data_15941 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15941 _Entry.Title ; Solution structure of a zinc-binding methionine sulfoxide reductase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-05 _Entry.Accession_date 2008-09-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michela Carella . . . 15941 2 Oliver Ohlenschlager . . . 15941 3 Matthias Gorlach . . . 15941 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15941 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MSRB . 15941 Reductase . 15941 Thermophilic . 15941 'Zn binding' . 15941 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15941 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 556 15941 '15N chemical shifts' 134 15941 '1H chemical shifts' 904 15941 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 3 . . 2011-05-19 2008-09-05 update BMRB 'update entry citation, and atom nomenclature in cs table' 15941 2 . . 2010-01-20 2008-09-05 update author 'update chemical shift table' 15941 1 . . 2009-10-13 2008-09-05 original author 'original release' 15941 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K8D 'BMRB Entry Tracking System' 15941 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15941 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21219456 _Citation.Full_citation . _Citation.Title 'Structure-function relationship in an archaebacterial methionine sulphoxide reductase B.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full 'Molecular microbiology' _Citation.Journal_volume 79 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 342 _Citation.Page_last 358 _Citation.Year 2011 _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 Michela Carella . . . 15941 1 2 Juliane Becher . . . 15941 1 3 Oliver Ohlenschlager . . . 15941 1 4 Ramadurai Ramachandran . . . 15941 1 5 Karl-Heinz Guhrs . . . 15941 1 6 Gerd Wellenreuther . . . 15941 1 7 Wolfram Meyer-Klaucke . . . 15941 1 8 Stefan Heinemann . H. . 15941 1 9 Matthias Gorlach . . . 15941 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15941 _Assembly.ID 1 _Assembly.Name 'Methionine Sulfoxide Reductase' _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 . _Assembly.Molecular_mass 17364 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit 1' 1 $msrb A . yes native no no . . . 15941 1 2 'subunit 2' 2 $ZN B . yes n.a. no no . . . 15941 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_msrb _Entity.Sf_category entity _Entity.Sf_framecode msrb _Entity.Entry_ID 15941 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name msrb _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMKDRIPIFSVAKNRVEM VERIELSDDEWREILDPEAF RVARKAGTEPPFTGKYHDLH DDGIYRCICCGTDLFDSETK FDSGTGWPSFYDVVSEHNIK LREDRSLGMVRCEVLCARCD AHLGHVFDDGPRPTGKRYCM NSAALKFIPRDQIG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1, G non-native residue; 2, S non-native residue; 3, H non-native residue; 4, M native start; 154, G native end. ; _Entity.Polymer_author_seq_details 'amino acids 1-3 represent non-native residues derived from the vector sequence' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SWS O26807 . msrb . . . . . . . . . . . . . . 15941 1 2 no PDB 2K8D . "Solution Structure Of A Zinc-binding Methionine Sulfoxide Reductase" . . . . . 98.05 151 100.00 100.00 8.90e-107 . . . . 15941 1 3 no DBJ BAM69888 . "methionine sulfoxide reductase B [Methanothermobacter sp. CaT2]" . . . . . 98.05 151 100.00 100.00 8.90e-107 . . . . 15941 1 4 no GB AAB85216 . "transcriptional regulator [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 98.05 151 100.00 100.00 8.90e-107 . . . . 15941 1 5 no REF WP_010876350 . "MULTISPECIES: peptide-methionine (R)-S-oxide reductase [Methanothermobacter]" . . . . . 98.05 151 100.00 100.00 8.90e-107 . . . . 15941 1 6 no SP O26807 . "RecName: Full=Peptide methionine sulfoxide reductase MsrB; AltName: Full=Peptide-methionine (R)-S-oxide reductase" . . . . . 98.05 151 100.00 100.00 8.90e-107 . . . . 15941 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Methionine-(R)-Sulfoxide-Reductase 15941 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15941 1 2 . SER . 15941 1 3 . HIS . 15941 1 4 . MET . 15941 1 5 . LYS . 15941 1 6 . ASP . 15941 1 7 . ARG . 15941 1 8 . ILE . 15941 1 9 . PRO . 15941 1 10 . ILE . 15941 1 11 . PHE . 15941 1 12 . SER . 15941 1 13 . VAL . 15941 1 14 . ALA . 15941 1 15 . LYS . 15941 1 16 . ASN . 15941 1 17 . ARG . 15941 1 18 . VAL . 15941 1 19 . GLU . 15941 1 20 . MET . 15941 1 21 . VAL . 15941 1 22 . GLU . 15941 1 23 . ARG . 15941 1 24 . ILE . 15941 1 25 . GLU . 15941 1 26 . LEU . 15941 1 27 . SER . 15941 1 28 . ASP . 15941 1 29 . ASP . 15941 1 30 . GLU . 15941 1 31 . TRP . 15941 1 32 . ARG . 15941 1 33 . GLU . 15941 1 34 . ILE . 15941 1 35 . LEU . 15941 1 36 . ASP . 15941 1 37 . PRO . 15941 1 38 . GLU . 15941 1 39 . ALA . 15941 1 40 . PHE . 15941 1 41 . ARG . 15941 1 42 . VAL . 15941 1 43 . ALA . 15941 1 44 . ARG . 15941 1 45 . LYS . 15941 1 46 . ALA . 15941 1 47 . GLY . 15941 1 48 . THR . 15941 1 49 . GLU . 15941 1 50 . PRO . 15941 1 51 . PRO . 15941 1 52 . PHE . 15941 1 53 . THR . 15941 1 54 . GLY . 15941 1 55 . LYS . 15941 1 56 . TYR . 15941 1 57 . HIS . 15941 1 58 . ASP . 15941 1 59 . LEU . 15941 1 60 . HIS . 15941 1 61 . ASP . 15941 1 62 . ASP . 15941 1 63 . GLY . 15941 1 64 . ILE . 15941 1 65 . TYR . 15941 1 66 . ARG . 15941 1 67 . CYS . 15941 1 68 . ILE . 15941 1 69 . CYS . 15941 1 70 . CYS . 15941 1 71 . GLY . 15941 1 72 . THR . 15941 1 73 . ASP . 15941 1 74 . LEU . 15941 1 75 . PHE . 15941 1 76 . ASP . 15941 1 77 . SER . 15941 1 78 . GLU . 15941 1 79 . THR . 15941 1 80 . LYS . 15941 1 81 . PHE . 15941 1 82 . ASP . 15941 1 83 . SER . 15941 1 84 . GLY . 15941 1 85 . THR . 15941 1 86 . GLY . 15941 1 87 . TRP . 15941 1 88 . PRO . 15941 1 89 . SER . 15941 1 90 . PHE . 15941 1 91 . TYR . 15941 1 92 . ASP . 15941 1 93 . VAL . 15941 1 94 . VAL . 15941 1 95 . SER . 15941 1 96 . GLU . 15941 1 97 . HIS . 15941 1 98 . ASN . 15941 1 99 . ILE . 15941 1 100 . LYS . 15941 1 101 . LEU . 15941 1 102 . ARG . 15941 1 103 . GLU . 15941 1 104 . ASP . 15941 1 105 . ARG . 15941 1 106 . SER . 15941 1 107 . LEU . 15941 1 108 . GLY . 15941 1 109 . MET . 15941 1 110 . VAL . 15941 1 111 . ARG . 15941 1 112 . CYS . 15941 1 113 . GLU . 15941 1 114 . VAL . 15941 1 115 . LEU . 15941 1 116 . CYS . 15941 1 117 . ALA . 15941 1 118 . ARG . 15941 1 119 . CYS . 15941 1 120 . ASP . 15941 1 121 . ALA . 15941 1 122 . HIS . 15941 1 123 . LEU . 15941 1 124 . GLY . 15941 1 125 . HIS . 15941 1 126 . VAL . 15941 1 127 . PHE . 15941 1 128 . ASP . 15941 1 129 . ASP . 15941 1 130 . GLY . 15941 1 131 . PRO . 15941 1 132 . ARG . 15941 1 133 . PRO . 15941 1 134 . THR . 15941 1 135 . GLY . 15941 1 136 . LYS . 15941 1 137 . ARG . 15941 1 138 . TYR . 15941 1 139 . CYS . 15941 1 140 . MET . 15941 1 141 . ASN . 15941 1 142 . SER . 15941 1 143 . ALA . 15941 1 144 . ALA . 15941 1 145 . LEU . 15941 1 146 . LYS . 15941 1 147 . PHE . 15941 1 148 . ILE . 15941 1 149 . PRO . 15941 1 150 . ARG . 15941 1 151 . ASP . 15941 1 152 . GLN . 15941 1 153 . ILE . 15941 1 154 . GLY . 15941 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15941 1 . SER 2 2 15941 1 . HIS 3 3 15941 1 . MET 4 4 15941 1 . LYS 5 5 15941 1 . ASP 6 6 15941 1 . ARG 7 7 15941 1 . ILE 8 8 15941 1 . PRO 9 9 15941 1 . ILE 10 10 15941 1 . PHE 11 11 15941 1 . SER 12 12 15941 1 . VAL 13 13 15941 1 . ALA 14 14 15941 1 . LYS 15 15 15941 1 . ASN 16 16 15941 1 . ARG 17 17 15941 1 . VAL 18 18 15941 1 . GLU 19 19 15941 1 . MET 20 20 15941 1 . VAL 21 21 15941 1 . GLU 22 22 15941 1 . ARG 23 23 15941 1 . ILE 24 24 15941 1 . GLU 25 25 15941 1 . LEU 26 26 15941 1 . SER 27 27 15941 1 . ASP 28 28 15941 1 . ASP 29 29 15941 1 . GLU 30 30 15941 1 . TRP 31 31 15941 1 . ARG 32 32 15941 1 . GLU 33 33 15941 1 . ILE 34 34 15941 1 . LEU 35 35 15941 1 . ASP 36 36 15941 1 . PRO 37 37 15941 1 . GLU 38 38 15941 1 . ALA 39 39 15941 1 . PHE 40 40 15941 1 . ARG 41 41 15941 1 . VAL 42 42 15941 1 . ALA 43 43 15941 1 . ARG 44 44 15941 1 . LYS 45 45 15941 1 . ALA 46 46 15941 1 . GLY 47 47 15941 1 . THR 48 48 15941 1 . GLU 49 49 15941 1 . PRO 50 50 15941 1 . PRO 51 51 15941 1 . PHE 52 52 15941 1 . THR 53 53 15941 1 . GLY 54 54 15941 1 . LYS 55 55 15941 1 . TYR 56 56 15941 1 . HIS 57 57 15941 1 . ASP 58 58 15941 1 . LEU 59 59 15941 1 . HIS 60 60 15941 1 . ASP 61 61 15941 1 . ASP 62 62 15941 1 . GLY 63 63 15941 1 . ILE 64 64 15941 1 . TYR 65 65 15941 1 . ARG 66 66 15941 1 . CYS 67 67 15941 1 . ILE 68 68 15941 1 . CYS 69 69 15941 1 . CYS 70 70 15941 1 . GLY 71 71 15941 1 . THR 72 72 15941 1 . ASP 73 73 15941 1 . LEU 74 74 15941 1 . PHE 75 75 15941 1 . ASP 76 76 15941 1 . SER 77 77 15941 1 . GLU 78 78 15941 1 . THR 79 79 15941 1 . LYS 80 80 15941 1 . PHE 81 81 15941 1 . ASP 82 82 15941 1 . SER 83 83 15941 1 . GLY 84 84 15941 1 . THR 85 85 15941 1 . GLY 86 86 15941 1 . TRP 87 87 15941 1 . PRO 88 88 15941 1 . SER 89 89 15941 1 . PHE 90 90 15941 1 . TYR 91 91 15941 1 . ASP 92 92 15941 1 . VAL 93 93 15941 1 . VAL 94 94 15941 1 . SER 95 95 15941 1 . GLU 96 96 15941 1 . HIS 97 97 15941 1 . ASN 98 98 15941 1 . ILE 99 99 15941 1 . LYS 100 100 15941 1 . LEU 101 101 15941 1 . ARG 102 102 15941 1 . GLU 103 103 15941 1 . ASP 104 104 15941 1 . ARG 105 105 15941 1 . SER 106 106 15941 1 . LEU 107 107 15941 1 . GLY 108 108 15941 1 . MET 109 109 15941 1 . VAL 110 110 15941 1 . ARG 111 111 15941 1 . CYS 112 112 15941 1 . GLU 113 113 15941 1 . VAL 114 114 15941 1 . LEU 115 115 15941 1 . CYS 116 116 15941 1 . ALA 117 117 15941 1 . ARG 118 118 15941 1 . CYS 119 119 15941 1 . ASP 120 120 15941 1 . ALA 121 121 15941 1 . HIS 122 122 15941 1 . LEU 123 123 15941 1 . GLY 124 124 15941 1 . HIS 125 125 15941 1 . VAL 126 126 15941 1 . PHE 127 127 15941 1 . ASP 128 128 15941 1 . ASP 129 129 15941 1 . GLY 130 130 15941 1 . PRO 131 131 15941 1 . ARG 132 132 15941 1 . PRO 133 133 15941 1 . THR 134 134 15941 1 . GLY 135 135 15941 1 . LYS 136 136 15941 1 . ARG 137 137 15941 1 . TYR 138 138 15941 1 . CYS 139 139 15941 1 . MET 140 140 15941 1 . ASN 141 141 15941 1 . SER 142 142 15941 1 . ALA 143 143 15941 1 . ALA 144 144 15941 1 . LEU 145 145 15941 1 . LYS 146 146 15941 1 . PHE 147 147 15941 1 . ILE 148 148 15941 1 . PRO 149 149 15941 1 . ARG 150 150 15941 1 . ASP 151 151 15941 1 . GLN 152 152 15941 1 . ILE 153 153 15941 1 . GLY 154 154 15941 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15941 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ZN . 15941 2 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 15941 _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 $msrb . 145262 organism . 'Methanothermobacter thermautotrophicus' 'Methanothermobacter thermautotrophicus' . . Archaea . Methanothermobacter thermautotrophicus 'Delta H' . . . . . . . . . . . . . . . MTH711 . ; Organism alternative designation: Methanothermobacter thermolithotrophicus; Source: Archaea Centre Univ. Regensburg, Germany ; . . 15941 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 15941 _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 $msrb . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . . . . pET15b . . . . . . 15941 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15941 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code ZN _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.01 15941 ZN [Zn++] SMILES CACTVS 3.341 15941 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15941 ZN [Zn+2] SMILES ACDLabs 10.04 15941 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15941 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15941 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 15941 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15941 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15941 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15941 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 msrb [U-15N] 1 $assembly . . . . 1.2 . . mM . . . . 15941 1 2 Na-phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 15941 1 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 15941 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 15941 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15941 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 msrb '[U-13C; U-15N]' 1 $assembly . . . . 1.2 . . mM . . . . 15941 2 2 Na-phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 15941 2 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 15941 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 15941 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15941 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 40 . mM 15941 1 pH 7.2 . pH 15941 1 pressure 1 . atm 15941 1 temperature 318 . K 15941 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15941 _Software.ID 1 _Software.Name VNMR _Software.Version '6.1 rev. C' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15941 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15941 1 processing 15941 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15941 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15941 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15941 2 'peak picking' 15941 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 15941 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 15941 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15941 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 15941 _Software.ID 4 _Software.Name OPAL _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 15941 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15941 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15941 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15941 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15941 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15941 1 2 spectrometer_2 Varian INOVA . 750 . . . 15941 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 15941 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using heteronuclear triple resonance NMR spectroscopy' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 4 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15941 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15941 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane carbon . . . . ppm 67.83 internal direct 1.0 . . . . . . . . . 15941 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 15941 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 24.93 internal direct 1.0 . . . . . . . . . 15941 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15941 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15941 1 2 '3D HNCACB' . . . 15941 1 7 '3D HCCH-TOCSY' . . . 15941 1 10 '3D HNCO' . . . 15941 1 11 '2D 1H-13C HSQC' . . . 15941 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $XEASY . . 15941 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 5 5 LYS CD C 13 31.476 0.3 . 1 . . . . 5 K CD . 15941 1 2 . 1 1 5 5 LYS CE C 13 40.738 0.3 . 1 . . . . 5 K CE . 15941 1 3 . 1 1 5 5 LYS CG C 13 22.938 0.3 . 1 . . . . 5 K CG . 15941 1 4 . 1 1 5 5 LYS HA H 1 4.330 0.02 . 1 . . . . 5 K HA . 15941 1 5 . 1 1 5 5 LYS HB2 H 1 2.058 0.02 . 2 . . . . 5 K HB2 . 15941 1 6 . 1 1 5 5 LYS HB3 H 1 1.968 0.02 . 2 . . . . 5 K HB3 . 15941 1 7 . 1 1 5 5 LYS HD2 H 1 2.121 0.02 . 2 . . . . 5 K HD2 . 15941 1 8 . 1 1 5 5 LYS HD3 H 1 1.950 0.02 . 2 . . . . 5 K HD3 . 15941 1 9 . 1 1 5 5 LYS HE2 H 1 3.123 0.02 . 1 . . . . 5 K HE . 15941 1 10 . 