . 1 . . . . . . . . 5261 1 1431 . 1 1 123 123 TYR HD1 H 1 6.668 0.03 . 1 . . . . . . . . 5261 1 1432 . 1 1 123 123 TYR CE1 C 13 117.975 0.05 . 1 . . . . . . . . 5261 1 1433 . 1 1 123 123 TYR HE1 H 1 6.520 0.03 . 1 . . . . . . . . 5261 1 1434 . 1 1 123 123 TYR CE2 C 13 117.975 0.05 . 1 . . . . . . . . 5261 1 1435 . 1 1 123 123 TYR HE2 H 1 6.520 0.03 . 1 . . . . . . . . 5261 1 1436 . 1 1 123 123 TYR CD2 C 13 132.836 0.05 . 1 . . . . . . . . 5261 1 1437 . 1 1 123 123 TYR HD2 H 1 6.668 0.03 . 1 . . . . . . . . 5261 1 1438 . 1 1 123 123 TYR C C 13 174.324 0.05 . 1 . . . . . . . . 5261 1 1439 . 1 1 124 124 VAL N N 15 126.993 0.05 . 1 . . . . . . . . 5261 1 1440 . 1 1 124 124 VAL H H 1 9.584 0.03 . 1 . . . . . . . . 5261 1 1441 . 1 1 124 124 VAL CA C 13 61.652 0.05 . 1 . . . . . . . . 5261 1 1442 . 1 1 124 124 VAL HA H 1 4.685 0.03 . 1 . . . . . . . . 5261 1 1443 . 1 1 124 124 VAL CB C 13 31.096 0.05 . 1 . . . . . . . . 5261 1 1444 . 1 1 124 124 VAL HB H 1 2.404 0.03 . 1 . . . . . . . . 5261 1 1445 . 1 1 124 124 VAL CG2 C 13 21.181 0.05 . 2 . . . . . . . . 5261 1 1446 . 1 1 124 124 VAL HG21 H 1 0.839 0.03 . 2 . . . . . . . . 5261 1 1447 . 1 1 124 124 VAL HG22 H 1 0.839 0.03 . 2 . . . . . . . . 5261 1 1448 . 1 1 124 124 VAL HG23 H 1 0.839 0.03 . 2 . . . . . . . . 5261 1 1449 . 1 1 124 124 VAL CG1 C 13 20.109 0.05 . 2 . . . . . . . . 5261 1 1450 . 1 1 124 124 VAL HG11 H 1 0.845 0.03 . 2 . . . . . . . . 5261 1 1451 . 1 1 124 124 VAL HG12 H 1 0.845 0.03 . 2 . . . . . . . . 5261 1 1452 . 1 1 124 124 VAL HG13 H 1 0.845 0.03 . 2 . . . . . . . . 5261 1 1453 . 1 1 124 124 VAL C C 13 174.460 0.05 . 1 . . . . . . . . 5261 1 1454 . 1 1 125 125 ILE N N 15 123.470 0.05 . 1 . . . . . . . . 5261 1 1455 . 1 1 125 125 ILE H H 1 8.849 0.03 . 1 . . . . . . . . 5261 1 1456 . 1 1 125 125 ILE CA C 13 60.053 0.05 . 1 . . . . . . . . 5261 1 1457 . 1 1 125 125 ILE HA H 1 4.838 0.03 . 1 . . . . . . . . 5261 1 1458 . 1 1 125 125 ILE CB C 13 42.321 0.05 . 1 . . . . . . . . 5261 1 1459 . 1 1 125 125 ILE HB H 1 1.678 0.03 . 1 . . . . . . . . 5261 1 1460 . 1 1 125 125 ILE CG1 C 13 27.690 0.05 . 1 . . . . . . . . 5261 1 1461 . 1 1 125 125 ILE HG13 H 1 0.872 0.03 . 1 . . . . . . . . 5261 1 1462 . 1 1 125 125 ILE HG12 H 1 0.872 0.03 . 1 . . . . . . . . 5261 1 1463 . 1 1 125 125 ILE CD1 C 13 16.299 0.05 . 1 . . . . . . . . 5261 1 1464 . 