1 1 5 5 LYS HE3 H 1 3.123 0.02 . 1 . . . . 5 K HE . 15941 1 11 . 1 1 5 5 LYS HG2 H 1 2.056 0.02 . 2 . . . . 5 K HG2 . 15941 1 12 . 1 1 5 5 LYS HG3 H 1 1.941 0.02 . 2 . . . . 5 K HG3 . 15941 1 13 . 1 1 6 6 ASP C C 13 174.402 0.3 . 1 . . . . 6 D C . 15941 1 14 . 1 1 6 6 ASP CA C 13 52.879 0.3 . 1 . . . . 6 D CA . 15941 1 15 . 1 1 6 6 ASP CB C 13 39.485 0.3 . 1 . . . . 6 D CB . 15941 1 16 . 1 1 6 6 ASP H H 1 8.262 0.02 . 1 . . . . 6 D H . 15941 1 17 . 1 1 6 6 ASP HA H 1 4.570 0.02 . 1 . . . . 6 D HA . 15941 1 18 . 1 1 6 6 ASP HB2 H 1 2.699 0.02 . 2 . . . . 6 D HB2 . 15941 1 19 . 1 1 6 6 ASP HB3 H 1 2.616 0.02 . 2 . . . . 6 D HB3 . 15941 1 20 . 1 1 6 6 ASP N N 15 122.526 0.3 . 1 . . . . 6 D N . 15941 1 21 . 1 1 7 7 ARG C C 13 174.022 0.3 . 1 . . . . 7 R C . 15941 1 22 . 1 1 7 7 ARG CA C 13 53.308 0.3 . 1 . . . . 7 R CA . 15941 1 23 . 1 1 7 7 ARG CB C 13 31.383 0.3 . 1 . . . . 7 R CB . 15941 1 24 . 1 1 7 7 ARG CD C 13 41.810 0.3 . 1 . . . . 7 R CD . 15941 1 25 . 1 1 7 7 ARG CG C 13 26.431 0.3 . 1 . . . . 7 R CG . 15941 1 26 . 1 1 7 7 ARG H H 1 7.949 0.02 . 1 . . . . 7 R H . 15941 1 27 . 1 1 7 7 ARG HA H 1 4.785 0.02 . 1 . . . . 7 R HA . 15941 1 28 . 1 1 7 7 ARG HB2 H 1 1.601 0.02 . 2 . . . . 7 R HB2 . 15941 1 29 . 1 1 7 7 ARG HB3 H 1 1.379 0.02 . 2 . . . . 7 R HB3 . 15941 1 30 . 1 1 7 7 ARG HD2 H 1 2.966 0.02 . 2 . . . . 7 R QD . 15941 1 31 . 1 1 7 7 ARG HD3 H 1 2.966 0.02 . 2 . . . . 7 R QD . 15941 1 32 . 1 1 7 7 ARG HG2 H 1 1.262 0.02 . 2 . . . . 7 R QG . 15941 1 33 . 1 1 7 7 ARG HG3 H 1 1.262 0.02 . 2 . . . . 7 R QG . 15941 1 34 . 1 1 7 7 ARG N N 15 121.385 0.3 . 1 . . . . 7 R N . 15941 1 35 . 1 1 8 8 ILE CA C 13 55.990 0.3 . 1 . . . . 8 I CA . 15941 1 36 . 1 1 8 8 ILE CB C 13 38.200 0.3 . 1 . . . . 8 I CB . 15941 1 37 . 1 1 8 8 ILE CG1 C 13 23.137 0.3 . 1 . . . . 8 I CG1 . 15941 1 38 . 1 1 8 8 ILE CG2 C 13 16.551 0.3 . 1 . . . . 8 I CG2 . 15941 1 39 . 1 1 8 8 ILE H H 1 9.162 0.02 . 1 . . . . 8 I H . 15941 1 40 . 1 1 8 8 ILE HA H 1 4.838 0.02 . 1 . . . . 8 I HA . 15941 1 41 . 1 1 8 8 ILE HB H 1 1.824 0.02 . 1 . . . . 8 I HB . 15941 1 42 . 1 1 8 8 ILE HD11 H 1 0.957 0.02 . 1 . . . . 8 I QD1 . 15941 1 43 . 1 1 8 8 ILE HD12 H 1 0.957 0.02 . 1 . . . . 8 I QD1 . 15941 1 44 . 1 1 8 8 ILE HD13 H 1 0.957 0.02 . 1 . . . . 8 I QD1 . 15941 1 45 . 1 1 8 8 ILE HG12 H 1 1.440 0.02 . 2 . . . . 8 I HG12 . 15941 1 46 . 1 1 8 8 ILE HG13 H 1 1.341 0.02 . 2 . . . . 8 I HG13 . 15941 1 47 . 1 1 8 8 ILE HG21 H 1 0.901 0.02 . 1 . . . . 8 I QG2 . 15941 1 48 . 1 1 8 8 ILE HG22 H 1 0.901 0.02 . 1 . . . . 8 I QG2 . 15941 1 49 . 1 1 8 8 ILE HG23 H 1 0.901 0.02 . 1 . . . . 8 I QG2 . 15941 1 50 . 1 1 8 8 ILE N N 15 117.659 0.3 . 1 . . . . 8 I N . 15941 1 51 . 1 1 9 9 PRO C C 13 175.250 0.3 . 1 . . . . 9 P C . 15941 1 52 . 1 1 9 9 PRO CA C 13 59.981 0.3 . 1 . . . . 9 P CA . 15941 1 53 . 1 1 9 9 PRO CB C 13 29.895 0.3 . 1 . . . . 9 P CB . 15941 1 54 . 1 1 9 9 PRO CD C 13 48.432 0.3 . 1 . . . . 9 P CD . 15941 1 55 . 1 1 9 9 PRO CG C 13 25.705 0.3 . 1 . . . . 9 P CG . 15941 1 56 . 1 1 9 9 PRO HA H 1 4.817 0.02 . 1 . . . . 9 P HA . 15941 1 57 . 1 1 9 9 PRO HB2 H 1 1.646 0.02 . 2 . . . . 9 P HB2 . 15941 1 58 . 1 1 9 9 PRO HB3 H 1 1.068 0.02 . 2 . . . . 9 P HB3 . 15941 1 59 . 1 1 9 9 PRO HD2 H 1 3.663 0.02 . 2 . . . . 9 P HD2 . 15941 1 60 . 1 1 9 9 PRO HD3 H 1 3.587 0.02 . 2 . . . . 9 P HD3 . 15941 1 61 . 1 1 9 9 PRO HG2 H 1 2.175 0.02 . 2 . . . . 9 P HG2 . 15941 1 62 . 1 1 9 9 PRO HG3 H 1 1.837 0.02 . 2 . . . . 9 P HG3 . 15941 1 63 . 1 1 10 10 ILE C C 13 175.090 0.3 . 1 . . . . 10 I C . 15941 1 64 . 1 1 10 10 ILE CA C 13 55.139 0.3 . 1 . . . . 10 I CA . 15941 1 65 . 1 1 10 10 ILE CB C 13 38.440 0.3 . 1 . . . . 10 I CB . 15941 1 66 . 1 1 10 10 ILE CD1 C 13 13.443 0.3 . 1 . . . . 10 I CD1 . 15941 1 67 . 1 1 10 10 ILE CG1 C 13 25.735 0.3 . 1 . . . . 10 I CG1 . 15941 1 68 . 1 1 10 10 ILE CG2 C 13 17.241 0.3 . 1 . . . . 10 I CG2 . 15941 1 69 . 1 1 10 10 ILE H H 1 8.853 0.02 . 1 . . . . 10 I H . 15941 1 70 . 1 1 10 10 ILE HA H 1 4.465 0.02 . 1 . . . . 10 I HA . 15941 1 71 . 1 1 10 10 ILE HB H 1 1.814 0.02 . 1 . . . . 10 I HB . 15941 1 72 . 1 1 10 10 ILE HD11 H 1 0.748 0.02 . 1 . . . . 10 I QD1 . 15941 1 73 . 1 1 10 10 ILE HD12 H 1 0.748 0.02 . 1 . . . . 10 I QD1 . 15941 1 74 . 1 1 10 10 ILE HD13 H 1 0.748 0.02 . 1 . . . . 10 I QD1 . 15941 1 75 . 1 1 10 10 ILE HG12 H 1 0.926 0.02 . 1 . . . . 10 I QG1 . 15941 1 76 . 1 1 10 10 ILE HG13 H 1 0.926 0.02 . 1 . . . . 10 I QG1 . 15941 1 77 . 1 1 10 10 ILE HG21 H 1 0.818 0.02 . 1 . . . . 10 I QG2 . 15941 1 78 . 1 1 10 10 ILE HG22 H 1 0.818 0.02 . 1 . . . . 10 I QG2 . 15941 1 79 . 1 1 10 10 ILE HG23 H 1 0.818 0.02 . 1 . . . . 10 I QG2 . 15941 1 80 . 1 1 10 10 ILE N N 15 124.692 0.3 . 1 . . . . 10 I N . 15941 1 81 . 1 1 11 11 PHE C C 13 173.493 0.3 . 1 . . . . 11 F C . 15941 1 82 . 1 1 11 11 PHE CA C 13 57.119 0.3 . 1 . . . . 11 F CA . 15941 1 83 . 1 1 11 11 PHE CB C 13 39.299 0.3 . 1 . . . . 11 F CB . 15941 1 84 . 1 1 11 11 PHE CD1 C 13 129.580 0.3 . 3 . . . . 11 F CD1 . 15941 1 85 . 1 1 11 11 PHE CD2 C 13 129.580 0.3 . 3 . . . . 11 F CD2 . 15941 1 86 . 1 1 11 11 PHE H H 1 10.358 0.02 . 1 . . . . 11 F H . 15941 1 87 . 1 1 11 11 PHE HA H 1 4.595 0.02 . 1 . . . . 11 F HA . 15941 1 88 . 1 1 11 11 PHE HB2 H 1 3.071 0.02 . 2 . . . . 11 F HB2 . 15941 1 89 . 1 1 11 11 PHE HB3 H 1 2.906 0.02 . 2 . . . . 11 F HB3 . 15941 1 90 . 1 1 11 11 PHE HD1 H 1 6.790 0.02 . 3 . . . . 11 F QD . 15941 1 91 . 1 1 11 11 PHE HD2 H 1 6.790 0.02 . 3 . . . . 11 F QD . 15941 1 92 . 1 1 11 11 PHE N N 15 132.554 0.3 . 1 . . . . 11 F N . 15941 1 93 . 1 1 12 12 SER C C 13 172.953 0.3 . 1 . . . . 12 S C . 15941 1 94 . 1 1 12 12 SER CA C 13 52.942 0.3 . 1 . . . . 12 S CA . 15941 1 95 . 1 1 12 12 SER CB C 13 62.082 0.3 . 1 . . . . 12 S CB . 15941 1 96 . 1 1 12 12 SER H H 1 7.721 0.02 . 1 . . . . 12 S H . 15941 1 97 . 1 1 12 12 SER HA H 1 4.714 0.02 . 1 . . . . 12 S HA . 15941 1 98 . 1 1 12 12 SER HB2 H 1 3.899 0.02 . 2 . . . . 12 S HB2 . 15941 1 99 . 1 1 12 12 SER HB3 H 1 3.472 0.02 . 2 . . . . 12 S HB3 . 15941 1 100 . 1 1 12 12 SER N N 15 125.459 0.3 . 1 . . . . 12 S N . 15941 1 101 . 1 1 13 13 VAL C C 13 177.609 0.3 . 1 . . . . 13 V C . 15941 1 102 . 1 1 13 13 VAL CA C 13 63.827 0.3 . 1 . . . . 13 V CA . 15941 1 103 . 1 1 13 13 VAL CB C 13 29.889 0.3 . 1 . . . . 13 V CB . 15941 1 104 . 1 1 13 13 VAL CG1 C 13 21.359 0.3 . 2 . . . . 13 V CG1 . 15941 1 105 . 1 1 13 13 VAL CG2 C 13 19.104 0.3 . 2 . . . . 13 V CG2 . 15941 1 106 . 1 1 13 13 VAL H H 1 9.394 0.02 . 1 . . . . 13 V H . 15941 1 107 . 1 1 13 13 VAL HA H 1 3.528 0.02 . 1 . . . . 13 V HA . 15941 1 108 . 1 1 13 13 VAL HB H 1 1.819 0.02 . 1 . . . . 13 V HB . 15941 1 109 . 1 1 13 13 VAL HG11 H 1 1.121 0.02 . 1 . . . . 13 V QG1 . 15941 1 110 . 1 1 13 13 VAL HG12 H 1 1.121 0.02 . 1 . . . . 13 V QG1 . 15941 1 111 . 1 1 13 13 VAL HG13 H 1 1.121 0.02 . 1 . . . . 13 V QG1 . 15941 1 112 . 1 1 13 13 VAL HG21 H 1 0.918 0.02 . 1 . . . . 13 V QG2 . 15941 1 113 . 1 1 13 13 VAL HG22 H 1 0.918 0.02 . 1 . . . . 13 V QG2 . 15941 1 114 . 1 1 13 13 VAL HG23 H 1 0.918 0.02 . 1 . . . . 13 V QG2 . 15941 1 115 . 1 1 13 13 VAL N N 15 131.171 0.3 . 1 . . . . 13 V N . 15941 1 116 . 1 1 14 14 ALA C C 13 178.161 0.3 . 1 . . . . 14 A C . 15941 1 117 . 1 1 14 14 ALA CA C 13 53.298 0.3 . 1 . . . . 14 A CA . 15941 1 118 . 1 1 14 14 ALA CB C 13 16.732 0.3 . 1 . . . . 14 A CB . 15941 1 119 . 1 1 14 14 ALA H H 1 8.908 0.02 . 1 . . . . 14 A H . 15941 1 120 . 1 1 14 14 ALA HA H 1 3.776 0.02 . 1 . . . . 14 A HA . 15941 1 121 . 1 1 14 14 ALA HB1 H 1 1.166 0.02 . 1 . . . . 14 A QB . 15941 1 122 . 1 1 14 14 ALA HB2 H 1 1.166 0.02 . 1 . . . . 14 A QB . 15941 1 123 . 1 1 14 14 ALA HB3 H 1 1.166 0.02 . 1 . . . . 14 A QB . 15941 1 124 . 1 1 14 14 ALA N N 15 123.122 0.3 . 1 . . . . 14 A N . 15941 1 125 . 1 1 15 15 LYS C C 13 174.181 0.3 . 1 . . . . 15 K C . 15941 1 126 . 1 1 15 15 LYS CA C 13 53.773 0.3 . 1 . . . . 15 K CA . 15941 1 127 . 1 1 15 15 LYS CB C 13 31.669 0.3 . 1 . . . . 15 K CB . 15941 1 128 . 1 1 15 15 LYS CD C 13 27.015 0.3 . 1 . . . . 15 K CD . 15941 1 129 . 1 1 15 15 LYS CG C 13 22.850 0.3 . 1 . . . . 15 K CG . 15941 1 130 . 1 1 15 15 LYS H H 1 7.268 0.02 . 1 . . . . 15 K H . 15941 1 131 . 1 1 15 15 LYS HA H 1 4.143 0.02 . 1 . . . . 15 K HA . 15941 1 132 . 1 1 15 15 LYS HB2 H 1 1.717 0.02 . 2 . . . . 15 K HB2 . 15941 1 133 . 1 1 15 15 LYS HB3 H 1 1.251 0.02 . 2 . . . . 15 K HB3 . 15941 1 134 . 1 1 15 15 LYS HD2 H 1 1.501 0.02 . 2 . . . . 15 K HD2 . 15941 1 135 . 1 1 15 15 LYS HD3 H 1 1.405 0.02 . 2 . . . . 15 K HD3 . 15941 1 136 . 1 1 15 15 LYS HE2 H 1 2.874 0.02 . 2 . . . . 15 K QE . 15941 1 137 . 1 1 15 15 LYS HE3 H 1 2.874 0.02 . 2 . . . . 15 K QE . 15941 1 138 . 1 1 15 15 LYS HG2 H 1 1.407 0.02 . 2 . . . . 15 K HG2 . 15941 1 139 . 1 1 15 15 LYS HG3 H 1 1.482 0.02 . 2 . . . . 15 K HG3 . 15941 1 140 . 1 1 15 15 LYS N N 15 113.716 0.3 . 1 . . . . 15 K N . 15941 1 141 . 1 1 16 16 ASN C C 13 172.732 0.3 . 1 . . . . 16 N C . 15941 1 142 . 1 1 16 16 ASN CA C 13 51.758 0.3 . 1 . . . . 16 N CA . 15941 1 143 . 1 1 16 16 ASN CB C 13 36.199 0.3 . 1 . . . . 16 N CB . 15941 1 144 . 1 1 16 16 ASN H H 1 8.011 0.02 . 1 . . . . 16 N H . 15941 1 145 . 1 1 16 16 ASN HA H 1 4.237 0.02 . 1 . . . . 16 N HA . 15941 1 146 . 1 1 16 16 ASN HB2 H 1 3.300 0.02 . 2 . . . . 16 N HB2 . 15941 1 147 . 1 1 16 16 ASN HB3 H 1 2.417 0.02 . 2 . . . . 16 N HB3 . 15941 1 148 . 1 1 16 16 ASN HD21 H 1 6.750 0.02 . 2 . . . . 16 N HE2 . 15941 1 149 . 1 1 16 16 ASN HD22 H 1 7.460 0.02 . 2 . . . . 16 N HE3 . 15941 1 150 . 1 1 16 16 ASN N N 15 122.825 0.3 . 1 . . . . 16 N N . 15941 1 151 . 1 1 16 16 ASN ND2 N 15 111.890 0.3 . 1 . . . . 16 N NE . 15941 1 152 . 1 1 17 17 ARG C C 13 172.670 0.3 . 1 . . . . 17 R C . 15941 1 153 . 1 1 17 17 ARG CA C 13 52.911 0.3 . 1 . . . . 17 R CA . 15941 1 154 . 1 1 17 17 ARG CB C 13 31.384 0.3 . 1 . . . . 17 R CB . 15941 1 155 . 1 1 17 17 ARG CD C 13 41.827 0.3 . 1 . . . . 17 R CD . 15941 1 156 . 1 1 17 17 ARG CG C 13 23.765 0.3 . 1 . . . . 17 R CG . 15941 1 157 . 1 1 17 17 ARG H H 1 6.955 0.02 . 1 . . . . 17 R H . 15941 1 158 . 1 1 17 17 ARG HA H 1 4.705 0.02 . 1 . . . . 17 R HA . 15941 1 159 . 1 1 17 17 ARG HB2 H 1 1.849 0.02 . 2 . . . . 17 R HB2 . 15941 1 160 . 1 1 17 17 ARG HB3 H 1 1.657 0.02 . 2 . . . . 17 R HB3 . 15941 1 161 . 1 1 17 17 ARG HD2 H 1 3.109 0.02 . 2 . . . . 17 R QD . 15941 1 162 . 1 1 17 17 ARG HD3 H 1 3.109 0.02 . 2 . . . . 17 R QD . 15941 1 163 . 1 1 17 17 ARG HG2 H 1 1.335 0.02 . 2 . . . . 17 R HG2 . 15941 1 164 . 1 1 17 17 ARG HG3 H 1 1.223 0.02 . 2 . . . . 17 R HG3 . 15941 1 165 . 1 1 17 17 ARG N N 15 112.994 0.3 . 1 . . . . 17 R N . 15941 1 166 . 1 1 18 18 VAL C C 13 173.997 0.3 . 1 . . . . 18 V C . 15941 1 167 . 1 1 18 18 VAL CA C 13 60.733 0.3 . 1 . . . . 18 V CA . 15941 1 168 . 1 1 18 18 VAL CB C 13 30.641 0.3 . 1 . . . . 18 V CB . 15941 1 169 . 1 1 18 18 VAL CG1 C 13 21.425 0.3 . 2 . . . . 18 V CG1 . 15941 1 170 . 1 1 18 18 VAL CG2 C 13 20.483 0.3 . 2 . . . . 18 V CG2 . 15941 1 171 . 1 1 18 18 VAL H H 1 8.443 0.02 . 1 . . . . 18 V H . 15941 1 172 . 1 1 18 18 VAL HA H 1 4.277 0.02 . 1 . . . . 18 V HA . 15941 1 173 . 1 1 18 18 VAL HB H 1 1.882 0.02 . 1 . . . . 18 V HB . 15941 1 174 . 1 1 18 18 VAL HG11 H 1 1.069 0.02 . 1 . . . . 18 V QG1 . 15941 1 175 . 1 1 18 18 VAL HG12 H 1 1.069 0.02 . 1 . . . . 18 V QG1 . 15941 1 176 . 1 1 18 18 VAL HG13 H 1 1.069 0.02 . 1 . . . . 18 V QG1 . 15941 1 177 . 1 1 18 18 VAL HG21 H 1 0.573 0.02 . 1 . . . . 18 V QG2 . 15941 1 178 . 1 1 18 18 VAL HG22 H 1 0.573 0.02 . 1 . . . . 18 V QG2 . 15941 1 179 . 1 1 18 18 VAL HG23 H 1 0.573 0.02 . 1 . . . . 18 V QG2 . 15941 1 180 . 1 1 18 18 VAL N N 15 123.008 0.3 . 1 . . . . 18 V N . 15941 1 181 . 1 1 19 19 GLU C C 13 172.805 0.3 . 1 . . . . 19 E C . 15941 1 182 . 1 1 19 19 GLU CA C 13 52.351 0.3 . 1 . . . . 19 E CA . 15941 1 183 . 1 1 19 19 GLU CB C 13 31.784 0.3 . 1 . . . . 19 E CB . 15941 1 184 . 1 1 19 19 GLU CG C 13 34.836 0.3 . 1 . . . . 19 E CG . 15941 1 185 . 1 1 19 19 GLU H H 1 8.650 0.02 . 1 . . . . 19 E H . 15941 1 186 . 1 1 19 19 GLU HA H 1 4.555 0.02 . 1 . . . . 19 E HA . 15941 1 187 . 1 1 19 19 GLU HB2 H 1 1.849 0.02 . 2 . . . . 19 E HB2 . 15941 1 188 . 1 1 19 19 GLU HB3 H 1 1.798 0.02 . 2 . . . . 19 E HB3 . 15941 1 189 . 1 1 19 19 GLU HG2 H 1 2.057 0.02 . 2 . . . . 19 E HG2 . 15941 1 190 . 1 1 19 19 GLU HG3 H 1 1.983 0.02 . 2 . . . . 19 E HG3 . 15941 1 191 . 1 1 19 19 GLU N N 15 128.438 0.3 . 1 . . . . 19 E N . 15941 1 192 . 1 1 20 20 MET C C 13 175.176 0.3 . 1 . . . . 20 M C . 15941 1 193 . 1 1 20 20 MET CA C 13 51.270 0.3 . 1 . . . . 20 M CA . 15941 1 194 . 1 1 20 20 MET CB C 13 28.685 0.3 . 1 . . . . 20 M CB . 15941 1 195 . 1 1 20 20 MET CE C 13 11.990 0.3 . 1 . . . . 20 M CE . 15941 1 196 . 1 1 20 20 MET CG C 13 29.971 0.3 . 1 . . . . 20 M CG . 15941 1 197 . 1 1 20 20 MET H H 1 8.260 0.02 . 1 . . . . 20 M H . 15941 1 198 . 1 1 20 20 MET HA H 1 5.044 0.02 . 1 . . . . 20 M HA . 15941 1 199 . 1 1 20 20 MET HB2 H 1 1.492 0.02 . 2 . . . . 20 M HB2 . 15941 1 200 . 1 1 20 20 MET HB3 H 1 1.451 0.02 . 2 . . . . 20 M HB3 . 15941 1 201 . 1 1 20 20 MET HE1 H 1 1.458 0.02 . 1 . . . . 20 M QE . 15941 1 202 . 1 1 20 20 MET HE2 H 1 1.458 0.02 . 1 . . . . 20 M QE . 15941 1 203 . 1 1 20 20 MET HE3 H 1 1.458 0.02 . 1 . . . . 20 M QE . 15941 1 204 . 1 1 20 20 MET HG2 H 1 2.579 0.02 . 2 . . . . 20 M HG2 . 15941 1 205 . 1 1 20 20 MET HG3 H 1 2.425 0.02 . 2 . . . . 20 M HG3 . 15941 1 206 . 1 1 20 20 MET N N 15 121.214 0.3 . 1 . . . . 20 M N . 15941 1 207 . 1 1 21 21 VAL C C 13 173.174 0.3 . 1 . . . . 21 V C . 15941 1 208 . 1 1 21 21 VAL CA C 13 57.127 0.3 . 1 . . . . 21 V CA . 15941 1 209 . 1 1 21 21 VAL CB C 13 33.992 0.3 . 1 . . . . 21 V CB . 15941 1 210 . 1 1 21 21 VAL CG1 C 13 19.617 0.3 . 2 . . . . 21 V CG1 . 15941 1 211 . 1 1 21 21 VAL CG2 C 13 17.622 0.3 . 2 . . . . 21 V CG2 . 15941 1 212 . 1 1 21 21 VAL H H 1 9.095 0.02 . 1 . . . . 21 V H . 15941 1 213 . 1 1 21 21 VAL HA H 1 4.717 0.02 . 1 . . . . 21 V HA . 15941 1 214 . 1 1 21 21 VAL HB H 1 2.148 0.02 . 1 . . . . 21 V HB . 15941 1 215 . 1 1 21 21 VAL HG11 H 1 0.799 0.02 . 1 . . . . 21 V QG1 . 15941 1 216 . 1 1 21 21 VAL HG12 H 1 0.799 0.02 . 1 . . . . 21 V QG1 . 15941 1 217 . 1 1 21 21 VAL HG13 H 1 0.799 0.02 . 1 . . . . 21 V QG1 . 15941 1 218 . 1 1 21 21 VAL HG21 H 1 0.680 0.02 . 1 . . . . 21 V QG2 . 15941 1 219 . 1 1 21 21 VAL HG22 H 1 0.680 0.02 . 1 . . . . 21 V QG2 . 15941 1 220 . 1 1 21 21 VAL HG23 H 1 0.680 0.02 . 1 . . . . 21 V QG2 . 15941 1 221 . 1 1 21 21 VAL N N 15 120.983 0.3 . 1 . . . . 21 V N . 15941 1 222 . 1 1 22 22 GLU C C 13 176.540 0.3 . 1 . . . . 22 E C . 15941 1 223 . 1 1 22 22 GLU CA C 13 54.738 0.3 . 1 . . . . 22 E CA . 15941 1 224 . 1 1 22 22 GLU CB C 13 28.979 0.3 . 1 . . . . 22 E CB . 15941 1 225 . 1 1 22 22 GLU CG C 13 35.411 0.3 . 1 . . . . 22 E CG . 15941 1 226 . 1 1 22 22 GLU H H 1 8.615 0.02 . 1 . . . . 22 E H . 15941 1 227 . 1 1 22 22 GLU HA H 1 4.493 0.02 . 1 . . . . 22 E HA . 15941 1 228 . 1 1 22 22 GLU HB2 H 1 2.037 0.02 . 2 . . . . 22 E HB2 . 15941 1 229 . 1 1 22 22 GLU HB3 H 1 1.880 0.02 . 2 . . . . 22 E HB3 . 15941 1 230 . 1 1 22 22 GLU HG2 H 1 2.301 0.02 . 2 . . . . 22 E HG2 . 15941 1 231 . 1 1 22 22 GLU HG3 H 1 2.239 0.02 . 2 . . . . 22 E HG3 . 15941 1 232 . 1 1 22 22 GLU N N 15 121.447 0.3 . 1 . . . . 22 E N . 15941 1 233 . 1 1 23 23 ARG C C 13 174.132 0.3 . 1 . . . . 23 R C . 15941 1 234 . 1 1 23 23 ARG CA C 13 55.595 0.3 . 1 . . . . 23 R CA . 15941 1 235 . 1 1 23 23 ARG CB C 13 29.391 0.3 . 1 . . . . 23 R CB . 15941 1 236 . 1 1 23 23 ARG CD C 13 41.003 0.3 . 1 . . . . 23 R CD . 15941 1 237 . 1 1 23 23 ARG CG C 13 26.242 0.3 . 1 . . . . 23 R CG . 15941 1 238 . 1 1 23 23 ARG H H 1 8.690 0.02 . 1 . . . . 23 R H . 15941 1 239 . 1 1 23 23 ARG HA H 1 4.148 0.02 . 1 . . . . 23 R HA . 15941 1 240 . 1 1 23 23 ARG HB2 H 1 1.925 0.02 . 2 . . . . 23 R HB2 . 15941 1 241 . 1 1 23 23 ARG HB3 H 1 1.830 0.02 . 2 . . . . 23 R HB3 . 15941 1 242 . 1 1 23 23 ARG HD2 H 1 3.352 0.02 . 2 . . . . 23 R HD2 . 15941 1 243 . 1 1 23 23 ARG HD3 H 1 3.279 0.02 . 2 . . . . 23 R HD3 . 15941 1 244 . 1 1 23 23 ARG HG2 H 1 1.826 0.02 . 2 . . . . 23 R HG2 . 15941 1 245 . 1 1 23 23 ARG HG3 H 1 1.702 0.02 . 2 . . . . 23 R HG3 . 15941 1 246 . 1 1 23 23 ARG N N 15 124.440 0.3 . 1 . . . . 23 R N . 15941 1 247 . 1 1 24 24 ILE C C 13 173.113 0.3 . 1 . . . . 24 I C . 15941 1 248 . 1 1 24 24 ILE CA C 13 58.320 0.3 . 1 . . . . 24 I CA . 15941 1 249 . 1 1 24 24 ILE CB C 13 36.639 0.3 . 1 . . . . 24 I CB . 15941 1 250 . 1 1 24 24 ILE CD1 C 13 15.576 0.3 . 1 . . . . 24 I CD1 . 15941 1 251 . 1 1 24 24 ILE CG1 C 13 25.274 0.3 . 1 . . . . 24 I CG1 . 15941 1 252 . 1 1 24 24 ILE CG2 C 13 17.588 0.3 . 1 . . . . 24 I CG2 . 15941 1 253 . 1 1 24 24 ILE H H 1 7.924 0.02 . 1 . . . . 24 I H . 15941 1 254 . 1 1 24 24 ILE HA H 1 4.206 0.02 . 1 . . . . 24 I HA . 15941 1 255 . 1 1 24 24 ILE HB H 1 1.779 0.02 . 1 . . . . 24 I HB . 15941 1 256 . 1 1 24 24 ILE HD11 H 1 1.002 0.02 . 1 . . . . 24 I QD1 . 15941 1 257 . 1 1 24 24 ILE HD12 H 1 1.002 0.02 . 1 . . . . 24 I QD1 . 15941 1 258 . 1 1 24 24 ILE HD13 H 1 1.002 0.02 . 1 . . . . 24 I QD1 . 15941 1 259 . 1 1 24 24 ILE HG12 H 1 1.449 0.02 . 2 . . . . 24 I HG12 . 15941 1 260 . 1 1 24 24 ILE HG13 H 1 1.232 0.02 . 2 . . . . 24 I HG13 . 15941 1 261 . 1 1 24 24 ILE HG21 H 1 0.800 0.02 . 1 . . . . 24 I QG2 . 15941 1 262 . 1 1 24 24 ILE HG22 H 1 0.800 0.02 . 1 . . . . 24 I QG2 . 15941 1 263 . 1 1 24 24 ILE HG23 H 1 0.800 0.02 . 1 . . . . 24 I QG2 . 15941 1 264 . 1 1 24 24 ILE N N 15 124.115 0.3 . 1 . . . . 24 I N . 15941 1 265 . 1 1 25 25 GLU C C 13 172.891 0.3 . 1 . . . . 25 E C . 15941 1 266 . 1 1 25 25 GLU CA C 13 53.136 0.3 . 1 . . . . 25 E CA . 15941 1 267 . 1 1 25 25 GLU CB C 13 29.454 0.3 . 1 . . . . 25 E CB . 15941 1 268 . 1 1 25 25 GLU CG C 13 34.548 0.3 . 1 . . . . 25 E CG . 15941 1 269 . 1 1 25 25 GLU H H 1 8.252 0.02 . 1 . . . . 25 E H . 15941 1 270 . 1 1 25 25 GLU HA H 1 4.810 0.02 . 1 . . . . 25 E HA . 15941 1 271 . 1 1 25 25 GLU HB2 H 1 1.943 0.02 . 2 . . . . 25 E HB2 . 15941 1 272 . 1 1 25 25 GLU HB3 H 1 1.813 0.02 . 2 . . . . 25 E HB3 . 15941 1 273 . 1 1 25 25 GLU HG2 H 1 2.090 0.02 . 2 . . . . 25 E QG . 15941 1 274 . 1 1 25 25 GLU HG3 H 1 2.090 0.02 . 2 . . . . 25 E QG . 15941 1 275 . 1 1 25 25 GLU N N 15 129.846 0.3 . 1 . . . . 25 E N . 15941 1 276 . 1 1 26 26 LEU C C 13 175.397 0.3 . 1 . . . . 26 L C . 15941 1 277 . 1 1 26 26 LEU CA C 13 51.290 0.3 . 1 . . . . 26 L CA . 15941 1 278 . 1 1 26 26 LEU CB C 13 41.431 0.3 . 1 . . . . 26 L CB . 15941 1 279 . 1 1 26 26 LEU CD1 C 13 20.998 0.3 . 2 . . . . 26 L CD1 . 15941 1 280 . 1 1 26 26 LEU CD2 C 13 21.959 0.3 . 2 . . . . 26 L CD2 . 15941 1 281 . 1 1 26 26 LEU CG C 13 25.107 0.3 . 1 . . . . 26 L CG . 15941 1 282 . 1 1 26 26 LEU H H 1 8.276 0.02 . 1 . . . . 26 L H . 15941 1 283 . 1 1 26 26 LEU HA H 1 4.541 0.02 . 1 . . . . 26 L HA . 15941 1 284 . 1 1 26 26 LEU HB2 H 1 0.098 0.02 . 2 . . . . 26 L HB2 . 15941 1 285 . 1 1 26 26 LEU HB3 H 1 0.832 0.02 . 2 . . . . 26 L HB3 . 15941 1 286 . 1 1 26 26 LEU HD11 H 1 0.358 0.02 . 1 . . . . 26 L QD1 . 15941 1 287 . 1 1 26 26 LEU HD12 H 1 0.358 0.02 . 1 . . . . 26 L QD1 . 15941 1 288 . 1 1 26 26 LEU HD13 H 1 0.358 0.02 . 1 . . . . 26 L QD1 . 15941 1 289 . 1 1 26 26 LEU HD21 H 1 -0.470 0.02 . 1 . . . . 26 L QD2 . 15941 1 290 . 1 1 26 26 LEU HD22 H 1 -0.470 0.02 . 1 . . . . 26 L QD2 . 15941 1 291 . 1 1 26 26 LEU HD23 H 1 -0.470 0.02 . 1 . . . . 26 L QD2 . 15941 1 292 . 1 1 26 26 LEU HG H 1 0.861 0.02 . 1 . . . . 26 L HG . 15941 1 293 . 1 1 26 26 LEU N N 15 126.258 0.3 . 1 . . . . 26 L N . 15941 1 294 . 1 1 27 27 SER C C 13 173.972 0.3 . 1 . . . . 27 S C . 15941 1 295 . 1 1 27 27 SER CA C 13 55.816 0.3 . 1 . . . . 27 S CA . 15941 1 296 . 1 1 27 27 SER CB C 13 63.547 0.3 . 1 . . . . 27 S CB . 15941 1 297 . 1 1 27 27 SER H H 1 8.846 0.02 . 1 . . . . 27 S H . 15941 1 298 . 1 1 27 27 SER HA H 1 4.576 0.02 . 1 . . . . 27 S HA . 15941 1 299 . 1 1 27 27 SER HB2 H 1 4.069 0.02 . 2 . . . . 27 S HB2 . 15941 1 300 . 1 1 27 27 SER HB3 H 1 4.401 0.02 . 2 . . . . 27 S HB3 . 15941 1 301 . 1 1 27 27 SER N N 15 119.022 0.3 . 1 . . . . 27 S N . 15941 1 302 . 1 1 28 28 ASP CA C 13 50.135 0.3 . 1 . . . . 28 D CA . 15941 1 303 . 1 1 28 28 ASP CB C 13 38.211 0.3 . 1 . . . . 28 D CB . 15941 1 304 . 1 1 28 28 ASP H H 1 9.205 0.02 . 1 . . . . 28 D H . 15941 1 305 . 1 1 28 28 ASP HA H 1 4.534 0.02 . 1 . . . . 28 D HA . 15941 1 306 . 1 1 28 28 ASP HB2 H 1 2.397 0.02 . 2 . . . . 28 D HB2 . 15941 1 307 . 1 1 28 28 ASP HB3 H 1 2.270 0.02 . 2 . . . . 28 D HB3 . 15941 1 308 . 1 1 28 28 ASP N N 15 124.110 0.3 . 1 . . . . 28 D N . 15941 1 309 . 1 1 29 29 ASP C C 13 177.191 0.3 . 1 . . . . 29 D C . 15941 1 310 . 1 1 29 29 ASP CA C 13 55.730 0.3 . 1 . . . . 29 D CA . 15941 1 311 . 1 1 29 29 ASP CB C 13 38.677 0.3 . 1 . . . . 29 D CB . 15941 1 312 . 1 1 29 29 ASP HA H 1 4.335 0.02 . 1 . . . . 29 D HA . 15941 1 313 . 1 1 29 29 ASP HB2 H 1 2.663 0.02 . 2 . . . . 29 D HB2 . 15941 1 314 . 1 1 29 29 ASP HB3 H 1 2.516 0.02 . 2 . . . . 29 D HB3 . 15941 1 315 . 1 1 30 30 GLU C C 13 178.874 0.3 . 1 . . . . 30 E C . 15941 1 316 . 1 1 30 30 GLU CA C 13 57.429 0.3 . 1 . . . . 30 E CA . 15941 1 317 . 1 1 30 30 GLU CB C 13 28.650 0.3 . 1 . . . . 30 E CB . 15941 1 318 . 1 1 30 30 GLU CG C 13 35.861 0.3 . 1 . . . . 30 E CG . 15941 1 319 . 1 1 30 30 GLU H H 1 7.556 0.02 . 1 . . . . 30 E H . 15941 1 320 . 1 1 30 30 GLU HA H 1 4.017 0.02 . 1 . . . . 30 E HA . 15941 1 321 . 1 1 30 30 GLU HB2 H 1 2.168 0.02 . 2 . . . . 30 E HB2 . 15941 1 322 . 1 1 30 30 GLU HB3 H 1 1.726 0.02 . 2 . . . . 30 E HB3 . 15941 1 323 . 1 1 30 30 GLU HG2 H 1 2.106 0.02 . 2 . . . . 30 E QG . 15941 1 324 . 1 1 30 30 GLU HG3 H 1 2.106 0.02 . 2 . . . . 30 E QG . 15941 1 325 . 1 1 30 30 GLU N N 15 121.785 0.3 . 1 . . . . 30 E N . 15941 1 326 . 1 1 31 31 TRP C C 13 171.294 0.3 . 1 . . . . 31 W C . 15941 1 327 . 1 1 31 31 TRP CA C 13 58.307 0.3 . 1 . . . . 31 W CA . 15941 1 328 . 1 1 31 31 TRP CB C 13 29.685 0.3 . 1 . . . . 31 W CB . 15941 1 329 . 1 1 31 31 TRP CD1 C 13 127.800 0.3 . 1 . . . . 31 W CD1 . 15941 1 330 . 1 1 31 31 TRP CE3 C 13 119.300 0.3 . 1 . . . . 31 W CE3 . 15941 1 331 . 1 1 31 31 TRP CH2 C 13 120.800 0.3 . 1 . . . . 31 W CH2 . 15941 1 332 . 1 1 31 31 TRP CZ2 C 13 113.500 0.3 . 1 . . . . 31 W CZ2 . 15941 1 333 . 1 1 31 31 TRP CZ3 C 13 123.600 0.3 . 1 . . . . 31 W CZ3 . 15941 1 334 . 1 1 31 31 TRP H H 1 8.496 0.02 . 1 . . . . 31 W H . 15941 1 335 . 1 1 31 31 TRP HA H 1 4.743 0.02 . 1 . . . . 31 W HA . 15941 1 336 . 1 1 31 31 TRP HB2 H 1 3.659 0.02 . 2 . . . . 31 W HB2 . 15941 1 337 . 1 1 31 31 TRP HB3 H 1 3.506 0.02 . 2 . . . . 31 W HB3 . 15941 1 338 . 1 1 31 31 TRP HD1 H 1 7.150 0.02 . 1 . . . . 31 W HD1 . 15941 1 339 . 1 1 31 31 TRP HE1 H 1 10.310 0.02 . 1 . . . . 31 W HE1 . 15941 1 340 . 1 1 31 31 TRP HE3 H 1 7.580 0.02 . 1 . . . . 31 W HE3 . 15941 1 341 . 1 1 31 31 TRP HH2 H 1 7.200 0.02 . 1 . . . . 31 W HH2 . 15941 1 342 . 1 1 31 31 TRP HZ2 H 1 7.370 0.02 . 1 . . . . 31 W HZ2 . 15941 1 343 . 1 1 31 31 TRP HZ3 H 1 6.800 0.02 . 1 . . . . 31 W HZ3 . 15941 1 344 . 1 1 31 31 TRP N N 15 120.636 0.3 . 1 . . . . 31 W N . 15941 1 345 . 1 1 31 31 TRP NE1 N 15 132.108 0.3 . 1 . . . . 31 W NE1 . 15941 1 346 . 1 1 32 32 ARG C C 13 176.343 0.3 . 1 . . . . 32 W C . 15941 1 347 . 1 1 32 32 ARG CA C 13 56.968 0.3 . 1 . . . . 32 R CA . 15941 1 348 . 1 1 32 32 ARG CB C 13 28.092 0.3 . 1 . . . . 32 R CB . 15941 1 349 . 1 1 32 32 ARG CD C 13 41.509 0.3 . 1 . . . . 32 R CD . 15941 1 350 . 1 1 32 32 ARG CG C 13 25.793 0.3 . 1 . . . . 32 R CG . 15941 1 351 . 1 1 32 32 ARG H H 1 8.458 0.02 . 1 . . . . 32 R H . 15941 1 352 . 1 1 32 32 ARG HA H 1 3.540 0.02 . 1 . . . . 32 R HA . 15941 1 353 . 1 1 32 32 ARG HB2 H 1 1.602 0.02 . 2 . . . . 32 R HB2 . 15941 1 354 . 1 1 32 32 ARG HB3 H 1 1.490 0.02 . 2 . . . . 32 R HB3 . 15941 1 355 . 1 1 32 32 ARG HD2 H 1 2.915 0.02 . 2 . . . . 32 R HD2 . 15941 1 356 . 1 1 32 32 ARG HD3 H 1 2.824 0.02 . 2 . . . . 32 R HD3 . 15941 1 357 . 1 1 32 32 ARG HG2 H 1 1.061 0.02 . 2 . . . . 32 R HG2 . 15941 1 358 . 1 1 32 32 ARG HG3 H 1 0.881 0.02 . 2 . . . . 32 R HG3 . 15941 1 359 . 1 1 32 32 ARG N N 15 119.787 0.3 . 1 . . . . 32 R N . 15941 1 360 . 1 1 33 33 GLU C C 13 176.282 0.3 . 1 . . . . 33 E C . 15941 1 361 . 1 1 33 33 GLU CA C 13 55.843 0.3 . 1 . . . . 33 E CA . 15941 1 362 . 1 1 33 33 GLU CB C 13 28.687 0.3 . 1 . . . . 33 E CB . 15941 1 363 . 1 1 33 33 GLU CG C 13 34.325 0.3 . 1 . . . . 33 E CG . 15941 1 364 . 1 1 33 33 GLU H H 1 7.065 0.02 . 1 . . . . 33 E H . 15941 1 365 . 1 1 33 33 GLU HA H 1 4.195 0.02 . 1 . . . . 33 E HA . 15941 1 366 . 1 1 33 33 GLU HB2 H 1 2.175 0.02 . 2 . . . . 33 E HB2 . 15941 1 367 . 1 1 33 33 GLU HB3 H 1 2.074 0.02 . 2 . . . . 33 E HB3 . 15941 1 368 . 1 1 33 33 GLU HG2 H 1 2.431 0.02 . 2 . . . . 33 E HG2 . 15941 1 369 . 1 1 33 33 GLU HG3 H 1 2.297 0.02 . 2 . . . . 33 E HG3 . 15941 1 370 . 1 1 33 33 GLU N N 15 115.548 0.3 . 1 . . . . 33 E N . 15941 1 371 . 1 1 34 34 ILE C C 13 174.673 0.3 . 1 . . . . 34 I C . 15941 1 372 . 1 1 34 34 ILE CA C 13 60.789 0.3 . 1 . . . . 34 I CA . 15941 1 373 . 1 1 34 34 ILE CB C 13 39.000 0.3 . 1 . . . . 34 I CB . 15941 1 374 . 1 1 34 34 ILE CD1 C 13 12.136 0.3 . 1 . . . . 34 I CD1 . 15941 1 375 . 1 1 34 34 ILE CG1 C 13 25.331 0.3 . 1 . . . . 34 I CG1 . 15941 1 376 . 1 1 34 34 ILE CG2 C 13 15.836 0.3 . 1 . . . . 34 I CG2 . 15941 1 377 . 1 1 34 34 ILE H H 1 7.314 0.02 . 1 . . . . 34 I H . 15941 1 378 . 1 1 34 34 ILE HA H 1 4.345 0.02 . 1 . . . . 34 I HA . 15941 1 379 . 1 1 34 34 ILE HB H 1 2.103 0.02 . 1 . . . . 34 I HB . 15941 1 380 . 1 1 34 34 ILE HD11 H 1 0.736 0.02 . 1 . . . . 34 I QD1 . 15941 1 381 . 1 1 34 34 ILE HD12 H 1 0.736 0.02 . 1 . . . . 34 I QD1 . 15941 1 382 . 1 1 34 34 ILE HD13 H 1 0.736 0.02 . 1 . . . . 34 I QD1 . 15941 1 383 . 1 1 34 34 ILE HG12 H 1 1.660 0.02 . 2 . . . . 34 I HG12 . 15941 1 384 . 1 1 34 34 ILE HG13 H 1 1.280 0.02 . 2 . . . . 34 I HG13 . 15941 1 385 . 1 1 34 34 ILE HG21 H 1 1.054 0.02 . 1 . . . . 34 I QG2 . 15941 1 386 . 1 1 34 34 ILE HG22 H 1 1.054 0.02 . 1 . . . . 34 I QG2 . 15941 1 387 . 1 1 34 34 ILE HG23 H 1 1.054 0.02 . 1 . . . . 34 I QG2 . 15941 1 388 . 1 1 34 34 ILE N N 15 115.617 0.3 . 1 . . . . 34 I N . 15941 1 389 . 1 1 35 35 LEU C C 13 175.827 0.3 . 1 . . . . 35 L C . 15941 1 390 . 1 1 35 35 LEU CA C 13 51.641 0.3 . 1 . . . . 35 L CA . 15941 1 391 . 1 1 35 35 LEU CB C 13 43.766 0.3 . 1 . . . . 35 L CB . 15941 1 392 . 1 1 35 35 LEU CD1 C 13 20.829 0.3 . 2 . . . . 35 L CD1 . 15941 1 393 . 1 1 35 35 LEU CD2 C 13 26.398 0.3 . 2 . . . . 35 L CD2 . 15941 1 394 . 1 1 35 35 LEU CG C 13 25.333 0.3 . 1 . . . . 35 L CG . 15941 1 395 . 1 1 35 35 LEU H H 1 7.738 0.02 . 1 . . . . 35 L H . 15941 1 396 . 1 1 35 35 LEU HA H 1 4.794 0.02 . 1 . . . . 35 L HA . 15941 1 397 . 1 1 35 35 LEU HB2 H 1 1.902 0.02 . 2 . . . . 35 L HB2 . 15941 1 398 . 1 1 35 35 LEU HB3 H 1 1.774 0.02 . 2 . . . . 35 L HB3 . 15941 1 399 . 1 1 35 35 LEU HD11 H 1 1.071 0.02 . 1 . . . . 35 L QD1 . 15941 1 400 . 1 1 35 35 LEU HD12 H 1 1.071 0.02 . 1 . . . . 35 L QD1 . 15941 1 401 . 1 1 35 35 LEU HD13 H 1 1.071 0.02 . 1 . . . . 35 L QD1 . 15941 1 402 . 1 1 35 35 LEU HD21 H 1 0.910 0.02 . 1 . . . . 35 L QD2 . 15941 1 403 . 1 1 35 35 LEU HD22 H 1 0.910 0.02 . 1 . . . . 35 L QD2 . 15941 1 404 . 1 1 35 35 LEU HD23 H 1 0.910 0.02 . 1 . . . . 35 L QD2 . 15941 1 405 . 1 1 35 35 LEU HG H 1 2.394 0.02 . 1 . . . . 35 L HG . 15941 1 406 . 1 1 35 35 LEU N N 15 121.582 0.3 . 1 . . . . 35 L N . 15941 1 407 . 1 1 36 36 ASP CA C 13 51.424 0.3 . 1 . . . . 36 D CA . 15941 1 408 . 1 1 36 36 ASP CB C 13 38.918 0.3 . 1 . . . . 36 D CB . 15941 1 409 . 1 1 36 36 ASP H H 1 8.588 0.02 . 1 . . . . 36 D H . 15941 1 410 . 1 1 36 36 ASP HA H 1 4.887 0.02 . 1 . . . . 36 D HA . 15941 1 411 . 1 1 36 36 ASP HB2 H 1 3.036 0.02 . 2 . . . . 36 D HB2 . 15941 1 412 . 1 1 36 36 ASP HB3 H 1 2.744 0.02 . 2 . . . . 36 D HB3 . 15941 1 413 . 1 1 36 36 ASP N N 15 123.744 0.3 . 1 . . . . 36 D N . 15941 1 414 . 1 1 37 37 PRO C C 13 178.149 0.3 . 1 . . . . 37 P C . 15941 1 415 . 1 1 37 37 PRO CA C 13 64.609 0.3 . 1 . . . . 37 P CA . 15941 1 416 . 1 1 37 37 PRO CB C 13 30.681 0.3 . 1 . . . . 37 P CB . 15941 1 417 . 1 1 37 37 PRO CD C 13 48.669 0.3 . 1 . . . . 37 P CD . 15941 1 418 . 1 1 37 37 PRO CG C 13 26.247 0.3 . 1 . . . . 37 P CG . 15941 1 419 . 1 1 37 37 PRO HA H 1 4.342 0.02 . 1 . . . . 37 P HA . 15941 1 420 . 1 1 37 37 PRO HB2 H 1 2.516 0.02 . 2 . . . . 37 P HB2 . 15941 1 421 . 1 1 37 37 PRO HB3 H 1 2.112 0.02 . 2 . . . . 37 P HB3 . 15941 1 422 . 1 1 37 37 PRO HD2 H 1 3.990 0.02 . 2 . . . . 37 P HD2 . 15941 1 423 . 1 1 37 37 PRO HD3 H 1 3.901 0.02 . 2 . . . . 37 P HD3 . 15941 1 424 . 1 1 37 37 PRO HG2 H 1 2.270 0.02 . 2 . . . . 37 P HG2 . 15941 1 425 . 1 1 37 37 PRO HG3 H 1 2.126 0.02 . 2 . . . . 37 P HG3 . 15941 1 426 . 1 1 38 38 GLU C C 13 176.773 0.3 . 1 . . . . 38 E C . 15941 1 427 . 1 1 38 38 GLU CA C 13 56.667 0.3 . 1 . . . . 38 E CA . 15941 1 428 . 1 1 38 38 GLU CB C 13 27.635 0.3 . 1 . . . . 38 E CB . 15941 1 429 . 1 1 38 38 GLU CG C 13 33.749 0.3 . 1 . . . . 38 E CG . 15941 1 430 . 1 1 38 38 GLU H H 1 8.509 0.02 . 1 . . . . 38 E H . 15941 1 431 . 1 1 38 38 GLU HA H 1 4.615 0.02 . 1 . . . . 38 E HA . 15941 1 432 . 1 1 38 38 GLU HB2 H 1 2.137 0.02 . 2 . . . . 38 E HB2 . 15941 1 433 . 1 1 38 38 GLU HB3 H 1 2.064 0.02 . 2 . . . . 38 E HB3 . 15941 1 434 . 1 1 38 38 GLU HG2 H 1 2.405 0.02 . 2 . . . . 38 E HG2 . 15941 1 435 . 1 1 38 38 GLU HG3 H 1 2.305 0.02 . 2 . . . . 38 E HG3 . 15941 1 436 . 1 1 38 38 GLU N N 15 121.331 0.3 . 1 . . . . 38 E N . 15941 1 437 . 1 1 39 39 ALA C C 13 178.493 0.3 . 1 . . . . 39 A C . 15941 1 438 . 1 1 39 39 ALA CA C 13 53.485 0.3 . 1 . . . . 39 A CA . 15941 1 439 . 1 1 39 39 ALA CB C 13 17.898 0.3 . 1 . . . . 39 A CB . 15941 1 440 . 1 1 39 39 ALA H H 1 8.053 0.02 . 1 . . . . 39 A H . 15941 1 441 . 1 1 39 39 ALA HA H 1 4.032 0.02 . 1 . . . . 39 A HA . 15941 1 442 . 1 1 39 39 ALA HB1 H 1 1.662 0.02 . 1 . . . . 39 A QB . 15941 1 443 . 1 1 39 39 ALA HB2 H 1 1.662 0.02 . 1 . . . . 39 A QB . 15941 1 444 . 1 1 39 39 ALA HB3 H 1 1.662 0.02 . 1 . . . . 39 A QB . 15941 1 445 . 1 1 39 39 ALA N N 15 124.461 0.3 . 1 . . . . 39 A N . 15941 1 446 . 1 1 40 40 PHE C C 13 175.508 0.3 . 1 . . . . 40 F C . 15941 1 447 . 1 1 40 40 PHE CA C 13 61.144 0.3 . 1 . . . . 40 F CA . 15941 1 448 . 1 1 40 40 PHE CB C 13 37.722 0.3 . 1 . . . . 40 F CB . 15941 1 449 . 1 1 40 40 PHE CD1 C 13 129.800 0.3 . 3 . . . . 40 F CD1 . 15941 1 450 . 1 1 40 40 PHE CD2 C 13 129.800 0.3 . 3 . . . . 40 F CD2 . 15941 1 451 . 1 1 40 40 PHE H H 1 8.621 0.02 . 1 . . . . 40 F H . 15941 1 452 . 1 1 40 40 PHE HA H 1 3.815 0.02 . 1 . . . . 40 F HA . 15941 1 453 . 1 1 40 40 PHE HB2 H 1 3.189 0.02 . 2 . . . . 40 F HB2 . 15941 1 454 . 1 1 40 40 PHE HB3 H 1 3.060 0.02 . 2 . . . . 40 F HB3 . 15941 1 455 . 1 1 40 40 PHE HD1 H 1 7.080 0.02 . 3 . . . . 40 F QD . 15941 1 456 . 1 1 40 40 PHE HD2 H 1 7.080 0.02 . 3 . . . . 