1 1 125 125 ILE HD11 H 1 0.656 0.03 . 1 . . . . . . . . 5261 1 1465 . 1 1 125 125 ILE HD12 H 1 0.656 0.03 . 1 . . . . . . . . 5261 1 1466 . 1 1 125 125 ILE HD13 H 1 0.656 0.03 . 1 . . . . . . . . 5261 1 1467 . 1 1 125 125 ILE CG2 C 13 19.043 0.05 . 1 . . . . . . . . 5261 1 1468 . 1 1 125 125 ILE HG21 H 1 0.871 0.03 . 1 . . . . . . . . 5261 1 1469 . 1 1 125 125 ILE HG22 H 1 0.871 0.03 . 1 . . . . . . . . 5261 1 1470 . 1 1 125 125 ILE HG23 H 1 0.871 0.03 . 1 . . . . . . . . 5261 1 1471 . 1 1 125 125 ILE C C 13 175.874 0.05 . 1 . . . . . . . . 5261 1 1472 . 1 1 126 126 GLY N N 15 112.513 0.05 . 1 . . . . . . . . 5261 1 1473 . 1 1 126 126 GLY H H 1 9.004 0.03 . 1 . . . . . . . . 5261 1 1474 . 1 1 126 126 GLY CA C 13 44.713 0.05 . 1 . . . . . . . . 5261 1 1475 . 1 1 126 126 GLY HA3 H 1 4.685 0.03 . 2 . . . . . . . . 5261 1 1476 . 1 1 126 126 GLY HA2 H 1 3.389 0.03 . 2 . . . . . . . . 5261 1 1477 . 1 1 126 126 GLY C C 13 169.622 0.05 . 1 . . . . . . . . 5261 1 1478 . 1 1 127 127 GLU N N 15 118.715 0.05 . 1 . . . . . . . . 5261 1 1479 . 1 1 127 127 GLU H H 1 8.592 0.03 . 1 . . . . . . . . 5261 1 1480 . 1 1 127 127 GLU CA C 13 54.217 0.05 . 1 . . . . . . . . 5261 1 1481 . 1 1 127 127 GLU HA H 1 5.279 0.03 . 1 . . . . . . . . 5261 1 1482 . 1 1 127 127 GLU CB C 13 31.964 0.05 . 1 . . . . . . . . 5261 1 1483 . 1 1 127 127 GLU HB3 H 1 1.976 0.03 . 2 . . . . . . . . 5261 1 1484 . 1 1 127 127 GLU HB2 H 1 1.865 0.03 . 2 . . . . . . . . 5261 1 1485 . 1 1 127 127 GLU CG C 13 35.491 0.05 . 1 . . . . . . . . 5261 1 1486 . 1 1 127 127 GLU HG3 H 1 2.305 0.03 . 2 . . . . . . . . 5261 1 1487 . 1 1 127 127 GLU HG2 H 1 2.163 0.03 . 2 . . . . . . . . 5261 1 1488 . 1 1 127 127 GLU C C 13 177.851 0.05 . 1 . . . . . . . . 5261 1 1489 . 1 1 128 128 THR N N 15 117.744 0.05 . 1 . . . . . . . . 5261 1 1490 . 1 1 128 128 THR H H 1 9.571 0.03 . 1 . . . . . . . . 5261 1 1491 . 1 1 128 128 THR CA C 13 59.759 0.05 . 1 . . . . . . . . 5261 1 1492 . 1 1 128 128 THR HA H 1 4.795 0.03 . 1 . . . . . . . . 5261 1 1493 . 1 1 128 128 THR CB C 13 68.142 0.05 . 1 . . . . . . . . 5261 1 1494 . 1 1 128 128 THR HB H 1 4.834 0.03 . 1 . . . . . . . . 5261 1 1495 . 1 1 129 129 PRO CA C 13 66.142 0.05 . 1 . . . . . . . . 5261 1 1496 . 1 1 129 129 PRO HA H 1 4.288 0.03 . 1 . . . . . . . . 5261 1 1497 . 1 1 129 129 PRO CB C 13 31.775 0.05 . 1 . . . . . . . . 5261 1 1498 . 1 1 129 129 PRO HB3 H 1 2.448 0.03 . 2 . . . . . . . . 5261 1 1499 . 1 1 129 129 PRO HB2 H 1 2.233 0.03 . 2 . . . . . . . . 5261 1 1500 . 1 1 129 129 PRO CG C 13 28.330 0.05 . 1 . . . . . . . . 5261 1 1501 . 1 1 129 129 PRO HG3 H 1 2.093 0.03 . 2 . . . . . . . . 5261 1 1502 . 1 1 129 129 PRO HG2 H 1 1.968 0.03 . 2 . . . . . . . . 5261 1 1503 . 1 1 129 129 PRO CD C 13 50.964 0.05 . 1 . . . . . . . . 5261 1 1504 . 1 1 129 129 PRO HD3 H 1 4.041 0.03 . 2 . . . . . . . . 5261 1 1505 . 1 1 129 129 PRO HD2 H 1 4.072 0.03 . 2 . . . . . . . . 5261 1 1506 . 1 1 129 129 PRO C C 13 177.451 0.05 . 1 . . . . . . . . 5261 1 1507 . 1 1 130 130 ALA N N 15 117.143 0.05 . 1 . . . . . . . . 5261 1 1508 . 1 1 130 130 ALA H H 1 8.307 0.03 . 1 . . . . . . . . 5261 1 1509 . 1 1 130 130 ALA CA C 13 52.857 0.05 . 1 . . . . . . . . 5261 1 1510 . 1 1 130 130 ALA HA H 1 4.252 0.03 . 1 . . . . . . . . 5261 1 1511 . 1 1 130 130 ALA CB C 13 18.823 0.05 . 1 . . . . . . . . 5261 1 1512 . 1 1 130 130 ALA HB1 H 1 1.455 0.03 . 1 . . . . . . . . 5261 1 1513 . 1 1 130 130 ALA HB2 H 1 1.455 0.03 . 1 . . . . . . . . 5261 1 1514 . 1 1 130 130 ALA HB3 H 1 1.455 0.03 . 1 . . . . . . . . 5261 1 1515 . 1 1 130 130 ALA C C 13 177.602 0.05 . 1 . . . . . . . . 5261 1 1516 . 1 1 131 131 GLY N N 15 106.106 0.05 . 1 . . . . . . . . 5261 1 1517 . 1 1 131 131 GLY H H 1 8.387 0.03 . 1 . . . . . . . . 5261 1 1518 . 1 1 131 131 GLY CA C 13 45.018 0.05 . 1 . . . . . . . . 5261 1 1519 . 1 1 131 131 GLY HA3 H 1 3.915 0.03 . 2 . . . . . . . . 5261 1 1520 . 1 1 131 131 GLY HA2 H 1 4.314 0.03 . 2 . . . . . . . . 5261 1 1521 . 1 1 131 131 GLY C C 13 173.878 0.05 . 1 . . . . . . . . 5261 1 1522 . 1 1 132 132 ASN N N 15 114.382 0.05 . 1 . . . . . . . . 5261 1 1523 . 1 1 132 132 ASN H H 1 7.275 0.03 . 1 . . . . . . . . 5261 1 1524 . 1 1 132 132 ASN CA C 13 51.695 0.05 . 1 . . . . . . . . 5261 1 1525 . 1 1 132 132 ASN HA H 1 5.650 0.03 . 1 . . . . . . . . 5261 1 1526 . 1 1 132 132 ASN CB C 13 43.137 0.05 . 1 . . . . . . . . 5261 1 1527 . 1 1 132 132 ASN HB3 H 1 3.053 0.03 . 2 . . . . . . . . 5261 1 1528 . 1 1 132 132 ASN HB2 H 1 2.093 0.03 . 2 . . . . . . . . 5261 1 1529 . 1 1 132 132 ASN ND2 N 15 109.047 0.05 . 1 . . . . . . . . 5261 1 1530 . 1 1 132 132 ASN HD21 H 1 7.976 0.03 . 2 . . . . . . . . 5261 1 1531 . 1 1 132 132 ASN HD22 H 1 6.982 0.03 . 2 . . . . . . . . 