40 F QD . 15941 1 457 . 1 1 40 40 PHE N N 15 118.117 0.3 . 1 . . . . 40 F N . 15941 1 458 . 1 1 41 41 ARG C C 13 176.392 0.3 . 1 . . . . 41 R C . 15941 1 459 . 1 1 41 41 ARG CA C 13 57.872 0.3 . 1 . . . . 41 R CA . 15941 1 460 . 1 1 41 41 ARG CB C 13 29.242 0.3 . 1 . . . . 41 R CB . 15941 1 461 . 1 1 41 41 ARG CD C 13 41.347 0.3 . 1 . . . . 41 R CD . 15941 1 462 . 1 1 41 41 ARG CG C 13 26.328 0.3 . 1 . . . . 41 R CG . 15941 1 463 . 1 1 41 41 ARG H H 1 8.110 0.02 . 1 . . . . 41 R H . 15941 1 464 . 1 1 41 41 ARG HA H 1 3.599 0.02 . 1 . . . . 41 R HA . 15941 1 465 . 1 1 41 41 ARG HB2 H 1 2.069 0.02 . 2 . . . . 41 R QB . 15941 1 466 . 1 1 41 41 ARG HB3 H 1 2.069 0.02 . 2 . . . . 41 R QB . 15941 1 467 . 1 1 41 41 ARG HD2 H 1 3.445 0.02 . 2 . . . . 41 R HD2 . 15941 1 468 . 1 1 41 41 ARG HD3 H 1 3.129 0.02 . 2 . . . . 41 R HD3 . 15941 1 469 . 1 1 41 41 ARG HG2 H 1 1.698 0.02 . 2 . . . . 41 R HG2 . 15941 1 470 . 1 1 41 41 ARG HG3 H 1 1.418 0.02 . 2 . . . . 41 R HG3 . 15941 1 471 . 1 1 41 41 ARG N N 15 122.026 0.3 . 1 . . . . 41 R N . 15941 1 472 . 1 1 42 42 VAL C C 13 174.493 0.3 . 1 . . . . 42 V C . 15941 1 473 . 1 1 42 42 VAL CA C 13 63.203 0.3 . 1 . . . . 42 V CA . 15941 1 474 . 1 1 42 42 VAL CB C 13 31.161 0.3 . 1 . . . . 42 V CB . 15941 1 475 . 1 1 42 42 VAL CG1 C 13 19.108 0.3 . 2 . . . . 42 V CG1 . 15941 1 476 . 1 1 42 42 VAL CG2 C 13 20.181 0.3 . 2 . . . . 42 V CG2 . 15941 1 477 . 1 1 42 42 VAL H H 1 8.058 0.02 . 1 . . . . 42 V H . 15941 1 478 . 1 1 42 42 VAL HA H 1 3.572 0.02 . 1 . . . . 42 V HA . 15941 1 479 . 1 1 42 42 VAL HB H 1 1.814 0.02 . 1 . . . . 42 V HB . 15941 1 480 . 1 1 42 42 VAL HG11 H 1 0.974 0.02 . 1 . . . . 42 V QG1 . 15941 1 481 . 1 1 42 42 VAL HG12 H 1 0.974 0.02 . 1 . . . . 42 V QG1 . 15941 1 482 . 1 1 42 42 VAL HG13 H 1 0.974 0.02 . 1 . . . . 42 V QG1 . 15941 1 483 . 1 1 42 42 VAL HG21 H 1 0.788 0.02 . 1 . . . . 42 V QG2 . 15941 1 484 . 1 1 42 42 VAL HG22 H 1 0.788 0.02 . 1 . . . . 42 V QG2 . 15941 1 485 . 1 1 42 42 VAL HG23 H 1 0.788 0.02 . 1 . . . . 42 V QG2 . 15941 1 486 . 1 1 42 42 VAL N N 15 118.118 0.3 . 1 . . . . 42 V N . 15941 1 487 . 1 1 43 43 ALA C C 13 179.107 0.3 . 1 . . . . 43 A C . 15941 1 488 . 1 1 43 43 ALA CA C 13 51.801 0.3 . 1 . . . . 43 A CA . 15941 1 489 . 1 1 43 43 ALA CB C 13 17.653 0.3 . 1 . . . . 43 A CB . 15941 1 490 . 1 1 43 43 ALA H H 1 8.581 0.02 . 1 . . . . 43 A H . 15941 1 491 . 1 1 43 43 ALA HA H 1 5.177 0.02 . 1 . . . . 43 A HA . 15941 1 492 . 1 1 43 43 ALA HB1 H 1 1.255 0.02 . 1 . . . . 43 A QB . 15941 1 493 . 1 1 43 43 ALA HB2 H 1 1.255 0.02 . 1 . . . . 43 A QB . 15941 1 494 . 1 1 43 43 ALA HB3 H 1 1.255 0.02 . 1 . . . . 43 A QB . 15941 1 495 . 1 1 43 43 ALA N N 15 119.388 0.3 . 1 . . . . 43 A N . 15941 1 496 . 1 1 44 44 ARG C C 13 176.638 0.3 . 1 . . . . 44 R C . 15941 1 497 . 1 1 44 44 ARG CA C 13 52.370 0.3 . 1 . . . . 44 R CA . 15941 1 498 . 1 1 44 44 ARG CB C 13 23.834 0.3 . 1 . . . . 44 R CB . 15941 1 499 . 1 1 44 44 ARG CD C 13 41.389 0.3 . 1 . . . . 44 R CD . 15941 1 500 . 1 1 44 44 ARG CG C 13 26.441 0.3 . 1 . . . . 44 R CG . 15941 1 501 . 1 1 44 44 ARG H H 1 7.814 0.02 . 1 . . . . 44 R H . 15941 1 502 . 1 1 44 44 ARG HA H 1 4.549 0.02 . 1 . . . . 44 R HA . 15941 1 503 . 1 1 44 44 ARG HB2 H 1 1.824 0.02 . 2 . . . . 44 R HB2 . 15941 1 504 . 1 1 44 44 ARG HB3 H 1 1.753 0.02 . 2 . . . . 44 R HB3 . 15941 1 505 . 1 1 44 44 ARG HD2 H 1 3.159 0.02 . 2 . . . . 44 R HD2 . 15941 1 506 . 1 1 44 44 ARG HD3 H 1 3.103 0.02 . 2 . . . . 44 R HD3 . 15941 1 507 . 1 1 44 44 ARG HG2 H 1 1.654 0.02 . 2 . . . . 44 R HG2 . 15941 1 508 . 1 1 44 44 ARG HG3 H 1 1.583 0.02 . 2 . . . . 44 R HG3 . 15941 1 509 . 1 1 44 44 ARG N N 15 111.027 0.3 . 1 . . . . 44 R N . 15941 1 510 . 1 1 45 45 LYS C C 13 174.587 0.3 . 1 . . . . 45 K C . 15941 1 511 . 1 1 45 45 LYS CA C 13 51.893 0.3 . 1 . . . . 45 K CA . 15941 1 512 . 1 1 45 45 LYS CB C 13 28.186 0.3 . 1 . . . . 45 K CB . 15941 1 513 . 1 1 45 45 LYS CD C 13 25.559 0.3 . 1 . . . . 45 K CD . 15941 1 514 . 1 1 45 45 LYS CE C 13 40.175 0.3 . 1 . . . . 45 K CE . 15941 1 515 . 1 1 45 45 LYS CG C 13 21.740 0.3 . 1 . . . . 45 K CG . 15941 1 516 . 1 1 45 45 LYS H H 1 6.543 0.02 . 1 . . . . 45 K H . 15941 1 517 . 1 1 45 45 LYS HA H 1 4.400 0.02 . 1 . . . . 45 K HA . 15941 1 518 . 1 1 45 45 LYS HB2 H 1 2.030 0.02 . 2 . . . . 45 K HB2 . 15941 1 519 . 1 1 45 45 LYS HB3 H 1 1.906 0.02 . 2 . . . . 45 K HB3 . 15941 1 520 . 1 1 45 45 LYS HD2 H 1 1.532 0.02 . 2 . . . . 45 K HD2 . 15941 1 521 . 1 1 45 45 LYS HD3 H 1 1.452 0.02 . 2 . . . . 45 K HD3 . 15941 1 522 . 1 1 45 45 LYS HE2 H 1 3.012 0.02 . 2 . . . . 45 K HE2 . 15941 1 523 . 1 1 45 45 LYS HE3 H 1 2.762 0.02 . 2 . . . . 45 K HE3 . 15941 1 524 . 1 1 45 45 LYS HG2 H 1 1.316 0.02 . 2 . . . . 45 K HG2 . 15941 1 525 . 1 1 45 45 LYS HG3 H 1 0.588 0.02 . 2 . . . . 45 K HG3 . 15941 1 526 . 1 1 45 45 LYS N N 15 116.120 0.3 . 1 . . . . 45 K N . 15941 1 527 . 1 1 46 46 ALA C C 13 175.397 0.3 . 1 . . . . 46 A C . 15941 1 528 . 1 1 46 46 ALA CA C 13 51.327 0.3 . 1 . . . . 46 A CA . 15941 1 529 . 1 1 46 46 ALA CB C 13 13.696 0.3 . 1 . . . . 46 A CB . 15941 1 530 . 1 1 46 46 ALA H H 1 7.079 0.02 . 1 . . . . 46 A H . 15941 1 531 . 1 1 46 46 ALA HA H 1 3.685 0.02 . 1 . . . . 46 A HA . 15941 1 532 . 1 1 46 46 ALA HB1 H 1 0.842 0.02 . 1 . . . . 46 A QB . 15941 1 533 . 1 1 46 46 ALA HB2 H 1 0.842 0.02 . 1 . . . . 46 A QB . 15941 1 534 . 1 1 46 46 ALA HB3 H 1 0.842 0.02 . 1 . . . . 46 A QB . 15941 1 535 . 1 1 46 46 ALA N N 15 120.198 0.3 . 1 . . . . 46 A N . 15941 1 536 . 1 1 47 47 GLY C C 13 169.268 0.3 . 1 . . . . 47 G C . 15941 1 537 . 1 1 47 47 GLY CA C 13 43.031 0.3 . 1 . . . . 47 G CA . 15941 1 538 . 1 1 47 47 GLY H H 1 8.486 0.02 . 1 . . . . 47 G H . 15941 1 539 . 1 1 47 47 GLY HA2 H 1 4.084 0.02 . 2 . . . . 47 G HA2 . 15941 1 540 . 1 1 47 47 GLY HA3 H 1 3.235 0.02 . 2 . . . . 47 G HA3 . 15941 1 541 . 1 1 47 47 GLY N N 15 108.139 0.3 . 1 . . . . 47 G N . 15941 1 542 . 1 1 48 48 THR C C 13 174.034 0.3 . 1 . . . . 48 T C . 15941 1 543 . 1 1 48 48 THR CA C 13 59.424 0.3 . 1 . . . . 48 T CA . 15941 1 544 . 1 1 48 48 THR CB C 13 69.878 0.3 . 1 . . . . 48 T CB . 15941 1 545 . 1 1 48 48 THR CG2 C 13 19.315 0.3 . 1 . . . . 48 T CG2 . 15941 1 546 . 1 1 48 48 THR H H 1 7.823 0.02 . 1 . . . . 48 T H . 15941 1 547 . 1 1 48 48 THR HA H 1 4.791 0.02 . 1 . . . . 48 T HA . 15941 1 548 . 1 1 48 48 THR HB H 1 3.919 0.02 . 1 . . . . 48 T HB . 15941 1 549 . 1 1 48 48 THR HG21 H 1 1.387 0.02 . 1 . . . . 48 T QG2 . 15941 1 550 . 1 1 48 48 THR HG22 H 1 1.387 0.02 . 1 . . . . 48 T QG2 . 15941 1 551 . 1 1 48 48 THR HG23 H 1 1.387 0.02 . 1 . . . . 48 T QG2 . 15941 1 552 . 1 1 48 48 THR N N 15 113.055 0.3 . 1 . . . . 48 T N . 15941 1 553 . 1 1 49 49 GLU CA C 13 51.644 0.3 . 1 . . . . 49 E CA . 15941 1 554 . 1 1 49 49 GLU CB C 13 27.916 0.3 . 1 . . . . 49 E CB . 15941 1 555 . 1 1 49 49 GLU CG C 13 29.718 0.3 . 1 . . . . 49 E CG . 15941 1 556 . 1 1 49 49 GLU H H 1 9.181 0.02 . 1 . . . . 49 E H . 15941 1 557 . 1 1 49 49 GLU HA H 1 4.653 0.02 . 1 . . . . 49 E HA . 15941 1 558 . 1 1 49 49 GLU HB2 H 1 2.043 0.02 . 2 . . . . 49 E QB . 15941 1 559 . 1 1 49 49 GLU HB3 H 1 2.043 0.02 . 2 . . . . 49 E QB . 15941 1 560 . 1 1 49 49 GLU HG2 H 1 2.404 0.02 . 2 . . . . 49 E HG2 . 15941 1 561 . 1 1 49 49 GLU HG3 H 1 2.457 0.02 . 2 . . . . 49 E HG3 . 15941 1 562 . 1 1 49 49 GLU N N 15 132.372 0.3 . 1 . . . . 49 E N . 15941 1 563 . 1 1 53 53 THR CA C 13 60.779 0.3 . 1 . . . . 53 T CA . 15941 1 564 . 1 1 53 53 THR CB C 13 69.212 0.3 . 1 . . . . 53 T CB . 15941 1 565 . 1 1 53 53 THR CG2 C 13 19.146 0.3 . 1 . . . . 53 T CG2 . 15941 1 566 . 1 1 53 53 THR H H 1 7.298 0.02 . 1 . . . . 53 T H . 15941 1 567 . 1 1 53 53 THR HA H 1 4.562 0.02 . 1 . . . . 53 T HA . 15941 1 568 . 1 1 53 53 THR HB H 1 4.210 0.02 . 1 . . . . 53 T HB . 15941 1 569 . 1 1 53 53 THR HG21 H 1 1.118 0.02 . 1 . . . . 53 T QG2 . 15941 1 570 . 1 1 53 53 THR HG22 H 1 1.118 0.02 . 1 . . . . 53 T QG2 . 15941 1 571 . 1 1 53 53 THR HG23 H 1 1.118 0.02 . 1 . . . . 53 T QG2 . 15941 1 572 . 1 1 53 53 THR N N 15 107.849 0.3 . 1 . . . . 53 T N . 15941 1 573 . 1 1 54 54 GLY CA C 13 43.054 0.3 . 1 . . . . 54 G CA . 15941 1 574 . 1 1 54 54 GLY H H 1 8.340 0.02 . 1 . . . . 54 G H . 15941 1 575 . 1 1 54 54 GLY HA2 H 1 4.339 0.02 . 2 . . . . 54 G HA2 . 15941 1 576 . 1 1 54 54 GLY HA3 H 1 3.880 0.02 . 2 . . . . 54 G HA3 . 15941 1 577 . 1 1 54 54 GLY N N 15 112.604 0.3 . 1 . . . . 54 G N . 15941 1 578 . 1 1 61 61 ASP C C 13 172.891 0.3 . 1 . . . . 61 D C . 15941 1 579 . 1 1 61 61 ASP CA C 13 52.955 0.3 . 1 . . . . 61 D CA . 15941 1 580 . 1 1 61 61 ASP CB C 13 40.300 0.3 . 1 . . . . 61 D CB . 15941 1 581 . 1 1 61 61 ASP H H 1 6.504 0.02 . 1 . . . . 61 D H . 15941 1 582 . 1 1 61 61 ASP HA H 1 4.566 0.02 . 1 . . . . 61 D HA . 15941 1 583 . 1 1 61 61 ASP HB2 H 1 2.667 0.02 . 2 . . . . 61 D HB2 . 15941 1 584 . 1 1 61 61 ASP HB3 H 1 2.058 0.02 . 2 . . . . 61 D HB3 . 15941 1 585 . 1 1 61 61 ASP N N 15 122.264 0.3 . 1 . . . . 61 D N . 15941 1 586 . 1 1 62 62 ASP C C 13 176.282 0.2 . 1 . . . . 62 D C . 15941 1 587 . 1 1 62 62 ASP CA C 13 52.060 0.3 . 1 . . . . 62 D CA . 15941 1 588 . 1 1 62 62 ASP CB C 13 41.112 0.3 . 1 . . . . 62 D CB . 15941 1 589 . 1 1 62 62 ASP H H 1 8.348 0.02 . 1 . . . . 62 D H . 15941 1 590 . 1 1 62 62 ASP HA H 1 5.057 0.02 . 1 . . . . 62 D HA . 15941 1 591 . 1 1 62 62 ASP HB2 H 1 2.832 0.02 . 2 . . . . 62 D HB2 . 15941 1 592 . 1 1 62 62 ASP HB3 H 1 2.799 0.02 . 2 . . . . 62 D HB3 . 15941 1 593 . 1 1 62 62 ASP N N 15 121.047 0.3 . 1 . . . . 62 D N . 15941 1 594 . 1 1 63 63 GLY C C 13 168.445 0.3 . 1 . . . . 63 G C . 15941 1 595 . 1 1 63 63 GLY CA C 13 44.631 0.3 . 1 . . . . 63 G CA . 15941 1 596 . 1 1 63 63 GLY H H 1 9.610 0.02 . 1 . . . . 63 G H . 15941 1 597 . 1 1 63 63 GLY HA2 H 1 4.569 0.02 . 2 . . . . 63 G HA2 . 15941 1 598 . 1 1 63 63 GLY HA3 H 1 3.245 0.02 . 2 . . . . 63 G HA3 . 15941 1 599 . 1 1 63 63 GLY N N 15 117.954 0.3 . 1 . . . . 63 G N . 15941 1 600 . 1 1 64 64 ILE C C 13 171.663 0.3 . 1 . . . . 64 I C . 15941 1 601 . 1 1 64 64 ILE CA C 13 55.874 0.3 . 1 . . . . 64 I CA . 15941 1 602 . 1 1 64 64 ILE CB C 13 40.374 0.3 . 1 . . . . 64 I CB . 15941 1 603 . 1 1 64 64 ILE CD1 C 13 11.669 0.3 . 1 . . . . 64 I CD1 . 15941 1 604 . 1 1 64 64 ILE CG1 C 13 24.514 0.3 . 1 . . . . 64 I CG1 . 15941 1 605 . 1 1 64 64 ILE CG2 C 13 15.791 0.3 . 1 . . . . 64 I CG2 . 15941 1 606 . 1 1 64 64 ILE H H 1 8.042 0.02 . 1 . . . . 64 I H . 15941 1 607 . 1 1 64 64 ILE HA H 1 5.272 0.02 . 1 . . . . 64 I HA . 15941 1 608 . 1 1 64 64 ILE HB H 1 1.784 0.02 . 1 . . . . 64 I HB . 15941 1 609 . 1 1 64 64 ILE HD11 H 1 0.782 0.02 . 1 . . . . 64 I QD1 . 15941 1 610 . 1 1 64 64 ILE HD12 H 1 0.782 0.02 . 1 . . . . 64 I QD1 . 15941 1 611 . 1 1 64 64 ILE HD13 H 1 0.782 0.02 . 1 . . . . 64 I QD1 . 15941 1 612 . 1 1 64 64 ILE HG12 H 1 1.111 0.02 . 2 . . . . 64 I HG12 . 15941 1 613 . 1 1 64 64 ILE HG13 H 1 0.988 0.02 . 2 . . . . 64 I HG13 . 15941 1 614 . 1 1 64 64 ILE HG21 H 1 0.895 0.02 . 1 . . . . 64 I QG2 . 15941 1 615 . 1 1 64 64 ILE HG22 H 1 0.895 0.02 . 1 . . . . 64 I QG2 . 15941 1 616 . 1 1 64 64 ILE HG23 H 1 0.895 0.02 . 1 . . . . 64 I QG2 . 15941 1 617 . 1 1 64 64 ILE N N 15 115.617 0.3 . 1 . . . . 64 I N . 15941 1 618 . 1 1 65 65 TYR C C 13 174.316 0.3 . 1 . . . . 65 Y C . 15941 1 619 . 1 1 65 65 TYR CA C 13 55.090 0.3 . 1 . . . . 65 Y CA . 15941 1 620 . 1 1 65 65 TYR CB C 13 38.721 0.3 . 1 . . . . 65 Y CB . 15941 1 621 . 1 1 65 65 TYR CD1 C 13 132.100 0.3 . 3 . . . . 65 Y CD1 . 15941 1 622 . 1 1 65 65 TYR CD2 C 13 132.100 0.3 . 3 . . . . 65 Y CD2 . 15941 1 623 . 1 1 65 65 TYR CE1 C 13 118.400 0.3 . 3 . . . . 65 Y CE1 . 15941 1 624 . 1 1 65 65 TYR CE2 C 13 118.400 0.3 . 3 . . . . 65 Y CE2 . 15941 1 625 . 1 1 65 65 TYR H H 1 9.548 0.02 . 1 . . . . 65 Y H . 15941 1 626 . 1 1 65 65 TYR HA H 1 5.101 0.02 . 1 . . . . 65 Y HA . 15941 1 627 . 1 1 65 65 TYR HB2 H 1 2.942 0.02 . 2 . . . . 65 Y HB2 . 15941 1 628 . 1 1 65 65 TYR HB3 H 1 2.716 0.02 . 2 . . . . 65 Y HB3 . 15941 1 629 . 1 1 65 65 TYR HD1 H 1 6.790 0.02 . 3 . . . . 65 Y QD . 15941 1 630 . 1 1 65 65 TYR HD2 H 1 6.790 0.02 . 3 . . . . 65 Y QD . 15941 1 631 . 1 1 65 65 TYR HE1 H 1 7.150 0.02 . 3 . . . . 65 Y QE . 15941 1 632 . 1 1 65 65 TYR HE2 H 1 7.150 0.02 . 3 . . . . 65 Y QE . 15941 1 633 . 1 1 65 65 TYR N N 15 120.967 0.3 . 1 . . . . 65 Y N . 15941 1 634 . 1 1 66 66 ARG C C 13 173.714 0.3 . 1 . . . . 66 R C . 15941 1 635 . 1 1 66 66 ARG CA C 13 52.134 0.3 . 1 . . . . 66 R CA . 15941 1 636 . 1 1 66 66 ARG CB C 13 33.517 0.3 . 1 . . . . 66 R CB . 15941 1 637 . 1 1 66 66 ARG CD C 13 42.663 0.3 . 1 . . . . 66 R CD . 15941 1 638 . 1 1 66 66 ARG CG C 13 26.352 0.3 . 1 . . . . 66 R CG . 15941 1 639 . 1 1 66 66 ARG H H 1 9.252 0.02 . 1 . . . . 66 R H . 15941 1 640 . 1 1 66 66 ARG HA H 1 5.052 0.02 . 1 . . . . 66 R HA . 15941 1 641 . 1 1 66 66 ARG HB2 H 1 1.486 0.02 . 2 . . . . 66 R HB2 . 15941 1 642 . 1 1 66 66 ARG HB3 H 1 1.415 0.02 . 2 . . . . 66 R HB3 . 15941 1 643 . 1 1 66 66 ARG HD2 H 1 3.173 0.02 . 2 . . . . 66 R HD2 . 15941 1 644 . 1 1 66 66 ARG HD3 H 1 2.893 0.02 . 2 . . . . 66 R HD3 . 15941 1 645 . 1 1 66 66 ARG HG2 H 1 1.825 0.02 . 2 . . . . 66 R QG . 15941 1 646 . 1 1 66 66 ARG HG3 H 1 1.825 0.02 . 2 . . . . 66 R QG . 15941 1 647 . 1 1 66 66 ARG N N 15 125.106 0.3 . 1 . . . . 66 R N . 15941 1 648 . 1 1 67 67 CYS C C 13 177.609 0.3 . 1 . . . . 67 C C . 15941 1 649 . 1 1 67 67 CYS CA C 13 58.660 0.3 . 1 . . . . 67 C CA . 15941 1 650 . 1 1 67 67 CYS CB C 13 29.084 0.3 . 1 . . . . 67 C CB . 15941 1 651 . 1 1 67 67 CYS H H 1 9.041 0.02 . 1 . . . . 67 C H . 15941 1 652 . 1 1 67 67 CYS HA H 1 4.211 0.02 . 1 . . . . 67 C HA . 15941 1 653 . 1 1 67 67 CYS HB2 H 1 3.212 0.02 . 2 . . . . 67 C HB2 . 15941 1 654 . 1 1 67 67 CYS HB3 H 1 3.082 0.02 . 2 . . . . 67 C HB3 . 15941 1 655 . 1 1 67 67 CYS N N 15 124.712 0.3 . 1 . . . . 67 C N . 15941 1 656 . 1 1 68 68 ILE C C 13 173.370 0.3 . 1 . . . . 68 I C . 15941 1 657 . 1 1 68 68 ILE CA C 13 61.341 0.3 . 1 . . . . 68 I CA . 15941 1 658 . 1 1 68 68 ILE CB C 13 37.514 0.3 . 1 . . . . 68 I CB . 15941 1 659 . 1 1 68 68 ILE CD1 C 13 13.163 0.3 . 1 . . . . 68 I CD1 . 15941 1 660 . 1 1 68 68 ILE CG1 C 13 29.091 0.3 . 1 . . . . 68 I CG1 . 15941 1 661 . 1 1 68 68 ILE CG2 C 13 16.370 0.3 . 1 . . . . 68 I CG2 . 15941 1 662 . 1 1 68 68 ILE H H 1 8.585 0.02 . 1 . . . . 68 I H . 15941 1 663 . 1 1 68 68 ILE HA H 1 3.977 0.02 . 1 . . . . 68 I HA . 15941 1 664 . 1 1 68 68 ILE HB H 1 1.428 0.02 . 1 . . . . 68 I HB . 15941 1 665 . 1 1 68 68 ILE HD11 H 1 1.069 0.02 . 1 . . . . 68 I QD1 . 15941 1 666 . 1 1 68 68 ILE HD12 H 1 1.069 0.02 . 1 . . . . 68 I QD1 . 15941 1 667 . 1 1 68 68 ILE HD13 H 1 1.069 0.02 . 1 . . . . 68 I QD1 . 15941 1 668 . 1 1 68 68 ILE HG12 H 1 1.510 0.02 . 2 . . . . 68 I HG12 . 15941 1 669 . 1 1 68 68 ILE HG13 H 1 1.474 0.02 . 2 . . . . 68 I HG13 . 15941 1 670 . 1 1 68 68 ILE HG21 H 1 1.138 0.02 . 1 . . . . 68 I QG2 . 15941 1 671 . 1 1 68 68 ILE HG22 H 1 1.138 0.02 . 1 . . . . 68 I QG2 . 15941 1 672 . 1 1 68 68 ILE HG23 H 1 1.138 0.02 . 1 . . . . 68 I QG2 . 15941 1 673 . 1 1 68 68 ILE N N 15 134.329 0.3 . 1 . . . . 68 I N . 15941 1 674 . 1 1 69 69 CYS C C 13 174.697 0.3 . 1 . . . . 69 C C . 15941 1 675 . 1 1 69 69 CYS CA C 13 60.559 0.3 . 1 . . . . 69 C CA . 15941 1 676 . 1 1 69 69 CYS CB C 13 27.129 0.3 . 1 . . . . 69 C CB . 15941 1 677 . 1 1 69 69 CYS H H 1 8.824 0.02 . 1 . . . . 69 C H . 15941 1 678 . 1 1 69 69 CYS HA H 1 4.220 0.02 . 1 . . . . 