5261 1 1532 . 1 1 132 132 ASN C C 13 172.827 0.05 . 1 . . . . . . . . 5261 1 1533 . 1 1 133 133 LEU N N 15 118.301 0.05 . 1 . . . . . . . . 5261 1 1534 . 1 1 133 133 LEU H H 1 7.769 0.03 . 1 . . . . . . . . 5261 1 1535 . 1 1 133 133 LEU CA C 13 53.688 0.05 . 1 . . . . . . . . 5261 1 1536 . 1 1 133 133 LEU HA H 1 5.283 0.03 . 1 . . . . . . . . 5261 1 1537 . 1 1 133 133 LEU CB C 13 43.170 0.05 . 1 . . . . . . . . 5261 1 1538 . 1 1 133 133 LEU HB3 H 1 1.540 0.03 . 2 . . . . . . . . 5261 1 1539 . 1 1 133 133 LEU HB2 H 1 2.192 0.03 . 2 . . . . . . . . 5261 1 1540 . 1 1 133 133 LEU CG C 13 27.036 0.05 . 1 . . . . . . . . 5261 1 1541 . 1 1 133 133 LEU HG H 1 1.180 0.03 . 1 . . . . . . . . 5261 1 1542 . 1 1 133 133 LEU CD1 C 13 23.198 0.05 . 2 . . . . . . . . 5261 1 1543 . 1 1 133 133 LEU HD11 H 1 0.712 0.03 . 2 . . . . . . . . 5261 1 1544 . 1 1 133 133 LEU HD12 H 1 0.712 0.03 . 2 . . . . . . . . 5261 1 1545 . 1 1 133 133 LEU HD13 H 1 0.712 0.03 . 2 . . . . . . . . 5261 1 1546 . 1 1 133 133 LEU CD2 C 13 26.200 0.05 . 2 . . . . . . . . 5261 1 1547 . 1 1 133 133 LEU HD21 H 1 1.011 0.03 . 2 . . . . . . . . 5261 1 1548 . 1 1 133 133 LEU HD22 H 1 1.011 0.03 . 2 . . . . . . . . 5261 1 1549 . 1 1 133 133 LEU HD23 H 1 1.011 0.03 . 2 . . . . . . . . 5261 1 1550 . 1 1 133 133 LEU C C 13 174.383 0.05 . 1 . . . . . . . . 5261 1 1551 . 1 1 134 134 ALA N N 15 123.224 0.05 . 1 . . . . . . . . 5261 1 1552 . 1 1 134 134 ALA H H 1 8.596 0.03 . 1 . . . . . . . . 5261 1 1553 . 1 1 134 134 ALA CA C 13 50.245 0.05 . 1 . . . . . . . . 5261 1 1554 . 1 1 134 134 ALA HA H 1 4.132 0.03 . 1 . . . . . . . . 5261 1 1555 . 1 1 134 134 ALA CB C 13 23.507 0.05 . 1 . . . . . . . . 5261 1 1556 . 1 1 134 134 ALA HB1 H 1 1.009 0.03 . 1 . . . . . . . . 5261 1 1557 . 1 1 134 134 ALA HB2 H 1 1.009 0.03 . 1 . . . . . . . . 5261 1 1558 . 1 1 134 134 ALA HB3 H 1 1.009 0.03 . 1 . . . . . . . . 5261 1 1559 . 1 1 134 134 ALA C C 13 173.452 0.05 . 1 . . . . . . . . 5261 1 1560 . 1 1 135 135 GLY N N 15 130.903 0.05 . 1 . . . . . . . . 5261 1 1561 . 1 1 135 135 GLY H H 1 6.783 0.03 . 1 . . . . . . . . 5261 1 1562 . 1 1 135 135 GLY CA C 13 45.491 0.05 . 1 . . . . . . . . 5261 1 1563 . 1 1 135 135 GLY HA3 H 1 4.903 0.03 . 2 . . . . . . . . 5261 1 1564 . 1 1 135 135 GLY HA2 H 1 2.909 0.03 . 2 . . . . . . . . 5261 1 1565 . 1 1 135 135 GLY C C 13 171.922 0.05 . 1 . . . . . . . . 5261 1 1566 . 1 1 136 136 ILE N N 15 110.167 0.05 . 1 . . . . . . . . 5261 1 1567 . 1 1 136 136 ILE H H 1 7.831 0.03 . 1 . . . . . . . . 5261 1 1568 . 1 1 136 136 ILE CA C 13 57.993 0.05 . 1 . . . . . . . . 5261 1 1569 . 1 1 136 136 ILE HA H 1 5.687 0.03 . 1 . . . . . . . . 5261 1 1570 . 1 1 136 136 ILE CB C 13 42.566 0.05 . 1 . . . . . . . . 5261 1 1571 . 1 1 136 136 ILE HB H 1 1.901 0.03 . 1 . . . . . . . . 5261 1 1572 . 1 1 136 136 ILE CG1 C 13 25.485 0.05 . 1 . . . . . . . . 5261 1 1573 . 1 1 136 136 ILE HG13 H 1 0.898 0.03 . 2 . . . . . . . . 5261 1 1574 . 1 1 136 136 ILE HG12 H 1 0.901 0.03 . 2 . . . . . . . . 5261 1 1575 . 1 1 136 136 ILE CD1 C 13 15.030 0.05 . 1 . . . . . . . . 5261 1 1576 . 1 1 136 136 ILE HD11 H 1 0.361 0.03 . 1 . . . . . . . . 5261 1 1577 . 1 1 136 136 ILE HD12 H 1 0.361 0.03 . 1 . . . . . . . . 5261 1 1578 . 1 1 136 136 ILE HD13 H 1 0.361 0.03 . 1 . . . . . . . . 5261 1 1579 . 1 1 136 136 ILE CG2 C 13 18.368 0.05 . 1 . . . . . . . . 5261 1 1580 . 1 1 136 136 ILE HG21 H 1 0.746 0.03 . 1 . . . . . . . . 5261 1 1581 . 1 1 136 136 ILE HG22 H 1 0.746 0.03 . 1 . . . . . . . . 5261 1 1582 . 1 1 136 136 ILE HG23 H 1 0.746 0.03 . 1 . . . . . . . . 5261 1 1583 . 1 1 136 136 ILE C C 13 173.888 0.05 . 1 . . . . . . . . 5261 1 1584 . 1 1 137 137 SER N N 15 118.731 0.05 . 1 . . . . . . . . 5261 1 1585 . 1 1 137 137 SER H H 1 10.000 0.03 . 1 . . . . . . . . 5261 1 1586 . 1 1 137 137 SER CA C 13 55.703 0.05 . 1 . . . . . . . . 5261 1 1587 . 1 1 137 137 SER HA H 1 5.727 0.03 . 1 . . . . . . . . 5261 1 1588 . 1 1 137 137 SER CB C 13 68.065 0.05 . 1 . . . . . . . . 5261 1 1589 . 1 1 137 137 SER HB3 H 1 3.593 0.03 . 2 . . . . . . . . 5261 1 1590 . 1 1 137 137 SER HB2 H 1 3.474 0.03 . 2 . . . . . . . . 5261 1 1591 . 1 1 137 137 SER C C 13 173.299 0.05 . 1 . . . . . . . . 5261 1 1592 . 1 1 138 138 THR N N 15 114.780 0.05 . 1 . . . . . . . . 5261 1 1593 . 1 1 138 138 THR H H 1 8.803 0.03 . 1 . . . . . . . . 5261 1 1594 . 1 1 138 138 THR CA C 13 60.065 0.05 . 1 . . . . . . . . 5261 1 1595 . 1 1 138 138 THR HA H 1 4.662 0.03 . 1 . . . . . . . . 5261 1 1596 . 1 1 138 138 THR CB C 13 68.562 0.05 . 1 . . . . . . . . 5261 1 1597 . 1 1 138 138 THR HB H 1 3.793 0.03 . 1 . . . . . . . . 5261 1 1598 . 1 1 138 138 THR CG2 C 13 16.503 0.05 . 1 . . . . . . . . 5261 1 1599 . 1 1 138 138 THR HG21 H 1 0.503 0.03 . 