69 C HA . 15941 1 679 . 1 1 69 69 CYS HB2 H 1 3.718 0.02 . 2 . . . . 69 C HB2 . 15941 1 680 . 1 1 69 69 CYS HB3 H 1 2.465 0.02 . 2 . . . . 69 C HB3 . 15941 1 681 . 1 1 69 69 CYS N N 15 123.148 0.3 . 1 . . . . 69 C N . 15941 1 682 . 1 1 70 70 CYS C C 13 175.496 0.3 . 1 . . . . 70 C C . 15941 1 683 . 1 1 70 70 CYS CA C 13 56.390 0.3 . 1 . . . . 70 C CA . 15941 1 684 . 1 1 70 70 CYS CB C 13 32.645 0.3 . 1 . . . . 70 C CB . 15941 1 685 . 1 1 70 70 CYS H H 1 8.291 0.02 . 1 . . . . 70 C H . 15941 1 686 . 1 1 70 70 CYS HA H 1 5.166 0.02 . 1 . . . . 70 C HA . 15941 1 687 . 1 1 70 70 CYS HB2 H 1 3.391 0.02 . 2 . . . . 70 C HB2 . 15941 1 688 . 1 1 70 70 CYS HB3 H 1 2.533 0.02 . 2 . . . . 70 C HB3 . 15941 1 689 . 1 1 70 70 CYS N N 15 117.003 0.3 . 1 . . . . 70 C N . 15941 1 690 . 1 1 71 71 GLY C C 13 171.847 0.3 . 1 . . . . 71 G C . 15941 1 691 . 1 1 71 71 GLY CA C 13 44.473 0.3 . 1 . . . . 71 G CA . 15941 1 692 . 1 1 71 71 GLY H H 1 8.347 0.02 . 1 . . . . 71 G H . 15941 1 693 . 1 1 71 71 GLY HA2 H 1 4.258 0.02 . 2 . . . . 71 G HA2 . 15941 1 694 . 1 1 71 71 GLY HA3 H 1 3.760 0.02 . 2 . . . . 71 G HA3 . 15941 1 695 . 1 1 71 71 GLY N N 15 115.232 0.3 . 1 . . . . 71 G N . 15941 1 696 . 1 1 72 72 THR C C 13 172.179 0.3 . 1 . . . . 72 T C . 15941 1 697 . 1 1 72 72 THR CA C 13 63.772 0.3 . 1 . . . . 72 T CA . 15941 1 698 . 1 1 72 72 THR CB C 13 68.069 0.3 . 1 . . . . 72 T CB . 15941 1 699 . 1 1 72 72 THR CG2 C 13 19.795 0.3 . 1 . . . . 72 T CG2 . 15941 1 700 . 1 1 72 72 THR H H 1 8.361 0.02 . 1 . . . . 72 T H . 15941 1 701 . 1 1 72 72 THR HA H 1 3.873 0.02 . 1 . . . . 72 T HA . 15941 1 702 . 1 1 72 72 THR HB H 1 4.071 0.02 . 1 . . . . 72 T HB . 15941 1 703 . 1 1 72 72 THR HG21 H 1 1.361 0.02 . 1 . . . . 72 T QG2 . 15941 1 704 . 1 1 72 72 THR HG22 H 1 1.361 0.02 . 1 . . . . 72 T QG2 . 15941 1 705 . 1 1 72 72 THR HG23 H 1 1.361 0.02 . 1 . . . . 72 T QG2 . 15941 1 706 . 1 1 72 72 THR N N 15 123.424 0.3 . 1 . . . . 72 T N . 15941 1 707 . 1 1 73 73 ASP C C 13 173.321 0.3 . 1 . . . . 73 D C . 15941 1 708 . 1 1 73 73 ASP CA C 13 54.965 0.3 . 1 . . . . 73 D CA . 15941 1 709 . 1 1 73 73 ASP CB C 13 40.954 0.3 . 1 . . . . 73 D CB . 15941 1 710 . 1 1 73 73 ASP H H 1 9.213 0.02 . 1 . . . . 73 D H . 15941 1 711 . 1 1 73 73 ASP HA H 1 4.248 0.02 . 1 . . . . 73 D HA . 15941 1 712 . 1 1 73 73 ASP HB2 H 1 2.530 0.02 . 2 . . . . 73 D HB2 . 15941 1 713 . 1 1 73 73 ASP HB3 H 1 2.341 0.02 . 2 . . . . 73 D HB3 . 15941 1 714 . 1 1 73 73 ASP N N 15 130.183 0.3 . 1 . . . . 73 D N . 15941 1 715 . 1 1 74 74 LEU C C 13 173.727 0.3 . 1 . . . . 74 L C . 15941 1 716 . 1 1 74 74 LEU CA C 13 54.644 0.3 . 1 . . . . 74 L CA . 15941 1 717 . 1 1 74 74 LEU CB C 13 45.573 0.3 . 1 . . . . 74 L CB . 15941 1 718 . 1 1 74 74 LEU CD1 C 13 27.032 0.3 . 2 . . . . 74 L CD1 . 15941 1 719 . 1 1 74 74 LEU CD2 C 13 21.206 0.3 . 2 . . . . 74 L CD2 . 15941 1 720 . 1 1 74 74 LEU CG C 13 23.852 0.3 . 1 . . . . 74 L CG . 15941 1 721 . 1 1 74 74 LEU H H 1 8.230 0.02 . 1 . . . . 74 L H . 15941 1 722 . 1 1 74 74 LEU HA H 1 4.435 0.02 . 1 . . . . 74 L HA . 15941 1 723 . 1 1 74 74 LEU HB2 H 1 1.356 0.02 . 2 . . . . 74 L HB2 . 15941 1 724 . 1 1 74 74 LEU HB3 H 1 0.373 0.02 . 2 . . . . 74 L HB3 . 15941 1 725 . 1 1 74 74 LEU HD11 H 1 0.710 0.02 . 1 . . . . 74 L QD1 . 15941 1 726 . 1 1 74 74 LEU HD12 H 1 0.710 0.02 . 1 . . . . 74 L QD1 . 15941 1 727 . 1 1 74 74 LEU HD13 H 1 0.710 0.02 . 1 . . . . 74 L QD1 . 15941 1 728 . 1 1 74 74 LEU HD21 H 1 0.570 0.02 . 1 . . . . 74 L QD2 . 15941 1 729 . 1 1 74 74 LEU HD22 H 1 0.570 0.02 . 1 . . . . 74 L QD2 . 15941 1 730 . 1 1 74 74 LEU HD23 H 1 0.570 0.02 . 1 . . . . 74 L QD2 . 15941 1 731 . 1 1 74 74 LEU HG H 1 1.670 0.02 . 1 . . . . 74 L HG . 15941 1 732 . 1 1 74 74 LEU N N 15 121.647 0.3 . 1 . . . . 74 L N . 15941 1 733 . 1 1 75 75 PHE C C 13 172.216 0.3 . 1 . . . . 75 F C . 15941 1 734 . 1 1 75 75 PHE CA C 13 54.248 0.3 . 1 . . . . 75 F CA . 15941 1 735 . 1 1 75 75 PHE CB C 13 42.687 0.3 . 1 . . . . 75 F CB . 15941 1 736 . 1 1 75 75 PHE CD1 C 13 128.800 0.3 . 3 . . . . 75 F CD1 . 15941 1 737 . 1 1 75 75 PHE CD2 C 13 128.800 0.3 . 3 . . . . 75 F CD2 . 15941 1 738 . 1 1 75 75 PHE H H 1 7.653 0.02 . 1 . . . . 75 F H . 15941 1 739 . 1 1 75 75 PHE HA H 1 4.911 0.02 . 1 . . . . 75 F HA . 15941 1 740 . 1 1 75 75 PHE HB2 H 1 2.019 0.02 . 2 . . . . 75 F HB2 . 15941 1 741 . 1 1 75 75 PHE HB3 H 1 1.543 0.02 . 2 . . . . 75 F HB3 . 15941 1 742 . 1 1 75 75 PHE HD1 H 1 6.720 0.02 . 3 . . . . 75 F QD . 15941 1 743 . 1 1 75 75 PHE HD2 H 1 6.720 0.02 . 3 . . . . 75 F QD . 15941 1 744 . 1 1 75 75 PHE N N 15 113.962 0.3 . 1 . . . . 75 F N . 15941 1 745 . 1 1 76 76 ASP C C 13 176.466 0.3 . 1 . . . . 76 D C . 15941 1 746 . 1 1 76 76 ASP CA C 13 51.331 0.3 . 1 . . . . 76 D CA . 15941 1 747 . 1 1 76 76 ASP CB C 13 43.376 0.3 . 1 . . . . 76 D CB . 15941 1 748 . 1 1 76 76 ASP H H 1 9.775 0.02 . 1 . . . . 76 D H . 15941 1 749 . 1 1 76 76 ASP HA H 1 5.182 0.02 . 1 . . . . 76 D HA . 15941 1 750 . 1 1 76 76 ASP HB2 H 1 2.352 0.02 . 2 . . . . 76 D HB2 . 15941 1 751 . 1 1 76 76 ASP HB3 H 1 2.823 0.02 . 2 . . . . 76 D HB3 . 15941 1 752 . 1 1 76 76 ASP N N 15 126.595 0.3 . 1 . . . . 76 D N . 15941 1 753 . 1 1 77 77 SER C C 13 175.459 0.3 . 1 . . . . 77 S C . 15941 1 754 . 1 1 77 77 SER CA C 13 61.263 0.3 . 1 . . . . 77 S CA . 15941 1 755 . 1 1 77 77 SER CB C 13 63.247 0.3 . 1 . . . . 77 S CB . 15941 1 756 . 1 1 77 77 SER H H 1 9.548 0.02 . 1 . . . . 77 S H . 15941 1 757 . 1 1 77 77 SER HA H 1 4.330 0.02 . 1 . . . . 77 S HA . 15941 1 758 . 1 1 77 77 SER HB2 H 1 4.400 0.02 . 2 . . . . 77 S HB2 . 15941 1 759 . 1 1 77 77 SER HB3 H 1 4.289 0.02 . 2 . . . . 77 S HB3 . 15941 1 760 . 1 1 77 77 SER N N 15 127.239 0.3 . 1 . . . . 77 S N . 15941 1 761 . 1 1 78 78 GLU C C 13 176.442 0.3 . 1 . . . . 78 E C . 15941 1 762 . 1 1 78 78 GLU CA C 13 57.429 0.3 . 1 . . . . 78 E CA . 15941 1 763 . 1 1 78 78 GLU CB C 13 28.087 0.3 . 1 . . . . 78 E CB . 15941 1 764 . 1 1 78 78 GLU CG C 13 35.307 0.3 . 1 . . . . 78 E CG . 15941 1 765 . 1 1 78 78 GLU H H 1 10.271 0.02 . 1 . . . . 78 E H . 15941 1 766 . 1 1 78 78 GLU HA H 1 4.402 0.02 . 1 . . . . 78 E HA . 15941 1 767 . 1 1 78 78 GLU HB2 H 1 2.147 0.02 . 2 . . . . 78 E QB . 15941 1 768 . 1 1 78 78 GLU HB3 H 1 2.147 0.02 . 2 . . . . 78 E QB . 15941 1 769 . 1 1 78 78 GLU HG2 H 1 2.482 0.02 . 2 . . . . 78 E HG2 . 15941 1 770 . 1 1 78 78 GLU HG3 H 1 2.375 0.02 . 2 . . . . 78 E HG3 . 15941 1 771 . 1 1 78 78 GLU N N 15 127.598 0.3 . 1 . . . . 78 E N . 15941 1 772 . 1 1 79 79 THR C C 13 172.093 0.3 . 1 . . . . 79 T C . 15941 1 773 . 1 1 79 79 THR CA C 13 59.286 0.3 . 1 . . . . 79 T CA . 15941 1 774 . 1 1 79 79 THR CB C 13 67.366 0.3 . 1 . . . . 79 T CB . 15941 1 775 . 1 1 79 79 THR CG2 C 13 20.802 0.3 . 1 . . . . 79 T CG2 . 15941 1 776 . 1 1 79 79 THR H H 1 8.283 0.02 . 1 . . . . 79 T H . 15941 1 777 . 1 1 79 79 THR HA H 1 4.367 0.02 . 1 . . . . 79 T HA . 15941 1 778 . 1 1 79 79 THR HB H 1 3.351 0.02 . 1 . . . . 79 T HB . 15941 1 779 . 1 1 79 79 THR HG21 H 1 0.977 0.02 . 1 . . . . 79 T QG2 . 15941 1 780 . 1 1 79 79 THR HG22 H 1 0.977 0.02 . 1 . . . . 79 T QG2 . 15941 1 781 . 1 1 79 79 THR HG23 H 1 0.977 0.02 . 1 . . . . 79 T QG2 . 15941 1 782 . 1 1 79 79 THR N N 15 109.035 0.3 . 1 . . . . 79 T N . 15941 1 783 . 1 1 80 80 LYS C C 13 175.176 0.3 . 1 . . . . 80 K C . 15941 1 784 . 1 1 80 80 LYS CA C 13 54.219 0.3 . 1 . . . . 80 K CA . 15941 1 785 . 1 1 80 80 LYS CB C 13 33.453 0.3 . 1 . . . . 80 K CB . 15941 1 786 . 1 1 80 80 LYS CD C 13 27.027 0.3 . 1 . . . . 80 K CD . 15941 1 787 . 1 1 80 80 LYS CE C 13 40.413 0.3 . 1 . . . . 80 K CE . 15941 1 788 . 1 1 80 80 LYS CG C 13 23.036 0.3 . 1 . . . . 80 K CG . 15941 1 789 . 1 1 80 80 LYS H H 1 7.694 0.02 . 1 . . . . 80 K H . 15941 1 790 . 1 1 80 80 LYS HA H 1 4.679 0.02 . 1 . . . . 80 K HA . 15941 1 791 . 1 1 80 80 LYS HB2 H 1 2.140 0.02 . 2 . . . . 80 K QB . 15941 1 792 . 1 1 80 80 LYS HB3 H 1 2.140 0.02 . 2 . . . . 80 K QB . 15941 1 793 . 1 1 80 80 LYS HD2 H 1 1.671 0.02 . 2 . . . . 80 K QD . 15941 1 794 . 1 1 80 80 LYS HD3 H 1 1.671 0.02 . 2 . . . . 80 K QD . 15941 1 795 . 1 1 80 80 LYS HE2 H 1 3.023 0.02 . 2 . . . . 80 K QE . 15941 1 796 . 1 1 80 80 LYS HE3 H 1 3.023 0.02 . 2 . . . . 80 K QE . 15941 1 797 . 1 1 80 80 LYS HG2 H 1 1.480 0.02 . 2 . . . . 80 K QG . 15941 1 798 . 1 1 80 80 LYS HG3 H 1 1.480 0.02 . 2 . . . . 80 K QG . 15941 1 799 . 1 1 80 80 LYS N N 15 127.383 0.3 . 1 . . . . 80 K N . 15941 1 800 . 1 1 81 81 PHE CA C 13 53.480 0.3 . 1 . . . . 81 F CA . 15941 1 801 . 1 1 81 81 PHE CB C 13 40.292 0.3 . 1 . . . . 81 F CB . 15941 1 802 . 1 1 81 81 PHE H H 1 8.495 0.02 . 1 . . . . 81 F H . 15941 1 803 . 1 1 81 81 PHE HA H 1 5.174 0.02 . 1 . . . . 81 F HA . 15941 1 804 . 1 1 81 81 PHE HB2 H 1 3.185 0.02 . 2 . . . . 81 F HB2 . 15941 1 805 . 1 1 81 81 PHE HB3 H 1 3.132 0.02 . 2 . . . . 81 F HB3 . 15941 1 806 . 1 1 81 81 PHE N N 15 125.337 0.3 . 1 . . . . 81 F N . 15941 1 807 . 1 1 82 82 ASP H H 1 8.582 0.02 . 1 . . . . 82 D H . 15941 1 808 . 1 1 82 82 ASP HA H 1 3.944 0.02 . 1 . . . . 82 D HA . 15941 1 809 . 1 1 82 82 ASP HB2 H 1 3.096 0.02 . 2 . . . . 82 D HB2 . 15941 1 810 . 1 1 82 82 ASP HB3 H 1 3.206 0.02 . 2 . . . . 82 D HB3 . 15941 1 811 . 1 1 82 82 ASP N N 15 112.994 0.3 . 1 . . . . 82 D N . 15941 1 812 . 1 1 84 84 GLY CA C 13 44.404 0.3 . 1 . . . . 84 G CA . 15941 1 813 . 1 1 84 84 GLY HA2 H 1 4.056 0.02 . 2 . . . . 84 G HA2 . 15941 1 814 . 1 1 84 84 GLY HA3 H 1 4.209 0.02 . 2 . . . . 84 G HA3 . 15941 1 815 . 1 1 85 85 THR C C 13 172.781 0.3 . 1 . . . . 85 T C . 15941 1 816 . 1 1 85 85 THR CA C 13 60.167 0.3 . 1 . . . . 85 T CA . 15941 1 817 . 1 1 85 85 THR CB C 13 69.666 0.3 . 1 . . . . 85 T CB . 15941 1 818 . 1 1 85 85 THR CG2 C 13 19.799 0.3 . 1 . . . . 85 T CG2 . 15941 1 819 . 1 1 85 85 THR H H 1 7.495 0.02 . 1 . . . . 85 T H . 15941 1 820 . 1 1 85 85 THR HA H 1 4.254 0.02 . 1 . . . . 85 T HA . 15941 1 821 . 1 1 85 85 THR HB H 1 4.528 0.02 . 1 . . . . 85 T HB . 15941 1 822 . 1 1 85 85 THR HG21 H 1 1.225 0.02 . 1 . . . . 85 T QG2 . 15941 1 823 . 1 1 85 85 THR HG22 H 1 1.225 0.02 . 1 . . . . 85 T QG2 . 15941 1 824 . 1 1 85 85 THR HG23 H 1 1.225 0.02 . 1 . . . . 85 T QG2 . 15941 1 825 . 1 1 85 85 THR N N 15 107.843 0.3 . 1 . . . . 85 T N . 15941 1 826 . 1 1 86 86 GLY C C 13 172.068 0.3 . 1 . . . . 86 G C . 15941 1 827 . 1 1 86 86 GLY CA C 13 41.429 0.3 . 1 . . . . 86 G CA . 15941 1 828 . 1 1 86 86 GLY H H 1 7.877 0.02 . 1 . . . . 86 G H . 15941 1 829 . 1 1 86 86 GLY HA2 H 1 1.945 0.02 . 2 . . . . 86 G HA2 . 15941 1 830 . 1 1 86 86 GLY HA3 H 1 1.730 0.02 . 2 . . . . 86 G HA3 . 15941 1 831 . 1 1 86 86 GLY N N 15 106.968 0.3 . 1 . . . . 86 G N . 15941 1 832 . 1 1 87 87 TRP CA C 13 56.271 0.3 . 1 . . . . 87 W CA . 15941 1 833 . 1 1 87 87 TRP CB C 13 28.017 0.3 . 1 . . . . 87 W CB . 15941 1 834 . 1 1 87 87 TRP CD1 C 13 125.382 0.3 . 1 . . . . 87 W CD1 . 15941 1 835 . 1 1 87 87 TRP CE3 C 13 131.300 0.3 . 1 . . . . 87 W CE3 . 15941 1 836 . 1 1 87 87 TRP CH2 C 13 125.400 0.3 . 1 . . . . 87 W CH2 . 15941 1 837 . 1 1 87 87 TRP CZ2 C 13 129.970 0.3 . 1 . . . . 87 W CZ2 . 15941 1 838 . 1 1 87 87 TRP CZ3 C 13 127.200 0.3 . 1 . . . . 87 W CZ3 . 15941 1 839 . 1 1 87 87 TRP H H 1 7.112 0.02 . 1 . . . . 87 W H . 15941 1 840 . 1 1 87 87 TRP HA H 1 5.036 0.02 . 1 . . . . 87 W HA . 15941 1 841 . 1 1 87 87 TRP HB2 H 1 3.971 0.02 . 2 . . . . 87 W HB2 . 15941 1 842 . 1 1 87 87 TRP HB3 H 1 2.710 0.02 . 2 . . . . 87 W HB3 . 15941 1 843 . 1 1 87 87 TRP HD1 H 1 7.660 0.02 . 1 . . . . 87 W HD1 . 15941 1 844 . 1 1 87 87 TRP HE3 H 1 5.770 0.02 . 1 . . . . 87 W HE3 . 15941 1 845 . 1 1 87 87 TRP HH2 H 1 5.070 0.02 . 1 . . . . 87 W HH2 . 15941 1 846 . 1 1 87 87 TRP HZ2 H 1 6.560 0.02 . 1 . . . . 87 W HZ2 . 15941 1 847 . 1 1 87 87 TRP HZ3 H 1 5.770 0.02 . 1 . . . . 87 W HZ3 . 15941 1 848 . 1 1 87 87 TRP N N 15 120.841 0.3 . 1 . . . . 87 W N . 15941 1 849 . 1 1 88 88 PRO CA C 13 60.877 0.3 . 1 . . . . 88 P CA . 15941 1 850 . 1 1 88 88 PRO CB C 13 30.947 0.3 . 1 . . . . 88 P CB . 15941 1 851 . 1 1 88 88 PRO CD C 13 49.232 0.3 . 1 . . . . 88 P CD . 15941 1 852 . 1 1 88 88 PRO CG C 13 26.044 0.3 . 1 . . . . 88 P CG . 15941 1 853 . 1 1 88 88 PRO HA H 1 4.140 0.02 . 1 . . . . 88 P HA . 15941 1 854 . 1 1 88 88 PRO HB2 H 1 2.559 0.02 . 2 . . . . 88 P HB2 . 15941 1 855 . 1 1 88 88 PRO HB3 H 1 1.837 0.02 . 2 . . . . 88 P HB3 . 15941 1 856 . 1 1 88 88 PRO HD2 H 1 3.532 0.02 . 2 . . . . 88 P HD2 . 15941 1 857 . 1 1 88 88 PRO HD3 H 1 3.367 0.02 . 2 . . . . 88 P HD3 . 15941 1 858 . 1 1 88 88 PRO HG2 H 1 2.072 0.02 . 2 . . . . 88 P HG2 . 15941 1 859 . 1 1 88 88 PRO HG3 H 1 2.025 0.02 . 2 . . . . 88 P HG3 . 15941 1 860 . 1 1 89 89 SER C C 13 169.022 0.3 . 2 . . . . 89 S C . 15941 1 861 . 1 1 89 89 SER CA C 13 54.394 0.3 . 1 . . . . 89 S CA . 15941 1 862 . 1 1 89 89 SER CB C 13 64.701 0.3 . 1 . . . . 89 S CB . 15941 1 863 . 1 1 89 89 SER H H 1 7.944 0.02 . 1 . . . . 89 S H . 15941 1 864 . 1 1 89 89 SER HA H 1 5.639 0.02 . 1 . . . . 89 S HA . 15941 1 865 . 1 1 89 89 SER HB2 H 1 3.100 0.02 . 2 . . . . 89 S HB2 . 15941 1 866 . 1 1 89 89 SER HB3 H 1 2.928 0.02 . 2 . . . . 89 S HB3 . 15941 1 867 . 1 1 89 89 SER N N 15 119.836 0.3 . 1 . . . . 89 S N . 15941 1 868 . 1 1 90 90 PHE C C 13 176.085 0.3 . 1 . . . . 90 F C . 15941 1 869 . 1 1 90 90 PHE CA C 13 53.537 0.3 . 1 . . . . 90 F CA . 15941 1 870 . 1 1 90 90 PHE CB C 13 41.721 0.3 . 1 . . . . 90 F CB . 15941 1 871 . 1 1 90 90 PHE H H 1 8.206 0.02 . 1 . . . . 90 F H . 15941 1 872 . 1 1 90 90 PHE HA H 1 5.762 0.02 . 1 . . . . 90 F HA . 15941 1 873 . 1 1 90 90 PHE HB2 H 1 3.581 0.02 . 2 . . . . 90 F HB2 . 15941 1 874 . 1 1 90 90 PHE HB3 H 1 2.196 0.02 . 2 . . . . 90 F HB3 . 15941 1 875 . 1 1 90 90 PHE N N 15 121.067 0.3 . 1 . . . . 90 F N . 15941 1 876 . 1 1 91 91 TYR C C 13 173.800 0.3 . 1 . . . . 91 Y C . 15941 1 877 . 1 1 91 91 TYR CA C 13 54.844 0.3 . 1 . . . . 91 Y CA . 15941 1 878 . 1 1 91 91 TYR CB C 13 36.668 0.3 . 1 . . . . 91 Y CB . 15941 1 879 . 1 1 91 91 TYR CD1 C 13 132.790 0.3 . 3 . . . . 91 Y CD1 . 15941 1 880 . 1 1 91 91 TYR CD2 C 13 132.790 0.3 . 3 . . . . 91 Y CD2 . 15941 1 881 . 1 1 91 91 TYR CE1 C 13 117.350 0.3 . 3 . . . . 91 Y CE1 . 15941 1 882 . 1 1 91 91 TYR CE2 C 13 117.350 0.3 . 3 . . . . 91 Y CE2 . 15941 1 883 . 1 1 91 91 TYR H H 1 9.361 0.02 . 1 . . . . 91 Y H . 15941 1 884 . 1 1 91 91 TYR HA H 1 6.157 0.02 . 1 . . . . 91 Y HA . 15941 1 885 . 1 1 91 91 TYR HB2 H 1 3.886 0.02 . 2 . . . . 91 Y HB2 . 15941 1 886 . 1 1 91 91 TYR HB3 H 1 2.615 0.02 . 2 . . . . 91 Y HB3 . 15941 1 887 . 1 1 91 91 TYR HD1 H 1 7.120 0.02 . 3 . . . . 91 Y QD . 15941 1 888 . 1 1 91 91 TYR HD2 H 1 7.120 0.02 . 3 . . . . 91 Y QD . 15941 1 889 . 1 1 91 91 TYR HE1 H 1 7.000 0.02 . 3 . . . . 91 Y QE . 15941 1 890 . 1 1 91 91 TYR HE2 H 1 7.000 0.02 . 3 . . . . 91 Y QE . 15941 1 891 . 1 1 91 91 TYR N N 15 119.600 0.3 . 1 . . . . 91 Y N . 15941 1 892 . 1 1 92 92 ASP C C 13 172.609 0.3 . 1 . . . . 92 D C . 15941 1 893 . 1 1 92 92 ASP CA C 13 51.386 0.3 . 1 . . . . 92 D CA . 15941 1 894 . 1 1 92 92 ASP CB C 13 42.713 0.3 . 1 . . . . 92 D CB . 15941 1 895 . 1 1 92 92 ASP H H 1 7.769 0.02 . 1 . . . . 92 D H . 15941 1 896 . 1 1 92 92 ASP HA H 1 5.174 0.02 . 1 . . . . 92 D HA . 15941 1 897 . 1 1 92 92 ASP HB2 H 1 2.922 0.02 . 2 . . . . 92 D HB2 . 15941 1 898 . 1 1 92 92 ASP HB3 H 1 2.544 0.02 . 2 . . . . 92 D HB3 . 15941 1 899 . 1 1 92 92 ASP N N 15 121.058 0.3 . 1 . . . . 92 D N . 15941 1 900 . 1 1 93 93 VAL C C 13 175.704 0.3 . 1 . . . . 93 V C . 15941 1 901 . 1 1 93 93 VAL CA C 13 56.981 0.3 . 1 . . . . 93 V CA . 15941 1 902 . 1 1 93 93 VAL CB C 13 33.295 0.3 . 1 . . . . 93 V CB . 15941 1 903 . 1 1 93 93 VAL CG1 C 13 16.925 0.3 . 2 . . . . 93 V CG1 . 15941 1 904 . 1 1 93 93 VAL CG2 C 13 19.517 0.3 . 2 . . . . 93 V CG2 . 15941 1 905 . 1 1 93 93 VAL H H 1 8.417 0.02 . 1 . . . . 93 V H . 15941 1 906 . 1 1 93 93 VAL HA H 1 4.351 0.02 . 1 . . . . 93 V HA . 15941 1 907 . 1 1 93 93 VAL HB H 1 1.485 0.02 . 1 . . . . 93 V HB . 15941 1 908 . 1 1 93 93 VAL HG11 H 1 0.443 0.02 . 1 . . . . 93 V QG1 . 15941 1 909 . 1 1 93 93 VAL HG12 H 1 0.443 0.02 . 1 . . . . 93 V QG1 . 15941 1 910 . 1 1 93 93 VAL HG13 H 1 0.443 0.02 . 1 . . . . 93 V QG1 . 15941 1 911 . 1 1 93 93 VAL HG21 H 1 0.163 0.02 . 1 . . . . 93 V QG2 . 15941 1 912 . 1 1 93 93 VAL HG22 H 1 0.163 0.02 . 1 . . . . 93 V QG2 . 15941 1 913 . 1 1 93 93 VAL HG23 H 1 0.163 0.02 . 1 . . . . 93 V QG2 . 15941 1 914 . 1 1 93 93 VAL N N 15 114.532 0.3 . 1 . . . . 93 V N . 15941 1 915 . 1 1 94 94 VAL C C 13 174.501 0.3 . 1 . . . . 94 V C . 15941 1 916 . 1 1 94 94 VAL CA C 13 62.180 0.3 . 1 . . . . 94 V CA . 15941 1 917 . 1 1 94 94 VAL CB C 13 29.400 0.3 . 1 . . . . 94 V CB . 15941 1 918 . 1 1 94 94 VAL CG1 C 13 19.916 0.3 . 2 . . . . 94 V CG1 . 15941 1 919 . 1 1 94 94 VAL CG2 C 13 17.941 0.3 . 2 . . . . 94 V CG2 . 15941 1 920 . 1 1 94 94 VAL H H 1 7.779 0.02 . 1 . . . . 94 V H . 15941 1 921 . 1 1 94 94 VAL HA H 1 3.758 0.02 . 1 . . . . 94 V HA . 15941 1 922 . 1 1 94 94 VAL HB H 1 1.820 0.02 . 1 . . . . 94 V HB . 15941 1 923 . 1 1 94 94 VAL HG11 H 1 0.746 0.02 . 1 . . . . 94 V QG1 . 15941 1 924 . 1 1 94 94 VAL HG12 H 1 0.746 0.02 . 1 . . . . 94 V QG1 . 15941 1 925 . 1 1 94 94 VAL HG13 H 1 0.746 0.02 . 1 . . . . 94 V QG1 . 15941 1 926 . 1 1 94 94 VAL HG21 H 1 0.665 0.02 . 1 . . . . 94 V QG2 . 15941 1 927 . 1 1 94 94 VAL HG22 H 1 0.665 0.02 . 1 . . . . 94 V QG2 . 15941 1 928 . 1 1 94 94 VAL HG23 H 1 0.665 0.02 . 1 . . . . 94 V QG2 . 15941 1 929 . 1 1 94 94 VAL N N 15 117.782 0.3 . 1 . . . . 94 V N . 15941 1 930 . 1 1 95 95 SER C C 13 174.046 0.3 . 1 . . . . 95 S C . 15941 1 931 . 1 1 95 95 SER CA C 13 55.894 0.3 . 1 . . . . 95 S CA . 15941 1 932 . 1 1 95 95 SER CB C 13 63.139 0.3 . 1 . . . . 95 S CB . 15941 1 933 . 1 1 95 95 SER H H 1 6.385 0.02 . 1 . . . . 95 S H . 15941 1 934 . 1 1 95 95 SER HA H 1 4.089 0.02 . 1 . . . . 95 S HA . 15941 1 935 . 1 1 95 95 SER HB2 H 1 3.552 0.02 . 2 . . . . 95 S HB2 . 15941 1 936 . 1 1 95 95 SER HB3 H 1 3.021 0.02 . 2 . . . . 95 S HB3 . 15941 1 937 . 1 1 95 95 SER N N 15 109.871 0.3 . 1 . . . . 95 S N . 15941 1 938 . 1 1 96 96 GLU C C 13 175.066 0.3 . 1 . . . . 96 E C . 15941 1 939 . 1 1 96 96 GLU CA C 13 56.795 0.3 . 1 . . . . 96 E CA . 15941 1 940 . 1 1 96 96 GLU CB C 13 27.058 0.3 . 1 . . . . 96 E CB . 15941 1 941 . 1 1 96 96 GLU CG C 13 34.421 0.3 . 1 . . . . 96 E CG . 15941 1 942 . 1 1 96 96 GLU H H 1 9.056 0.02 . 1 . . . . 96 E H . 15941 1 943 . 1 1 96 96 GLU HA H 1 3.893 0.02 . 1 . . . . 96 E HA . 15941 1 944 . 1 1 96 96 GLU HB2 H 1 1.989 0.02 . 2 . . . . 96 E HB2 . 15941 1 945 . 1 1 96 96 GLU HB3 H 1 1.828 0.02 . 2 . . . . 96 E HB3 . 15941 1 946 . 1 1 96 96 GLU HG2 H 1 1.932 0.02 . 2 . . . . 96 E QG . 15941 1 947 . 1 1 96 96 GLU HG3 H 1 1.932 0.02 . 2 . . . . 96 E QG . 15941 1 948 . 1 1 96 96 GLU N N 15 130.672 0.3 . 1 . . . . 96 E N . 15941 1 949 . 1 1 97 97 HIS C C 13 175.311 0.3 . 1 . . . . 97 H C . 15941 1 950 . 1 1 97 97 HIS CA C 13 56.250 0.3 . 1 . . . . 97 H CA . 15941 1 951 . 1 1 97 97 HIS CB C 13 27.255 0.3 . 1 . . . . 97 H CB . 15941 1 952 . 1 1 97 97 HIS CD2 C 13 120.300 0.3 . 1 . . . . 97 H CD2 . 15941 1 953 . 1 1 97 97 HIS CE1 C 13 136.470 0.3 . 1 . . . . 97 H CE1 . 15941 1 954 . 1 1 97 97 HIS H H 1 7.807 0.02 . 1 . . . . 97 H H . 15941 1 955 . 1 1 97 97 HIS HA H 1 4.529 0.02 . 1 . . . . 97 H HA . 15941 1 956 . 1 1 97 97 HIS HB2 H 1 3.374 0.02 . 2 . . . . 97 H HB2 . 15941 1 957 . 1 1 97 97 HIS HB3 H 1 3.009 0.02 . 2 . . . . 97 H HB3 . 15941 1 958 . 1 1 97 97 HIS HD2 H 1 6.779 0.02 . 1 . . . . 97 H HD2 . 15941 1 959 . 1 1 97 97 HIS HE1 H 1 8.120 0.02 . 1 . . . . 97 H HE1 . 15941 1 960 . 1 1 97 97 HIS N N 15 116.700 0.3 . 1 . . . . 97 H N . 15941 1 961 . 1 1 98 98 ASN C C 13 172.621 0.3 . 1 . . . . 98 N C . 15941 1 962 . 1 1 98 98 ASN CA C 13 53.934 0.3 . 1 . . . . 98 N CA . 15941 1 963 . 1 1 98 98 ASN CB C 13 35.162 0.3 . 1 . . . . 98 N CB . 15941 1 964 . 1 1 98 98 ASN H H 1 7.067 0.02 . 1 . . . . 98 N H . 15941 1 965 . 1 1 98 98 ASN HA H 1 4.411 0.02 . 1 . . . . 98 N HA . 15941 1 966 . 1 1 98 98 ASN HB2 H 1 3.119 0.02 . 2 . . . . 98 N HB2 . 15941 1 967 . 1 1 98 98 ASN HB3 H 1 2.699 0.02 . 2 . . . . 98 N HB3 . 15941 1 968 . 1 1 98 98 ASN HD21 H 1 8.100 0.02 . 2 . . . . 98 N HE2 . 15941 1 969 . 1 1 98 98 ASN HD22 H 1 8.970 0.02 . 2 . . . . 98 N HE3 . 15941 1 970 . 1 1 98 98 ASN N N 15 117.315 0.3 . 1 . . . . 98 N N . 15941 1 971 . 1 1 98 98 ASN ND2 N 15 111.540 0.3 . 1 . . . . 98 N NE . 15941 1 972 . 1 1 99 99 ILE C C 13 173.334 0.3 . 1 . . . . 99 I C . 15941 1 973 . 1 1 99 99 ILE CA C 13 56.043 0.3 . 1 . . . . 99 I CA . 15941 1 974 . 1 1 99 99 ILE CB C 13 41.389 0.3 . 1 . . . . 99 I CB . 15941 1 975 . 1 1 99 99 ILE CD1 C 13 13.561 0.3 . 1 . . . . 99 I CD1 . 15941 1 976 . 1 1 99 99 ILE CG1 C 13 23.108 0.3 . 1 . . . . 99 I CG1 . 15941 1 977 . 1 1 99 99 ILE CG2 C 13 17.521 0.3 . 1 . . . . 99 I CG2 . 15941 1 978 . 1 1 99 99 ILE H H 1 7.057 0.02 . 1 . . . . 99 I H . 15941 1 979 . 1 1 99 99 ILE HA H 1 5.304 0.02 . 1 . . . . 99 I HA . 15941 1 980 . 1 1 99 99 ILE HB H 1 1.809 0.02 . 1 . . . . 99 I HB . 15941 1 981 . 1 1 99 99 ILE HD11 H 1 0.874 0.02 . 1 . . . . 99 I QD1 . 15941 1 982 . 1 1 99 99 ILE HD12 H 1 0.874 0.02 . 1 . . . . 99 I QD1 . 15941 1 983 . 1 1 99 99 ILE HD13 H 1 0.874 0.02 . 1 . . . . 99 I QD1 . 15941 1 984 . 1 1 99 99 ILE HG12 H 1 1.314 0.02 . 1 . . . . 99 I QG1 . 15941 1 985 . 1 1 99 99 ILE HG13 H 1 1.314 0.02 . 1 . . . . 99 I QG1 . 15941 1 986 . 1 1 99 99 ILE HG21 H 1 0.533 0.02 . 1 . . . . 99 I QG2 . 15941 1 987 . 1 1 99 99 ILE HG22 H 1 0.533 0.02 . 1 . . . . 99 I QG2 . 15941 1 988 . 1 1 99 99 ILE HG23 H 1 0.533 0.02 . 1 . . . . 99 I QG2 . 15941 1 989 . 1 1 99 99 ILE N N 15 109.710 0.3 . 1 . . . . 99 I N . 15941 1 990 . 1 1 100 100 LYS C C 13 172.461 0.3 . 1 . . . . 100 K C . 15941 1 991 . 1 1 100 100 LYS CA C 13 52.576 0.3 . 1 . . . . 100 K CA . 15941 1 992 . 1 1 100 100 LYS CB C 13 34.386 0.3 . 1 . . . . 100 K CB . 15941 1 993 . 1 1 100 100 LYS CD C 13 22.785 0.3 . 1 . . . . 100 K CD . 15941 1 994 . 1 1 100 100 LYS CE C 13 40.440 0.3 . 1 . . . . 100 K CE . 15941 1 995 . 1 1 100 100 LYS CG C 13 27.700 0.3 . 1 . . . . 100 K CG . 15941 1 996 . 1 1 100 100 LYS H H 1 8.963 0.02 . 1 . . . . 100 K H . 15941 1 997 . 1 1 100 100 LYS HA H 1 4.638 0.02 . 1 . . . . 100 K HA . 15941 1 998 . 1 1 100 100 LYS HB2 H 1 1.664 0.02 . 2 . . . . 100 K HB2 . 15941 1 999 . 1 1 100 100 LYS HB3 H 1 1.549 0.02 . 2 . . . . 100 K HB3 . 15941 1 1000 . 1 1 100 100 LYS HD2 H 1 1.307 0.02 . 2 . . . . 100 K HD2 . 15941 1 1001 . 1 1 100 100 LYS HD3 H 1 1.223 0.02 . 2 . . . . 100 K HD3 . 15941 1 1002 . 1 1 100 100 LYS HE2 H 1 2.907 0.02 . 2 . . . . 100 K QE . 15941 1 1003 . 1 1 100 100 LYS HE3 H 1 2.907 0.02 . 2 . . . . 100 K QE . 15941 1 1004 . 1 1 100 100 LYS HG2 H 1 1.734 0.02 . 2 . . . . 100 K QG . 15941 1 1005 . 1 1 100 100 LYS HG3 H 1 1.734 0.02 . 2 . . . . 100 K QG . 15941 1 1006 . 1 1 100 100 LYS N N 15 121.631 0.3 . 1 . . . . 100 K N . 15941 1 1007 . 1 1 101 101 LEU C C 13 176.540 0.3 . 1 . . . . 101 L C . 15941 1 1008 . 1 1 101 101 LEU CA C 13 51.155 0.3 . 1 . . . . 101 L CA . 15941 1 1009 . 1 1 101 101 LEU CB C 13 41.975 0.3 . 1 . . . . 101 L CB . 15941 1 1010 . 1 1 101 101 LEU CD1 C 13 23.306 0.3 . 2 . . . . 101 L CD1 . 15941 1 1011 . 1 1 101 101 LEU CD2 C 13 22.988 0.3 . 2 . . . . 101 L CD2 . 15941 1 1012 . 1 1 101 101 LEU CG C 13 25.609 0.3 . 1 . . . . 101 L CG . 15941 1 1013 . 1 1 101 101 LEU H H 1 8.160 0.02 . 1 . . . . 101 L H . 15941 1 1014 . 1 1 101 101 LEU HA H 1 5.584 0.02 . 1 . . . . 101 L HA . 15941 1 1015 . 1 1 101 101 LEU HB2 H 1 1.464 0.02 . 2 . . . . 101 L QB . 15941 1 1016 . 1 1 101 101 LEU HB3 H 1 1.464 0.02 . 2 . . . . 101 L QB . 15941 1 1017 . 1 1 101 101 LEU HD11 H 1 0.912 0.02 . 1 . . . . 101 L QD1 . 15941 1 1018 . 1 1 101 101 LEU HD12 H 1 0.912 0.02 . 1 . . . . 101 L QD1 . 15941 1 1019 . 1 1 101 101 LEU HD13 H 1 0.912 0.02 . 1 . . . . 101 L QD1 . 15941 1 1020 . 1 1 101 101 LEU HD21 H 1 0.958 0.02 . 1 . . . . 101 L QD2 . 15941 1 1021 . 1 1 101 101 LEU HD22 H 1 0.958 0.02 . 1 . . . . 101 L QD2 . 15941 1 1022 . 1 1 101 101 LEU HD23 H 1 0.958 0.02 . 1 . . . . 101 L QD2 . 15941 1 1023 . 1 1 101 101 LEU HG H 1 1.630 0.02 . 1 . . . . 101 L HG . 15941 1 1024 . 1 1 101 101 LEU N N 15 122.904 0.3 . 1 . . . . 101 L N . 15941 1 1025 . 1 1 102 102 ARG C C 13 172.891 0.3 . 1 . . . . 102 R C . 15941 1 1026 . 1 1 102 102 ARG CA C 13 53.189 0.3 . 1 . . . . 102 R CA . 15941 1 1027 . 1 1 102 102 ARG CB C 13 32.892 0.3 . 1 . . . . 102 R CB . 15941 1 1028 . 1 1 102 102 ARG CD C 13 42.253 0.3 . 1 . . . . 102 R CD . 15941 1 1029 . 1 1 102 102 ARG CG C 13 25.416 0.3 . 1 . . . . 102 R CG . 15941 1 1030 . 1 1 102 102 ARG H H 1 8.931 0.02 . 1 . . . . 102 R H . 15941 1 1031 . 1 1 102 102 ARG HA H 1 4.598 0.02 . 1 . . . . 102 R HA . 15941 1 1032 . 1 1 102 102 ARG HB2 H 1 1.804 0.02 . 2 . . . . 102 R HB2 . 15941 1 1033 . 1 1 102 102 ARG HB3 H 1 1.623 0.02 . 2 . . . . 102 R HB3 . 15941 1 1034 . 1 1 102 102 ARG HD2 H 1 3.210 0.02 . 2 . . . . 102 R HD2 . 15941 1 1035 . 1 1 102 102 ARG HD3 H 1 3.107 0.02 . 2 . . . . 102 R HD3 . 15941 1 1036 . 1 1 102 102 ARG HG2 H 1 1.620 0.02 . 2 . . . . 102 R QG . 15941 1 1037 . 1 1 102 102 ARG HG3 H 1 1.620 0.02 . 2 . . . . 102 R QG . 15941 1 1038 . 1 1 102 102 ARG N N 15 123.856 0.3 . 1 . . . . 102 R N . 15941 1 1039 . 1 1 103 103 GLU C C 13 173.923 0.3 . 1 . . . . 103 E C . 15941 1 1040 . 1 1 103 103 GLU CA C 13 56.662 0.3 . 1 . . . . 103 E CA . 15941 1 1041 . 1 1 103 103 GLU CB C 13 28.882 0.3 . 1 . . . . 103 E CB . 15941 1 1042 . 1 1 103 103 GLU CG C 13 36.047 0.3 . 1 . . . . 103 E CG . 15941 1 1043 . 1 1 103 103 GLU H H 1 8.806 0.02 . 1 . . . . 103 E H . 15941 1 1044 . 1 1 103 103 GLU HA H 1 4.479 0.02 . 1 . . . . 103 E HA . 15941 1 1045 . 1 1 103 103 GLU HB2 H 1 2.029 0.02 . 2 . . . . 103 E HB2 . 15941 1 1046 . 1 1 103 103 GLU HB3 H 1 1.946 0.02 . 2 . . . . 103 E HB3 . 15941 1 1047 . 1 1 103 103 GLU HG2 H 1 2.265 0.02 . 2 . . . . 103 E HG2 . 15941 1 1048 . 1 1 103 103 GLU HG3 H 1 2.109 0.02 . 2 . . . . 103 E HG3 . 15941 1 1049 . 1 1 103 103 GLU N N 15 127.617 0.3 . 1 . . . . 103 E N . 15941 1 1050 . 1 1 104 104 ASP CA C 13 51.144 0.3 . 1 . . . . 104 D CA . 15941 1 1051 . 1 1 104 104 ASP CB C 13 41.908 0.3 . 1 . . . . 104 D CB . 15941 1 1052 . 1 1 104 104 ASP H H 1 9.080 0.02 . 1 . . . . 104 D H . 15941 1 1053 . 1 1 104 104 ASP HA H 1 4.994 0.02 . 1 . . . . 104 D HA . 15941 1 1054 . 1 1 104 104 ASP HB2 H 1 2.830 0.02 . 2 . . . . 104 D HB2 . 15941 1 1055 . 1 1 104 104 ASP HB3 H 1 2.787 0.02 . 2 . . . . 104 D HB3 . 15941 1 1056 . 1 1 104 104 ASP N N 15 127.466 0.3 . 1 . . . . 104 D N . 15941 1 1057 . 1 1 105 105 ARG C C 13 175.569 0.3 . 1 . . . . 105 R C . 15941 1 1058 . 1 1 105 105 ARG CA C 13 52.909 0.3 . 1 . . . . 105 R CA . 15941 1 1059 . 1 1 105 105 ARG HA H 1 4.578 0.02 . 1 . . . . 105 R HA . 15941 1 1060 . 1 1 105 105 ARG HB2 H 1 2.725 0.02 . 2 . . . . 105 R HB2 . 15941 1 1061 . 1 1 105 105 ARG HB3 H 1 2.534 0.02 . 2 . . . . 105 R HB3 . 15941 1 1062 . 1 1 106 106 SER C C 13 174.009 0.3 . 1 . . . . 106 S C . 15941 1 1063 . 1 1 106 106 SER CA C 13 58.753 0.3 . 1 . . . . 106 S CA . 15941 1 1064 . 1 1 106 106 SER CB C 13 62.003 0.3 . 1 . . . . 106 S CB . 15941 1 1065 . 1 1 106 106 SER H H 1 8.424 0.02 . 1 . . . . 106 S H . 15941 1 1066 . 1 1 106 106 SER HA H 1 4.244 0.02 . 1 . . . . 106 S HA . 15941 1 1067 . 1 1 106 106 SER HB2 H 1 4.065 0.02 . 2 . . . . 106 S HB2 . 15941 1 1068 . 1 1 106 106 SER HB3 H 1 3.892 0.02 . 2 . . . . 106 S HB3 . 15941 1 1069 . 1 1 106 106 SER N N 15 119.659 0.3 . 1 . . . . 106 S N . 15941 1 1070 . 1 1 107 107 LEU C C 13 175.717 0.3 . 1 . . . . 107 L C . 15941 1 1071 . 1 1 107 107 LEU CA C 13 53.412 0.3 . 1 . . . . 107 L CA . 15941 1 1072 . 1 1 107 107 LEU CB C 13 38.770 0.3 . 1 . . . . 107 L CB . 15941 1 1073 . 1 1 107 107 LEU CD1 C 13 23.518 0.3 . 2 . . . . 107 L CD1 . 15941 1 1074 . 1 1 107 107 LEU CD2 C 13 20.775 0.3 . 2 . . . . 107 L CD2 . 15941 1 1075 . 1 1 107 107 LEU CG C 13 25.172 0.3 . 1 . . . . 107 L CG . 15941 1 1076 . 1 1 107 107 LEU H H 1 8.705 0.02 . 1 . . . . 107 L H . 15941 1 1077 . 1 1 107 107 LEU HA H 1 4.211 0.02 . 1 . . . . 107 L HA . 15941 1 1078 . 1 1 107 107 LEU HB2 H 1 1.778 0.02 . 2 . . . . 107 L HB2 . 15941 1 1079 . 1 1 107 107 LEU HB3 H 1 1.680 0.02 . 2 . . . . 107 L HB3 . 15941 1 1080 . 1 1 107 107 LEU HD11 H 1 0.813 0.02 . 1 . . . . 107 L QD1 . 15941 1 1081 . 1 1 107 107 LEU HD12 H 1 0.813 0.02 . 1 . . . . 107 L QD1 . 15941 1 1082 . 1 1 107 107 LEU HD13 H 1 0.813 0.02 . 1 . . . . 107 L QD1 . 15941 1 1083 . 1 1 107 107 LEU HD21 H 1 0.840 0.02 . 1 . . . . 107 L QD2 . 15941 1 1084 . 1 1 107 107 LEU HD22 H 1 0.840 0.02 . 1 . . . . 107 L QD2 . 15941 1 1085 . 1 1 107 107 LEU HD23 H 1 0.840 0.02 . 1 . . . . 107 L QD2 . 15941 1 1086 . 1 1 107 107 LEU HG H 1 1.562 0.02 . 1 . . . . 107 L HG . 15941 1 1087 . 1 1 107 107 LEU N N 15 119.287 0.3 . 1 . . . . 107 L N . 15941 1 1088 . 1 1 108 108 GLY C C 13 172.572 0.3 . 1 . . . . 108 G C . 15941 1 1089 . 1 1 108 108 GLY CA C 13 44.313 0.3 . 1 . . . . 108 G CA . 15941 1 1090 . 1 1 108 108 GLY H H 1 8.183 0.02 . 1 . . . . 108 G H . 15941 1 1091 . 1 1 108 108 GLY HA2 H 1 4.118 0.02 . 2 . . . . 108 G HA2 . 15941 1 1092 . 1 1 108 108 GLY HA3 H 1 3.677 0.02 . 2 . . . . 108 G HA3 . 15941 1 1093 . 1 1 108 108 GLY N N 15 108.234 0.3 . 1 . . . . 108 G N . 15941 1 1094 . 1 1 109 109 MET C C 13 172.683 0.3 . 1 . . . . 109 M C . 15941 1 1095 . 1 1 109 109 MET CA C 13 52.422 0.3 . 1 . . . . 109 M CA . 15941 1 1096 . 1 1 109 109 MET CB C 13 33.357 0.3 . 1 . . . . 109 M CB . 15941 1 1097 . 1 1 109 109 MET CG C 13 29.686 0.3 . 1 . . . . 109 M CG . 15941 1 1098 . 1 1 109 109 MET H H 1 7.416 0.02 . 1 . . . . 109 M H . 15941 1 1099 . 1 1 109 109 MET HA H 1 4.646 0.02 . 1 . . . . 109 M HA . 15941 1 1100 . 1 1 109 109 MET HB2 H 1 2.007 0.02 . 2 . . . . 109 M QB . 15941 1 1101 . 1 1 109 109 MET HB3 H 1 2.007 0.02 . 2 . . . . 109 M QB . 15941 1 1102 . 1 1 109 109 MET HG2 H 1 2.431 0.02 . 2 . . . . 109 M QG . 15941 1 1103 . 1 1 109 109 MET HG3 H 1 2.431 0.02 . 2 . . . . 109 M QG . 15941 1 1104 . 1 1 109 109 MET N N 15 120.312 0.3 . 1 . . . . 109 M N . 15941 1 1105 . 1 1 110 110 VAL C C 13 174.194 0.3 . 1 . . . . 110 V C . 15941 1 1106 . 1 1 110 110 VAL CA C 13 61.737 0.3 . 1 . . . . 110 V CA . 15941 1 1107 . 1 1 110 110 VAL CB C 13 30.514 0.3 . 1 . . . . 110 V CB . 15941 1 1108 . 1 1 110 110 VAL CG1 C 13 19.704 0.3 . 2 . . . . 110 V CG1 . 15941 1 1109 . 1 1 110 110 VAL CG2 C 13 19.414 0.3 . 2 . . . . 110 V CG2 . 15941 1 1110 . 1 1 110 110 VAL H H 1 8.220 0.02 . 1 . . . . 110 V H . 15941 1 1111 . 1 1 110 110 VAL HA H 1 4.292 0.02 . 1 . . . . 110 V HA . 15941 1 1112 . 1 1 110 110 VAL HB H 1 1.966 0.02 . 1 . . . . 110 V HB . 15941 1 1113 . 1 1 110 110 VAL HG11 H 1 0.913 0.02 . 1 . . . . 110 V QG1 . 15941 1 1114 . 1 1 110 110 VAL HG12 H 1 0.913 0.02 . 1 . . . . 110 V QG1 . 15941 1 1115 . 1 1 110 110 VAL HG13 H 1 0.913 0.02 . 