1 . . . . . . . . 5261 1 1600 . 1 1 138 138 THR HG22 H 1 0.503 0.03 . 1 . . . . . . . . 5261 1 1601 . 1 1 138 138 THR HG23 H 1 0.503 0.03 . 1 . . . . . . . . 5261 1 1602 . 1 1 138 138 THR C C 13 172.664 0.05 . 1 . . . . . . . . 5261 1 1603 . 1 1 139 139 LYS N N 15 123.088 0.05 . 1 . . . . . . . . 5261 1 1604 . 1 1 139 139 LYS H H 1 8.538 0.03 . 1 . . . . . . . . 5261 1 1605 . 1 1 139 139 LYS CA C 13 54.617 0.05 . 1 . . . . . . . . 5261 1 1606 . 1 1 139 139 LYS HA H 1 5.176 0.03 . 1 . . . . . . . . 5261 1 1607 . 1 1 139 139 LYS CB C 13 35.423 0.05 . 1 . . . . . . . . 5261 1 1608 . 1 1 139 139 LYS HB3 H 1 1.153 0.03 . 1 . . . . . . . . 5261 1 1609 . 1 1 139 139 LYS HB2 H 1 1.153 0.03 . 1 . . . . . . . . 5261 1 1610 . 1 1 139 139 LYS CG C 13 25.138 0.05 . 1 . . . . . . . . 5261 1 1611 . 1 1 139 139 LYS HG3 H 1 0.277 0.03 . 1 . . . . . . . . 5261 1 1612 . 1 1 139 139 LYS HG2 H 1 0.277 0.03 . 1 . . . . . . . . 5261 1 1613 . 1 1 139 139 LYS CD C 13 29.275 0.05 . 1 . . . . . . . . 5261 1 1614 . 1 1 139 139 LYS HD3 H 1 0.960 0.03 . 1 . . . . . . . . 5261 1 1615 . 1 1 139 139 LYS HD2 H 1 0.960 0.03 . 1 . . . . . . . . 5261 1 1616 . 1 1 139 139 LYS CE C 13 42.196 0.05 . 1 . . . . . . . . 5261 1 1617 . 1 1 139 139 LYS HE3 H 1 2.703 0.03 . 2 . . . . . . . . 5261 1 1618 . 1 1 139 139 LYS HE2 H 1 2.729 0.03 . 2 . . . . . . . . 5261 1 1619 . 1 1 139 139 LYS C C 13 174.206 0.05 . 1 . . . . . . . . 5261 1 1620 . 1 1 140 140 VAL N N 15 117.995 0.05 . 1 . . . . . . . . 5261 1 1621 . 1 1 140 140 VAL H H 1 8.329 0.03 . 1 . . . . . . . . 5261 1 1622 . 1 1 140 140 VAL CA C 13 60.426 0.05 . 1 . . . . . . . . 5261 1 1623 . 1 1 140 140 VAL HA H 1 4.244 0.03 . 1 . . . . . . . . 5261 1 1624 . 1 1 140 140 VAL CB C 13 37.274 0.05 . 1 . . . . . . . . 5261 1 1625 . 1 1 140 140 VAL HB H 1 1.799 0.03 . 1 . . . . . . . . 5261 1 1626 . 1 1 140 140 VAL CG2 C 13 22.372 0.05 . 2 . . . . . . . . 5261 1 1627 . 1 1 140 140 VAL HG21 H 1 0.909 0.03 . 2 . . . . . . . . 5261 1 1628 . 1 1 140 140 VAL HG22 H 1 0.909 0.03 . 2 . . . . . . . . 5261 1 1629 . 1 1 140 140 VAL HG23 H 1 0.909 0.03 . 2 . . . . . . . . 5261 1 1630 . 1 1 140 140 VAL CG1 C 13 23.116 0.05 . 2 . . . . . . . . 5261 1 1631 . 1 1 140 140 VAL HG11 H 1 1.000 0.03 . 2 . . . . . . . . 5261 1 1632 . 1 1 140 140 VAL HG12 H 1 1.000 0.03 . 2 . . . . . . . . 5261 1 1633 . 