1 . . . . 110 V QG1 . 15941 1 1116 . 1 1 110 110 VAL HG21 H 1 0.857 0.02 . 1 . . . . 110 V QG2 . 15941 1 1117 . 1 1 110 110 VAL HG22 H 1 0.857 0.02 . 1 . . . . 110 V QG2 . 15941 1 1118 . 1 1 110 110 VAL HG23 H 1 0.857 0.02 . 1 . . . . 110 V QG2 . 15941 1 1119 . 1 1 110 110 VAL N N 15 122.453 0.3 . 1 . . . . 110 V N . 15941 1 1120 . 1 1 111 111 ARG C C 13 172.818 0.3 . 1 . . . . 111 R C . 15941 1 1121 . 1 1 111 111 ARG CA C 13 52.324 0.3 . 1 . . . . 111 R CA . 15941 1 1122 . 1 1 111 111 ARG CB C 13 33.981 0.3 . 1 . . . . 111 R CB . 15941 1 1123 . 1 1 111 111 ARG CD C 13 41.813 0.3 . 1 . . . . 111 R CD . 15941 1 1124 . 1 1 111 111 ARG CG C 13 24.699 0.3 . 1 . . . . 111 R CG . 15941 1 1125 . 1 1 111 111 ARG H H 1 8.627 0.02 . 1 . . . . 111 R H . 15941 1 1126 . 1 1 111 111 ARG HA H 1 4.634 0.02 . 1 . . . . 111 R HA . 15941 1 1127 . 1 1 111 111 ARG HB2 H 1 1.666 0.02 . 2 . . . . 111 R HB2 . 15941 1 1128 . 1 1 111 111 ARG HB3 H 1 1.557 0.02 . 2 . . . . 111 R HB3 . 15941 1 1129 . 1 1 111 111 ARG HD2 H 1 2.381 0.02 . 2 . . . . 111 R HD2 . 15941 1 1130 . 1 1 111 111 ARG HD3 H 1 2.317 0.02 . 2 . . . . 111 R HD3 . 15941 1 1131 . 1 1 111 111 ARG HG2 H 1 2.046 0.02 . 2 . . . . 111 R HG2 . 15941 1 1132 . 1 1 111 111 ARG HG3 H 1 1.984 0.02 . 2 . . . . 111 R HG3 . 15941 1 1133 . 1 1 111 111 ARG N N 15 127.157 0.3 . 1 . . . . 111 R N . 15941 1 1134 . 1 1 112 112 CYS C C 13 171.933 0.3 . 1 . . . . 112 C C . 15941 1 1135 . 1 1 112 112 CYS CA C 13 52.671 0.3 . 1 . . . . 112 C CA . 15941 1 1136 . 1 1 112 112 CYS CB C 13 37.550 0.3 . 1 . . . . 112 C CB . 15941 1 1137 . 1 1 112 112 CYS H H 1 9.327 0.02 . 1 . . . . 112 C H . 15941 1 1138 . 1 1 112 112 CYS HA H 1 5.160 0.02 . 1 . . . . 112 C HA . 15941 1 1139 . 1 1 112 112 CYS HB2 H 1 3.123 0.02 . 2 . . . . 112 C HB2 . 15941 1 1140 . 1 1 112 112 CYS HB3 H 1 2.794 0.02 . 2 . . . . 112 C HB3 . 15941 1 1141 . 1 1 112 112 CYS N N 15 124.507 0.3 . 1 . . . . 112 C N . 15941 1 1142 . 1 1 113 113 GLU C C 13 171.933 0.3 . 1 . . . . 113 E C . 15941 1 1143 . 1 1 113 113 GLU CA C 13 54.005 0.3 . 1 . . . . 113 E CA . 15941 1 1144 . 1 1 113 113 GLU CB C 13 29.761 0.3 . 1 . . . . 113 E CB . 15941 1 1145 . 1 1 113 113 GLU CG C 13 34.383 0.3 . 1 . . . . 113 E CG . 15941 1 1146 . 1 1 113 113 GLU H H 1 9.328 0.02 . 1 . . . . 113 E H . 15941 1 1147 . 1 1 113 113 GLU HA H 1 4.209 0.02 . 1 . . . . 113 E HA . 15941 1 1148 . 1 1 113 113 GLU HB2 H 1 2.297 0.02 . 2 . . . . 113 E QB . 15941 1 1149 . 1 1 113 113 GLU HB3 H 1 2.297 0.02 . 2 . . . . 113 E QB . 15941 1 1150 . 1 1 113 113 GLU HG2 H 1 2.183 0.02 . 2 . . . . 113 E HG2 . 15941 1 1151 . 1 1 113 113 GLU HG3 H 1 2.021 0.02 . 2 . . . . 113 E HG3 . 15941 1 1152 . 1 1 113 113 GLU N N 15 132.157 0.3 . 1 . . . . 113 E N . 15941 1 1153 . 1 1 114 114 VAL C C 13 172.560 0.3 . 1 . . . . 114 V C . 15941 1 1154 . 1 1 114 114 VAL CA C 13 59.310 0.3 . 1 . . . . 114 V CA . 15941 1 1155 . 1 1 114 114 VAL CB C 13 31.226 0.3 . 1 . . . . 114 V CB . 15941 1 1156 . 1 1 114 114 VAL CG1 C 13 20.399 0.3 . 2 . . . . 114 V CG1 . 15941 1 1157 . 1 1 114 114 VAL CG2 C 13 19.496 0.3 . 2 . . . . 114 V CG2 . 15941 1 1158 . 1 1 114 114 VAL H H 1 8.155 0.02 . 1 . . . . 114 V H . 15941 1 1159 . 1 1 114 114 VAL HA H 1 4.475 0.02 . 1 . . . . 114 V HA . 15941 1 1160 . 1 1 114 114 VAL HB H 1 1.445 0.02 . 1 . . . . 114 V HB . 15941 1 1161 . 1 1 114 114 VAL HG11 H 1 0.932 0.02 . 1 . . . . 114 V QG1 . 15941 1 1162 . 1 1 114 114 VAL HG12 H 1 0.932 0.02 . 1 . . . . 114 V QG1 . 15941 1 1163 . 1 1 114 114 VAL HG13 H 1 0.932 0.02 . 1 . . . . 114 V QG1 . 15941 1 1164 . 1 1 114 114 VAL HG21 H 1 0.778 0.02 . 1 . . . . 114 V QG2 . 15941 1 1165 . 1 1 114 114 VAL HG22 H 1 0.778 0.02 . 1 . . . . 114 V QG2 . 15941 1 1166 . 1 1 114 114 VAL HG23 H 1 0.778 0.02 . 1 . . . . 114 V QG2 . 15941 1 1167 . 1 1 114 114 VAL N N 15 126.521 0.3 . 1 . . . . 114 V N . 15941 1 1168 . 1 1 115 115 LEU C C 13 175.336 0.3 . 1 . . . . 115 L C . 15941 1 1169 . 1 1 115 115 LEU CA C 13 50.794 0.3 . 1 . . . . 115 L CA . 15941 1 1170 . 1 1 115 115 LEU CB C 13 43.299 0.3 . 1 . . . . 115 L CB . 15941 1 1171 . 1 1 115 115 LEU CD1 C 13 23.835 0.3 . 2 . . . . 115 L CD1 . 15941 1 1172 . 1 1 115 115 LEU CD2 C 13 22.940 0.3 . 2 . . . . 115 L CD2 . 15941 1 1173 . 1 1 115 115 LEU CG C 13 26.370 0.3 . 1 . . . . 115 L CG . 15941 1 1174 . 1 1 115 115 LEU H H 1 9.074 0.02 . 1 . . . . 115 L H . 15941 1 1175 . 1 1 115 115 LEU HA H 1 5.584 0.02 . 1 . . . . 115 L HA . 15941 1 1176 . 1 1 115 115 LEU HB2 H 1 1.286 0.02 . 2 . . . . 115 L QB . 15941 1 1177 . 1 1 115 115 LEU HB3 H 1 1.286 0.02 . 2 . . . . 115 L QB . 15941 1 1178 . 1 1 115 115 LEU HD11 H 1 0.623 0.02 . 1 . . . . 115 L QQD . 15941 1 1179 . 1 1 115 115 LEU HD12 H 1 0.623 0.02 . 1 . . . . 115 L QQD . 15941 1 1180 . 1 1 115 115 LEU HD13 H 1 0.623 0.02 . 1 . . . . 115 L QQD . 15941 1 1181 . 1 1 115 115 LEU HD21 H 1 0.623 0.02 . 1 . . . . 115 L QQD . 15941 1 1182 . 1 1 115 115 LEU HD22 H 1 0.623 0.02 . 1 . . . . 115 L QQD . 15941 1 1183 . 1 1 115 115 LEU HD23 H 1 0.623 0.02 . 1 . . . . 115 L QQD . 15941 1 1184 . 1 1 115 115 LEU HG H 1 1.362 0.02 . 1 . . . . 115 L HG . 15941 1 1185 . 1 1 115 115 LEU N N 15 128.611 0.3 . 1 . . . . 115 L N . 15941 1 1186 . 1 1 116 116 CYS C C 13 176.712 0.3 . 1 . . . . 116 C C . 15941 1 1187 . 1 1 116 116 CYS CA C 13 58.303 0.3 . 1 . . . . 116 C CA . 15941 1 1188 . 1 1 116 116 CYS CB C 13 30.482 0.3 . 1 . . . . 116 C CB . 15941 1 1189 . 1 1 116 116 CYS H H 1 8.603 0.02 . 1 . . . . 116 C H . 15941 1 1190 . 1 1 116 116 CYS HA H 1 4.311 0.02 . 1 . . . . 116 C HA . 15941 1 1191 . 1 1 116 116 CYS HB2 H 1 3.160 0.02 . 2 . . . . 116 C HB2 . 15941 1 1192 . 1 1 116 116 CYS HB3 H 1 2.990 0.02 . 2 . . . . 116 C HB3 . 15941 1 1193 . 1 1 116 116 CYS N N 15 124.954 0.3 . 1 . . . . 116 C N . 15941 1 1194 . 1 1 117 117 ALA C C 13 176.675 0.3 . 1 . . . . 117 A C . 15941 1 1195 . 1 1 117 117 ALA CA C 13 52.963 0.3 . 1 . . . . 117 A CA . 15941 1 1196 . 1 1 117 117 ALA CB C 13 17.758 0.3 . 1 . . . . 117 A CB . 15941 1 1197 . 1 1 117 117 ALA H H 1 8.401 0.02 . 1 . . . . 117 A H . 15941 1 1198 . 1 1 117 117 ALA HA H 1 3.872 0.02 . 1 . . . . 117 A HA . 15941 1 1199 . 1 1 117 117 ALA HB1 H 1 1.218 0.02 . 1 . . . . 117 A QB . 15941 1 1200 . 1 1 117 117 ALA HB2 H 1 1.218 0.02 . 1 . . . . 117 A QB . 15941 1 1201 . 1 1 117 117 ALA HB3 H 1 1.218 0.02 . 1 . . . . 117 A QB . 15941 1 1202 . 1 1 117 117 ALA N N 15 131.616 0.3 . 1 . . . . 117 A N . 15941 1 1203 . 1 1 118 118 ARG C C 13 176.994 0.3 . 1 . . . . 118 R C . 15941 1 1204 . 1 1 118 118 ARG CA C 13 57.239 0.3 . 1 . . . . 118 R CA . 15941 1 1205 . 1 1 118 118 ARG CB C 13 29.402 0.3 . 1 . . . . 118 R CB . 15941 1 1206 . 1 1 118 118 ARG H H 1 9.272 0.02 . 1 . . . . 118 R H . 15941 1 1207 . 1 1 118 118 ARG HA H 1 4.225 0.02 . 1 . . . . 118 R HA . 15941 1 1208 . 1 1 118 118 ARG HB2 H 1 2.050 0.02 . 2 . . . . 118 R QB . 15941 1 1209 . 1 1 118 118 ARG HB3 H 1 2.050 0.02 . 2 . . . . 118 R QB . 15941 1 1210 . 1 1 118 118 ARG HD2 H 1 2.802 0.02 . 2 . . . . 118 R HD2 . 15941 1 1211 . 1 1 118 118 ARG HD3 H 1 2.703 0.02 . 2 . . . . 118 R HD3 . 15941 1 1212 . 1 1 118 118 ARG HG2 H 1 1.443 0.02 . 2 . . . . 118 R QG . 15941 1 1213 . 1 1 118 118 ARG HG3 H 1 1.443 0.02 . 2 . . . . 118 R QG . 15941 1 1214 . 1 1 118 118 ARG N N 15 122.520 0.3 . 1 . . . . 118 R N . 15941 1 1215 . 1 1 119 119 CYS C C 13 175.459 0.3 . 1 . . . . 119 C C . 15941 1 1216 . 1 1 119 119 CYS CA C 13 56.687 0.3 . 1 . . . . 119 C CA . 15941 1 1217 . 1 1 119 119 CYS CB C 13 32.447 0.3 . 1 . . . . 119 C CB . 15941 1 1218 . 1 1 119 119 CYS H H 1 8.176 0.02 . 1 . . . . 119 C H . 15941 1 1219 . 1 1 119 119 CYS HA H 1 5.731 0.02 . 1 . . . . 119 C HA . 15941 1 1220 . 1 1 119 119 CYS HB2 H 1 3.655 0.02 . 2 . . . . 119 C HB2 . 15941 1 1221 . 1 1 119 119 CYS HB3 H 1 2.541 0.02 . 2 . . . . 119 C HB3 . 15941 1 1222 . 1 1 119 119 CYS N N 15 118.590 0.3 . 1 . . . . 119 C N . 15941 1 1223 . 1 1 120 120 ASP C C 13 172.388 0.3 . 1 . . . . 120 D C . 15941 1 1224 . 1 1 120 120 ASP CA C 13 55.142 0.3 . 1 . . . . 120 D CA . 15941 1 1225 . 1 1 120 120 ASP CB C 13 37.462 0.3 . 1 . . . . 120 D CB . 15941 1 1226 . 1 1 120 120 ASP H H 1 8.208 0.02 . 1 . . . . 120 D H . 15941 1 1227 . 1 1 120 120 ASP HA H 1 4.451 0.02 . 1 . . . . 120 D HA . 15941 1 1228 . 1 1 120 120 ASP HB2 H 1 3.124 0.02 . 2 . . . . 120 D HB2 . 15941 1 1229 . 1 1 120 120 ASP HB3 H 1 3.050 0.02 . 2 . . . . 120 D HB3 . 15941 1 1230 . 1 1 120 120 ASP N N 15 118.707 0.3 . 1 . . . . 120 D N . 15941 1 1231 . 1 1 121 121 ALA C C 13 175.950 0.3 . 1 . . . . 121 A C . 15941 1 1232 . 1 1 121 121 ALA CA C 13 51.690 0.3 . 1 . . . . 121 A CA . 15941 1 1233 . 1 1 121 121 ALA CB C 13 19.304 0.3 . 1 . . . . 121 A CB . 15941 1 1234 . 1 1 121 121 ALA H H 1 8.532 0.02 . 1 . . . . 121 A H . 15941 1 1235 . 1 1 121 121 ALA HA H 1 3.877 0.02 . 1 . . . . 121 A HA . 15941 1 1236 . 1 1 121 121 ALA HB1 H 1 1.342 0.02 . 1 . . . . 121 A QB . 15941 1 1237 . 1 1 121 121 ALA HB2 H 1 1.342 0.02 . 1 . . . . 121 A QB . 15941 1 1238 . 1 1 121 121 ALA HB3 H 1 1.342 0.02 . 1 . . . . 121 A QB . 15941 1 1239 . 1 1 121 121 ALA N N 15 123.629 0.3 . 1 . . . . 121 A N . 15941 1 1240 . 1 1 122 122 HIS C C 13 171.405 0.3 . 1 . . . . 122 H C . 15941 1 1241 . 1 1 122 122 HIS CA C 13 55.257 0.3 . 1 . . . . 122 H CA . 15941 1 1242 . 1 1 122 122 HIS CB C 13 25.839 0.3 . 1 . . . . 122 H CB . 15941 1 1243 . 1 1 122 122 HIS H H 1 9.502 0.02 . 1 . . . . 122 H H . 15941 1 1244 . 1 1 122 122 HIS HA H 1 4.234 0.02 . 1 . . . . 122 H HA . 15941 1 1245 . 1 1 122 122 HIS HB2 H 1 3.529 0.02 . 2 . . . . 122 H HB2 . 15941 1 1246 . 1 1 122 122 HIS HB3 H 1 2.983 0.02 . 2 . . . . 122 H HB3 . 15941 1 1247 . 1 1 122 122 HIS N N 15 121.625 0.3 . 1 . . . . 122 H N . 15941 1 1248 . 1 1 123 123 LEU C C 13 176.663 0.3 . 1 . . . . 123 L C . 15941 1 1249 . 1 1 123 123 LEU CA C 13 53.371 0.3 . 1 . . . . 123 L CA . 15941 1 1250 . 1 1 123 123 LEU CB C 13 42.117 0.3 . 1 . . . . 123 L CB . 15941 1 1251 . 1 1 123 123 LEU CD1 C 13 21.728 0.3 . 2 . . . . 123 L CD1 . 15941 1 1252 . 1 1 123 123 LEU CD2 C 13 26.269 0.3 . 2 . . . . 123 L CD2 . 15941 1 1253 . 1 1 123 123 LEU CG C 13 25.152 0.3 . 1 . . . . 123 L CG . 15941 1 1254 . 1 1 123 123 LEU H H 1 7.901 0.02 . 1 . . . . 123 L H . 15941 1 1255 . 1 1 123 123 LEU HA H 1 4.425 0.02 . 1 . . . . 123 L HA . 15941 1 1256 . 1 1 123 123 LEU HB2 H 1 1.656 0.02 . 2 . . . . 123 L HB2 . 15941 1 1257 . 1 1 123 123 LEU HB3 H 1 1.313 0.02 . 2 . . . . 123 L HB3 . 15941 1 1258 . 1 1 123 123 LEU HD11 H 1 0.838 0.02 . 1 . . . . 123 L QD1 . 15941 1 1259 . 1 1 123 123 LEU HD12 H 1 0.838 0.02 . 1 . . . . 123 L QD1 . 15941 1 1260 . 1 1 123 123 LEU HD13 H 1 0.838 0.02 . 1 . . . . 123 L QD1 . 15941 1 1261 . 1 1 123 123 LEU HD21 H 1 0.704 0.02 . 1 . . . . 123 L QD2 . 15941 1 1262 . 1 1 123 123 LEU HD22 H 1 0.704 0.02 . 1 . . . . 123 L QD2 . 15941 1 1263 . 1 1 123 123 LEU HD23 H 1 0.704 0.02 . 1 . . . . 123 L QD2 . 15941 1 1264 . 1 1 123 123 LEU HG H 1 1.713 0.02 . 1 . . . . 123 L HG . 15941 1 1265 . 1 1 123 123 LEU N N 15 124.553 0.3 . 1 . . . . 123 L N . 15941 1 1266 . 1 1 124 124 GLY C C 13 169.698 0.3 . 1 . . . . 124 G C . 15941 1 1267 . 1 1 124 124 GLY CA C 13 44.241 0.3 . 1 . . . . 124 G CA . 15941 1 1268 . 1 1 124 124 GLY H H 1 6.690 0.02 . 1 . . . . 124 G H . 15941 1 1269 . 1 1 124 124 GLY HA2 H 1 4.788 0.02 . 2 . . . . 124 G HA2 . 15941 1 1270 . 1 1 124 124 GLY HA3 H 1 3.249 0.02 . 2 . . . . 124 G HA3 . 15941 1 1271 . 1 1 124 124 GLY N N 15 104.162 0.3 . 1 . . . . 124 G N . 15941 1 1272 . 1 1 125 125 HIS CA C 13 55.448 0.3 . 1 . . . . 125 H CA . 15941 1 1273 . 1 1 125 125 HIS CB C 13 35.049 0.3 . 1 . . . . 125 H CB . 15941 1 1274 . 1 1 125 125 HIS CD2 C 13 115.261 0.3 . 1 . . . . 125 H CD2 . 15941 1 1275 . 1 1 125 125 HIS CE1 C 13 135.140 0.3 . 1 . . . . 125 H CE1 . 15941 1 1276 . 1 1 125 125 HIS H H 1 8.865 0.02 . 1 . . . . 125 H H . 15941 1 1277 . 1 1 125 125 HIS HA H 1 5.398 0.02 . 1 . . . . 125 H HA . 15941 1 1278 . 1 1 125 125 HIS HB2 H 1 2.627 0.02 . 2 . . . . 125 H HB2 . 15941 1 1279 . 1 1 125 125 HIS HB3 H 1 2.541 0.02 . 2 . . . . 125 H HB3 . 15941 1 1280 . 1 1 125 125 HIS HD2 H 1 6.370 0.02 . 1 . . . . 125 H HD2 . 15941 1 1281 . 1 1 125 125 HIS HE1 H 1 8.330 0.02 . 1 . . . . 125 H HE1 . 15941 1 1282 . 1 1 125 125 HIS N N 15 123.740 0.3 . 1 . . . . 125 H N . 15941 1 1283 . 1 1 126 126 VAL C C 13 171.466 0.3 . 1 . . . . 126 V C . 15941 1 1284 . 1 1 126 126 VAL CA C 13 56.144 0.3 . 1 . . . . 126 V CA . 15941 1 1285 . 1 1 126 126 VAL CB C 13 32.759 0.3 . 1 . . . . 126 V CB . 15941 1 1286 . 1 1 126 126 VAL CG1 C 13 17.625 0.3 . 2 . . . . 126 V CG1 . 15941 1 1287 . 1 1 126 126 VAL CG2 C 13 18.702 0.3 . 2 . . . . 126 V CG2 . 15941 1 1288 . 1 1 126 126 VAL H H 1 8.431 0.02 . 1 . . . . 126 V H . 15941 1 1289 . 1 1 126 126 VAL HA H 1 5.291 0.02 . 1 . . . . 126 V HA . 15941 1 1290 . 1 1 126 126 VAL HB H 1 1.313 0.02 . 1 . . . . 126 V HB . 15941 1 1291 . 1 1 126 126 VAL HG11 H 1 0.594 0.02 . 1 . . . . 126 V QG1 . 15941 1 1292 . 1 1 126 126 VAL HG12 H 1 0.594 0.02 . 1 . . . . 126 V QG1 . 15941 1 1293 . 1 1 126 126 VAL HG13 H 1 0.594 0.02 . 1 . . . . 126 V QG1 . 15941 1 1294 . 1 1 126 126 VAL HG21 H 1 0.008 0.02 . 1 . . . . 126 V QG2 . 15941 1 1295 . 1 1 126 126 VAL HG22 H 1 0.008 0.02 . 1 . . . . 126 V QG2 . 15941 1 1296 . 1 1 126 126 VAL HG23 H 1 0.008 0.02 . 1 . . . . 126 V QG2 . 15941 1 1297 . 1 1 126 126 VAL N N 15 120.020 0.3 . 1 . . . . 126 V N . 15941 1 1298 . 1 1 127 127 PHE CA C 13 54.485 0.3 . 1 . . . . 127 F CA . 15941 1 1299 . 1 1 127 127 PHE CB C 13 41.743 0.3 . 1 . . . . 127 F CB . 15941 1 1300 . 1 1 127 127 PHE CD1 C 13 131.130 0.3 . 3 . . . . 127 F CD1 . 15941 1 1301 . 1 1 127 127 PHE CD2 C 13 131.130 0.3 . 3 . . . . 127 F CD2 . 15941 1 1302 . 1 1 127 127 PHE H H 1 8.746 0.02 . 1 . . . . 127 F H . 15941 1 1303 . 1 1 127 127 PHE HA H 1 4.846 0.02 . 1 . . . . 127 F HA . 15941 1 1304 . 1 1 127 127 PHE HB2 H 1 3.229 0.02 . 2 . . . . 127 F HB2 . 15941 1 1305 . 1 1 127 127 PHE HB3 H 1 2.962 0.02 . 2 . . . . 127 F HB3 . 15941 1 1306 . 1 1 127 127 PHE HD1 H 1 7.220 0.02 . 3 . . . . 127 F QD . 15941 1 1307 . 1 1 127 127 PHE HD2 H 1 7.220 0.02 . 3 . . . . 127 F QD . 15941 1 1308 . 1 1 127 127 PHE N N 15 129.179 0.3 . 1 . . . . 127 F N . 15941 1 1309 . 1 1 128 128 ASP C C 13 174.071 0.3 . 1 . . . . 128 D C . 15941 1 1310 . 1 1 128 128 ASP CA C 13 52.280 0.3 . 1 . . . . 128 D CA . 15941 1 1311 . 1 1 128 128 ASP CB C 13 38.437 0.3 . 1 . . . . 128 D CB . 15941 1 1312 . 1 1 128 128 ASP H H 1 10.138 0.02 . 1 . . . . 128 D H . 15941 1 1313 . 1 1 128 128 ASP HA H 1 5.091 0.02 . 1 . . . . 128 D HA . 15941 1 1314 . 1 1 128 128 ASP HB2 H 1 2.912 0.02 . 2 . . . . 128 D HB2 . 15941 1 1315 . 1 1 128 128 ASP HB3 H 1 2.639 0.02 . 2 . . . . 128 D HB3 . 15941 1 1316 . 1 1 128 128 ASP N N 15 131.668 0.3 . 1 . . . . 128 D N . 15941 1 1317 . 1 1 129 129 ASP C C 13 176.306 0.3 . 1 . . . . 129 D C . 15941 1 1318 . 1 1 129 129 ASP CA C 13 50.622 0.3 . 1 . . . . 129 D CA . 15941 1 1319 . 1 1 129 129 ASP CB C 13 38.682 0.3 . 1 . . . . 129 D CB . 15941 1 1320 . 1 1 129 129 ASP H H 1 7.572 0.02 . 1 . . . . 129 D H . 15941 1 1321 . 1 1 129 129 ASP HA H 1 4.821 0.02 . 1 . . . . 129 D HA . 15941 1 1322 . 1 1 129 129 ASP HB2 H 1 3.104 0.02 . 2 . . . . 129 D HB2 . 15941 1 1323 . 1 1 129 129 ASP HB3 H 1 2.411 0.02 . 2 . . . . 129 D HB3 . 15941 1 1324 . 1 1 129 129 ASP N N 15 120.809 0.3 . 1 . . . . 129 D N . 15941 1 1325 . 1 1 130 130 GLY CA C 13 42.471 0.3 . 