1 1 140 140 VAL HG13 H 1 1.000 0.03 . 2 . . . . . . . . 5261 1 1634 . 1 1 140 140 VAL C C 13 173.465 0.05 . 1 . . . . . . . . 5261 1 1635 . 1 1 141 141 VAL N N 15 125.628 0.05 . 1 . . . . . . . . 5261 1 1636 . 1 1 141 141 VAL H H 1 8.759 0.03 . 1 . . . . . . . . 5261 1 1637 . 1 1 141 141 VAL CA C 13 61.649 0.05 . 1 . . . . . . . . 5261 1 1638 . 1 1 141 141 VAL HA H 1 5.003 0.03 . 1 . . . . . . . . 5261 1 1639 . 1 1 141 141 VAL CB C 13 34.109 0.05 . 1 . . . . . . . . 5261 1 1640 . 1 1 141 141 VAL HB H 1 1.799 0.03 . 1 . . . . . . . . 5261 1 1641 . 1 1 141 141 VAL CG2 C 13 21.975 0.05 . 2 . . . . . . . . 5261 1 1642 . 1 1 141 141 VAL HG21 H 1 1.023 0.03 . 2 . . . . . . . . 5261 1 1643 . 1 1 141 141 VAL HG22 H 1 1.023 0.03 . 2 . . . . . . . . 5261 1 1644 . 1 1 141 141 VAL HG23 H 1 1.023 0.03 . 2 . . . . . . . . 5261 1 1645 . 1 1 141 141 VAL CG1 C 13 21.211 0.05 . 2 . . . . . . . . 5261 1 1646 . 1 1 141 141 VAL HG11 H 1 0.920 0.03 . 2 . . . . . . . . 5261 1 1647 . 1 1 141 141 VAL HG12 H 1 0.920 0.03 . 2 . . . . . . . . 5261 1 1648 . 1 1 141 141 VAL HG13 H 1 0.920 0.03 . 2 . . . . . . . . 5261 1 1649 . 1 1 141 141 VAL C C 13 175.092 0.05 . 1 . . . . . . . . 5261 1 1650 . 1 1 142 142 GLU N N 15 127.438 0.05 . 1 . . . . . . . . 5261 1 1651 . 1 1 142 142 GLU H H 1 8.828 0.03 . 1 . . . . . . . . 5261 1 1652 . 1 1 142 142 GLU CA C 13 55.430 0.05 . 1 . . . . . . . . 5261 1 1653 . 1 1 142 142 GLU HA H 1 4.628 0.03 . 1 . . . . . . . . 5261 1 1654 . 1 1 142 142 GLU CB C 13 32.538 0.05 . 1 . . . . . . . . 5261 1 1655 . 1 1 142 142 GLU HB3 H 1 2.040 0.03 . 2 . . . . . . . . 5261 1 1656 . 1 1 142 142 GLU HB2 H 1 1.861 0.03 . 2 . . . . . . . . 5261 1 1657 . 1 1 142 142 GLU CG C 13 36.340 0.05 . 1 . . . . . . . . 5261 1 1658 . 1 1 142 142 GLU HG3 H 1 2.159 0.03 . 2 . . . . . . . . 5261 1 1659 . 1 1 142 142 GLU HG2 H 1 2.219 0.03 . 2 . . . . . . . . 5261 1 1660 . 1 1 142 142 GLU C C 13 174.417 0.05 . 1 . . . . . . . . 5261 1 1661 . 1 1 143 143 THR N N 15 121.316 0.05 . 1 . . . . . . . . 5261 1 1662 . 1 1 143 143 THR H H 1 8.203 0.03 . 1 . . . . . . . . 5261 1 1663 . 1 1 143 143 THR CA C 13 63.640 0.05 . 1 . . . . . . . . 5261 1 1664 . 1 1 143 143 THR HA H 1 4.706 0.03 . 1 . . . . . . . . 5261 1 1665 . 1 1 143 143 THR CB C 13 70.587 0.05 . 1 . . . . . . . . 5261 1 1666 . 1 1 143 143 THR HB H 1 4.217 0.03 . 1 . . . . . . . . 5261 1 stop_ save_