1 . . . . 130 G CA . 15941 1 1326 . 1 1 130 130 GLY H H 1 7.354 0.02 . 1 . . . . 130 G H . 15941 1 1327 . 1 1 130 130 GLY HA2 H 1 4.160 0.02 . 2 . . . . 130 G HA2 . 15941 1 1328 . 1 1 130 130 GLY HA3 H 1 3.392 0.02 . 2 . . . . 130 G HA3 . 15941 1 1329 . 1 1 130 130 GLY N N 15 106.913 0.3 . 1 . . . . 130 G N . 15941 1 1330 . 1 1 133 133 PRO CA C 13 61.489 0.3 . 1 . . . . 133 P CA . 15941 1 1331 . 1 1 133 133 PRO CB C 13 33.236 0.3 . 1 . . . . 133 P CB . 15941 1 1332 . 1 1 133 133 PRO CD C 13 47.898 0.3 . 1 . . . . 133 P CD . 15941 1 1333 . 1 1 133 133 PRO CG C 13 22.746 0.3 . 1 . . . . 133 P CG . 15941 1 1334 . 1 1 133 133 PRO HA H 1 4.383 0.02 . 1 . . . . 133 P HA . 15941 1 1335 . 1 1 133 133 PRO HB2 H 1 2.308 0.02 . 2 . . . . 133 P HB2 . 15941 1 1336 . 1 1 133 133 PRO HB3 H 1 2.212 0.02 . 2 . . . . 133 P HB3 . 15941 1 1337 . 1 1 133 133 PRO HD2 H 1 3.133 0.02 . 2 . . . . 133 P HD2 . 15941 1 1338 . 1 1 133 133 PRO HD3 H 1 2.697 0.02 . 2 . . . . 133 P HD3 . 15941 1 1339 . 1 1 133 133 PRO HG2 H 1 2.020 0.02 . 2 . . . . 133 P HG2 . 15941 1 1340 . 1 1 133 133 PRO HG3 H 1 1.790 0.02 . 2 . . . . 133 P HG3 . 15941 1 1341 . 1 1 134 134 THR C C 13 175.287 0.3 . 1 . . . . 134 T C . 15941 1 1342 . 1 1 134 134 THR CA C 13 60.955 0.3 . 1 . . . . 134 T CA . 15941 1 1343 . 1 1 134 134 THR CB C 13 68.221 0.3 . 1 . . . . 134 T CB . 15941 1 1344 . 1 1 134 134 THR CG2 C 13 20.657 0.3 . 1 . . . . 134 T CG2 . 15941 1 1345 . 1 1 134 134 THR H H 1 7.183 0.02 . 1 . . . . 134 T H . 15941 1 1346 . 1 1 134 134 THR HA H 1 4.413 0.02 . 1 . . . . 134 T HA . 15941 1 1347 . 1 1 134 134 THR HB H 1 4.474 0.02 . 1 . . . . 134 T HB . 15941 1 1348 . 1 1 134 134 THR HG21 H 1 1.530 0.02 . 1 . . . . 134 T QG2 . 15941 1 1349 . 1 1 134 134 THR HG22 H 1 1.530 0.02 . 1 . . . . 134 T QG2 . 15941 1 1350 . 1 1 134 134 THR HG23 H 1 1.530 0.02 . 1 . . . . 134 T QG2 . 15941 1 1351 . 1 1 134 134 THR N N 15 110.616 0.3 . 1 . . . . 134 T N . 15941 1 1352 . 1 1 135 135 GLY C C 13 173.186 0.3 . 1 . . . . 135 G C . 15941 1 1353 . 1 1 135 135 GLY CA C 13 43.679 0.3 . 1 . . . . 135 G CA . 15941 1 1354 . 1 1 135 135 GLY H H 1 8.657 0.02 . 1 . . . . 135 G H . 15941 1 1355 . 1 1 135 135 GLY HA2 H 1 3.936 0.02 . 2 . . . . 135 G HA2 . 15941 1 1356 . 1 1 135 135 GLY HA3 H 1 3.339 0.02 . 2 . . . . 135 G HA3 . 15941 1 1357 . 1 1 135 135 GLY N N 15 112.958 0.3 . 1 . . . . 135 G N . 15941 1 1358 . 1 1 136 136 LYS C C 13 172.867 0.3 . 1 . . . . 136 K C . 15941 1 1359 . 1 1 136 136 LYS CA C 13 52.863 0.3 . 1 . . . . 136 K CA . 15941 1 1360 . 1 1 136 136 LYS CB C 13 33.486 0.3 . 1 . . . . 136 K CB . 15941 1 1361 . 1 1 136 136 LYS CD C 13 22.501 0.3 . 1 . . . . 136 K CD . 15941 1 1362 . 1 1 136 136 LYS CE C 13 40.725 0.3 . 1 . . . . 136 K CE . 15941 1 1363 . 1 1 136 136 LYS CG C 13 27.247 0.3 . 1 . . . . 136 K CG . 15941 1 1364 . 1 1 136 136 LYS H H 1 8.209 0.02 . 1 . . . . 136 K H . 15941 1 1365 . 1 1 136 136 LYS HA H 1 4.945 0.02 . 1 . . . . 136 K HA . 15941 1 1366 . 1 1 136 136 LYS HB2 H 1 2.057 0.02 . 2 . . . . 136 K HB2 . 15941 1 1367 . 1 1 136 136 LYS HB3 H 1 1.381 0.02 . 2 . . . . 136 K HB3 . 15941 1 1368 . 1 1 136 136 LYS HD2 H 1 1.167 0.02 . 2 . . . . 136 K HD2 . 15941 1 1369 . 1 1 136 136 LYS HD3 H 1 0.974 0.02 . 2 . . . . 136 K HD3 . 15941 1 1370 . 1 1 136 136 LYS HE2 H 1 2.959 0.02 . 2 . . . . 136 K QE . 15941 1 1371 . 1 1 136 136 LYS HE3 H 1 2.959 0.02 . 2 . . . . 136 K QE . 15941 1 1372 . 1 1 136 136 LYS HG2 H 1 1.550 0.02 . 2 . . . . 136 K HG2 . 15941 1 1373 . 1 1 136 136 LYS HG3 H 1 1.480 0.02 . 2 . . . . 136 K HG3 . 15941 1 1374 . 1 1 136 136 LYS N N 15 121.238 0.3 . 1 . . . . 136 K N . 15941 1 1375 . 1 1 137 137 ARG C C 13 173.223 0.3 . 1 . . . . 137 R C . 15941 1 1376 . 1 1 137 137 ARG CA C 13 52.665 0.3 . 1 . . . . 137 R CA . 15941 1 1377 . 1 1 137 137 ARG CB C 13 32.769 0.3 . 1 . . . . 137 R CB . 15941 1 1378 . 1 1 137 137 ARG CD C 13 41.128 0.3 . 1 . . . . 137 R CD . 15941 1 1379 . 1 1 137 137 ARG CG C 13 22.367 0.3 . 1 . . . . 137 R CG . 15941 1 1380 . 1 1 137 137 ARG H H 1 8.720 0.02 . 1 . . . . 137 R H . 15941 1 1381 . 1 1 137 137 ARG HA H 1 4.968 0.02 . 1 . . . . 137 R HA . 15941 1 1382 . 1 1 137 137 ARG HB2 H 1 2.412 0.02 . 2 . . . . 137 R QB . 15941 1 1383 . 1 1 137 137 ARG HB3 H 1 2.412 0.02 . 2 . . . . 137 R QB . 15941 1 1384 . 1 1 137 137 ARG HD2 H 1 3.239 0.02 . 2 . . . . 137 R QD . 15941 1 1385 . 1 1 137 137 ARG HD3 H 1 3.239 0.02 . 2 . . . . 137 R QD . 15941 1 1386 . 1 1 137 137 ARG HG2 H 1 1.504 0.02 . 2 . . . . 137 R HG2 . 15941 1 1387 . 1 1 137 137 ARG HG3 H 1 1.453 0.02 . 2 . . . . 137 R HG3 . 15941 1 1388 . 1 1 137 137 ARG N N 15 122.072 0.3 . 1 . . . . 137 R N . 15941 1 1389 . 1 1 138 138 TYR C C 13 172.179 0.3 . 1 . . . . 138 Y C . 15941 1 1390 . 1 1 138 138 TYR CA C 13 57.008 0.3 . 1 . . . . 138 Y CA . 15941 1 1391 . 1 1 138 138 TYR CB C 13 35.369 0.3 . 1 . . . . 138 Y CB . 15941 1 1392 . 1 1 138 138 TYR CD1 C 13 131.390 0.3 . 3 . . . . 138 Y CD1 . 15941 1 1393 . 1 1 138 138 TYR CD2 C 13 131.390 0.3 . 3 . . . . 138 Y CD2 . 15941 1 1394 . 1 1 138 138 TYR CE1 C 13 116.580 0.3 . 3 . . . . 138 Y CE1 . 15941 1 1395 . 1 1 138 138 TYR CE2 C 13 116.580 0.3 . 3 . . . . 138 Y CE2 . 15941 1 1396 . 1 1 138 138 TYR H H 1 9.870 0.02 . 1 . . . . 138 Y H . 15941 1 1397 . 1 1 138 138 TYR HA H 1 4.425 0.02 . 1 . . . . 138 Y HA . 15941 1 1398 . 1 1 138 138 TYR HB2 H 1 3.210 0.02 . 2 . . . . 138 Y HB2 . 15941 1 1399 . 1 1 138 138 TYR HB3 H 1 2.710 0.02 . 2 . . . . 138 Y HB3 . 15941 1 1400 . 1 1 138 138 TYR HD1 H 1 7.000 0.02 . 3 . . . . 138 Y QD . 15941 1 1401 . 1 1 138 138 TYR HD2 H 1 7.000 0.02 . 3 . . . . 138 Y QD . 15941 1 1402 . 1 1 138 138 TYR HE1 H 1 6.630 0.02 . 3 . . . . 138 Y QE . 15941 1 1403 . 1 1 138 138 TYR HE2 H 1 6.630 0.02 . 3 . . . . 138 Y QE . 15941 1 1404 . 1 1 138 138 TYR N N 15 129.569 0.3 . 1 . . . . 138 Y N . 15941 1 1405 . 1 1 139 139 CYS C C 13 170.877 0.3 . 1 . . . . 139 C C . 15941 1 1406 . 1 1 139 139 CYS CA C 13 54.655 0.3 . 1 . . . . 139 C CA . 15941 1 1407 . 1 1 139 139 CYS CB C 13 45.691 0.3 . 1 . . . . 139 C CB . 15941 1 1408 . 1 1 139 139 CYS H H 1 9.346 0.02 . 1 . . . . 139 C H . 15941 1 1409 . 1 1 139 139 CYS HA H 1 4.511 0.02 . 1 . . . . 139 C HA . 15941 1 1410 . 1 1 139 139 CYS HB2 H 1 3.506 0.02 . 2 . . . . 139 C HB2 . 15941 1 1411 . 1 1 139 139 CYS HB3 H 1 3.208 0.02 . 2 . . . . 139 C HB3 . 15941 1 1412 . 1 1 139 139 CYS N N 15 130.530 0.3 . 1 . . . . 139 C N . 15941 1 1413 . 1 1 140 140 MET C C 13 172.621 0.3 . 1 . . . . 140 M C . 15941 1 1414 . 1 1 140 140 MET CA C 13 50.597 0.3 . 1 . . . . 140 M CA . 15941 1 1415 . 1 1 140 140 MET CB C 13 35.241 0.3 . 1 . . . . 140 M CB . 15941 1 1416 . 1 1 140 140 MET CG C 13 31.203 0.3 . 1 . . . . 140 M CG . 15941 1 1417 . 1 1 140 140 MET H H 1 8.354 0.02 . 1 . . . . 140 M H . 15941 1 1418 . 1 1 140 140 MET HA H 1 5.223 0.02 . 1 . . . . 140 M HA . 15941 1 1419 . 1 1 140 140 MET HB2 H 1 1.837 0.02 . 2 . . . . 140 M HB2 . 15941 1 1420 . 1 1 140 140 MET HB3 H 1 1.564 0.02 . 2 . . . . 140 M HB3 . 15941 1 1421 . 1 1 140 140 MET HG2 H 1 2.405 0.02 . 2 . . . . 140 M QG . 15941 1 1422 . 1 1 140 140 MET HG3 H 1 2.405 0.02 . 2 . . . . 140 M QG . 15941 1 1423 . 1 1 140 140 MET N N 15 126.111 0.3 . 1 . . . . 140 M N . 15941 1 1424 . 1 1 141 141 ASN C C 13 175.029 0.3 . 1 . . . . 141 N C . 15941 1 1425 . 1 1 141 141 ASN CA C 13 51.309 0.3 . 1 . . . . 141 N CA . 15941 1 1426 . 1 1 141 141 ASN CB C 13 40.457 0.3 . 1 . . . . 141 N CB . 15941 1 1427 . 1 1 141 141 ASN H H 1 7.713 0.02 . 1 . . . . 141 N H . 15941 1 1428 . 1 1 141 141 ASN HA H 1 4.996 0.02 . 1 . . . . 141 N HA . 15941 1 1429 . 1 1 141 141 ASN HB2 H 1 2.629 0.02 . 2 . . . . 141 N HB2 . 15941 1 1430 . 1 1 141 141 ASN HB3 H 1 2.426 0.02 . 2 . . . . 141 N HB3 . 15941 1 1431 . 1 1 141 141 ASN HD21 H 1 6.720 0.02 . 2 . . . . 141 N HE2 . 15941 1 1432 . 1 1 141 141 ASN HD22 H 1 7.510 0.02 . 2 . . . . 141 N HE3 . 15941 1 1433 . 1 1 141 141 ASN N N 15 116.170 0.3 . 1 . . . . 141 N N . 15941 1 1434 . 1 1 141 141 ASN ND2 N 15 115.470 0.3 . 1 . . . . 141 N NE . 15941 1 1435 . 1 1 142 142 SER C C 13 175.864 0.3 . 1 . . . . 142 S C . 15941 1 1436 . 1 1 142 142 SER CA C 13 61.830 0.3 . 1 . . . . 142 S CA . 15941 1 1437 . 1 1 142 142 SER CB C 13 61.974 0.3 . 1 . . . . 142 S CB . 15941 1 1438 . 1 1 142 142 SER H H 1 11.034 0.02 . 1 . . . . 142 S H . 15941 1 1439 . 1 1 142 142 SER HA H 1 4.277 0.02 . 1 . . . . 142 S HA . 15941 1 1440 . 1 1 142 142 SER HB2 H 1 4.020 0.02 . 2 . . . . 142 S QB . 15941 1 1441 . 1 1 142 142 SER HB3 H 1 4.020 0.02 . 2 . . . . 142 S QB . 15941 1 1442 . 1 1 142 142 SER N N 15 125.792 0.3 . 1 . . . . 142 S N . 15941 1 1443 . 1 1 143 143 ALA C C 13 175.655 0.3 . 1 . . . . 143 A C . 15941 1 1444 . 1 1 143 143 ALA CA C 13 51.527 0.3 . 1 . . . . 143 A CA . 15941 1 1445 . 1 1 143 143 ALA CB C 13 17.438 0.3 . 1 . . . . 143 A CB . 15941 1 1446 . 1 1 143 143 ALA H H 1 9.432 0.02 . 1 . . . . 143 A H . 15941 1 1447 . 1 1 143 143 ALA HA H 1 4.238 0.02 . 1 . . . . 143 A HA . 15941 1 1448 . 1 1 143 143 ALA HB1 H 1 1.440 0.02 . 1 . . . . 143 A QB . 15941 1 1449 . 1 1 143 143 ALA HB2 H 1 1.440 0.02 . 1 . . . . 143 A QB . 15941 1 1450 . 1 1 143 143 ALA HB3 H 1 1.440 0.02 . 1 . . . . 143 A QB . 15941 1 1451 . 1 1 143 143 ALA N N 15 120.464 0.3 . 1 . . . . 143 A N . 15941 1 1452 . 1 1 144 144 ALA C C 13 174.967 0.3 . 1 . . . . 144 A C . 15941 1 1453 . 1 1 144 144 ALA CA C 13 49.861 0.3 . 1 . . . . 144 A CA . 15941 1 1454 . 1 1 144 144 ALA CB C 13 18.928 0.3 . 1 . . . . 144 A CB . 15941 1 1455 . 1 1 144 144 ALA H H 1 7.207 0.02 . 1 . . . . 144 A H . 15941 1 1456 . 1 1 144 144 ALA HA H 1 4.529 0.02 . 1 . . . . 144 A HA . 15941 1 1457 . 1 1 144 144 ALA HB1 H 1 1.745 0.02 . 1 . . . . 144 A QB . 15941 1 1458 . 1 1 144 144 ALA HB2 H 1 1.745 0.02 . 1 . . . . 144 A QB . 15941 1 1459 . 1 1 144 144 ALA HB3 H 1 1.745 0.02 . 1 . . . . 144 A QB . 15941 1 1460 . 1 1 144 144 ALA N N 15 115.572 0.3 . 1 . . . . 144 A N . 15941 1 1461 . 1 1 145 145 LEU C C 13 173.923 0.3 . 1 . . . . 145 L C . 15941 1 1462 . 1 1 145 145 LEU CA C 13 51.270 0.3 . 1 . . . . 145 L CA . 15941 1 1463 . 1 1 145 145 LEU CB C 13 45.720 0.3 . 1 . . . . 145 L CB . 15941 1 1464 . 1 1 145 145 LEU CD1 C 13 21.947 0.3 . 2 . . . . 145 L CD1 . 15941 1 1465 . 1 1 145 145 LEU CD2 C 13 23.743 0.3 . 2 . . . . 145 L CD2 . 15941 1 1466 . 1 1 145 145 LEU CG C 13 24.495 0.3 . 1 . . . . 145 L CG . 15941 1 1467 . 1 1 145 145 LEU H H 1 8.119 0.02 . 1 . . . . 145 L H . 15941 1 1468 . 1 1 145 145 LEU HA H 1 5.602 0.02 . 1 . . . . 145 L HA . 15941 1 1469 . 1 1 145 145 LEU HB2 H 1 1.641 0.02 . 2 . . . . 145 L HB2 . 15941 1 1470 . 1 1 145 145 LEU HB3 H 1 2.364 0.02 . 2 . . . . 145 L HB3 . 15941 1 1471 . 1 1 145 145 LEU HD11 H 1 0.879 0.02 . 1 . . . . 145 L QD1 . 15941 1 1472 . 1 1 145 145 LEU HD12 H 1 0.879 0.02 . 1 . . . . 145 L QD1 . 15941 1 1473 . 1 1 145 145 LEU HD13 H 1 0.879 0.02 . 1 . . . . 145 L QD1 . 15941 1 1474 . 1 1 145 145 LEU HD21 H 1 0.731 0.02 . 1 . . . . 145 L QD2 . 15941 1 1475 . 1 1 145 145 LEU HD22 H 1 0.731 0.02 . 1 . . . . 145 L QD2 . 15941 1 1476 . 1 1 145 145 LEU HD23 H 1 0.731 0.02 . 1 . . . . 145 L QD2 . 15941 1 1477 . 1 1 145 145 LEU HG H 1 2.227 0.02 . 1 . . . . 145 L HG . 15941 1 1478 . 1 1 145 145 LEU N N 15 120.100 0.3 . 1 . . . . 145 L N . 15941 1 1479 . 1 1 146 146 LYS C C 13 173.776 0.3 . 1 . . . . 146 K C . 15941 1 1480 . 1 1 146 146 LYS CA C 13 53.405 0.3 . 1 . . . . 146 K CA . 15941 1 1481 . 1 1 146 146 LYS CB C 13 34.634 0.3 . 1 . . . . 146 K CB . 15941 1 1482 . 1 1 146 146 LYS CD C 13 27.452 0.3 . 1 . . . . 146 K CD . 15941 1 1483 . 1 1 146 146 LYS CE C 13 40.485 0.3 . 1 . . . . 146 K CE . 15941 1 1484 . 1 1 146 146 LYS CG C 13 22.950 0.3 . 1 . . . . 146 K CG . 15941 1 1485 . 1 1 146 146 LYS H H 1 9.158 0.02 . 1 . . . . 146 K H . 15941 1 1486 . 1 1 146 146 LYS HA H 1 4.869 0.02 . 1 . . . . 146 K HA . 15941 1 1487 . 1 1 146 146 LYS HB2 H 1 1.735 0.02 . 2 . . . . 146 K HB2 . 15941 1 1488 . 1 1 146 146 LYS HB3 H 1 1.642 0.02 . 2 . . . . 146 K HB3 . 15941 1 1489 . 1 1 146 146 LYS HD2 H 1 1.722 0.02 . 2 . . . . 146 K QD . 15941 1 1490 . 1 1 146 146 LYS HD3 H 1 1.722 0.02 . 2 . . . . 146 K QD . 15941 1 1491 . 1 1 146 146 LYS HE2 H 1 3.004 0.02 . 2 . . . . 146 K QE . 15941 1 1492 . 1 1 146 146 LYS HE3 H 1 3.004 0.02 . 2 . . . . 146 K QE . 15941 1 1493 . 1 1 146 146 LYS HG2 H 1 1.312 0.02 . 2 . . . . 146 K HG2 . 15941 1 1494 . 1 1 146 146 LYS HG3 H 1 1.234 0.02 . 2 . . . . 146 K HG3 . 15941 1 1495 . 1 1 146 146 LYS N N 15 120.681 0.3 . 1 . . . . 146 K N . 15941 1 1496 . 1 1 147 147 PHE C C 13 171.835 0.3 . 1 . . . . 147 F C . 15941 1 1497 . 1 1 147 147 PHE CA C 13 55.484 0.3 . 1 . . . . 147 F CA . 15941 1 1498 . 1 1 147 147 PHE CB C 13 38.378 0.3 . 1 . . . . 147 F CB . 15941 1 1499 . 1 1 147 147 PHE CD1 C 13 130.200 0.3 . 3 . . . . 147 F CD1 . 15941 1 1500 . 1 1 147 147 PHE CD2 C 13 130.200 0.3 . 3 . . . . 147 F CD2 . 15941 1 1501 . 1 1 147 147 PHE H H 1 7.760 0.02 . 1 . . . . 147 F H . 15941 1 1502 . 1 1 147 147 PHE HA H 1 4.284 0.02 . 1 . . . . 147 F HA . 15941 1 1503 . 1 1 147 147 PHE HB2 H 1 2.409 0.02 . 2 . . . . 147 F HB2 . 15941 1 1504 . 1 1 147 147 PHE HB3 H 1 1.934 0.02 . 2 . . . . 147 F HB3 . 15941 1 1505 . 1 1 147 147 PHE HD1 H 1 5.870 0.02 . 3 . . . . 147 F QD . 15941 1 1506 . 1 1 147 147 PHE HD2 H 1 5.870 0.02 . 3 . . . . 147 F QD . 15941 1 1507 . 1 1 147 147 PHE N N 15 127.025 0.3 . 1 . . . . 147 F N . 15941 1 1508 . 1 1 148 148 ILE CA C 13 52.976 0.3 . 1 . . . . 148 I CA . 15941 1 1509 . 1 1 148 148 ILE CB C 13 36.138 0.3 . 1 . . . . 148 I CB . 15941 1 1510 . 1 1 148 148 ILE CD1 C 13 15.917 0.3 . 1 . . . . 148 I CD1 . 15941 1 1511 . 1 1 148 148 ILE CG1 C 13 25.374 0.3 . 1 . . . . 148 I CG1 . 15941 1 1512 . 1 1 148 148 ILE CG2 C 13 14.870 0.3 . 1 . . . . 148 I CG2 . 15941 1 1513 . 1 1 148 148 ILE H H 1 8.527 0.02 . 1 . . . . 148 I H . 15941 1 1514 . 1 1 148 148 ILE HA H 1 4.211 0.02 . 1 . . . . 148 I HA . 15941 1 1515 . 1 1 148 148 ILE HB H 1 1.735 0.02 . 1 . . . . 148 I HB . 15941 1 1516 . 1 1 148 148 ILE HD11 H 1 0.923 0.02 . 1 . . . . 148 I QD1 . 15941 1 1517 . 1 1 148 148 ILE HD12 H 1 0.923 0.02 . 1 . . . . 148 I QD1 . 15941 1 1518 . 1 1 148 148 ILE HD13 H 1 0.923 0.02 . 1 . . . . 148 I QD1 . 15941 1 1519 . 1 1 148 148 ILE HG12 H 1 1.254 0.02 . 2 . . . . 148 I HG12 . 15941 1 1520 . 1 1 148 148 ILE HG13 H 1 1.440 0.02 . 2 . . . . 148 I HG13 . 15941 1 1521 . 1 1 148 148 ILE HG21 H 1 0.603 0.02 . 1 . . . . 148 I QG2 . 15941 1 1522 . 1 1 148 148 ILE HG22 H 1 0.603 0.02 . 1 . . . . 148 I QG2 . 15941 1 1523 . 1 1 148 148 ILE HG23 H 1 0.603 0.02 . 1 . . . . 148 I QG2 . 15941 1 1524 . 1 1 148 148 ILE N N 15 132.472 0.3 . 1 . . . . 148 I N . 15941 1 1525 . 1 1 149 149 PRO CA C 13 60.702 0.3 . 1 . . . . 149 P CA . 15941 1 1526 . 1 1 149 149 PRO CB C 13 30.321 0.3 . 1 . . . . 149 P CB . 15941 1 1527 . 1 1 149 149 PRO CD C 13 49.614 0.3 . 1 . . . . 149 P CD . 15941 1 1528 . 1 1 149 149 PRO CG C 13 24.939 0.3 . 1 . . . . 149 P CG . 15941 1 1529 . 1 1 149 149 PRO HA H 1 4.425 0.02 . 1 . . . . 149 P HA . 15941 1 1530 . 1 1 149 149 PRO HB2 H 1 2.594 0.02 . 2 . . . . 149 P HB2 . 15941 1 1531 . 1 1 149 149 PRO HB3 H 1 2.549 0.02 . 2 . . . . 149 P HB3 . 15941 1 1532 . 1 1 149 149 PRO HD2 H 1 2.971 0.02 . 2 . . . . 149 P HD2 . 15941 1 1533 . 1 1 149 149 PRO HD3 H 1 2.907 0.02 . 2 . . . . 149 P HD3 . 15941 1 1534 . 1 1 149 149 PRO HG2 H 1 2.051 0.02 . 2 . . . . 149 P HG2 . 15941 1 1535 . 1 1 149 149 PRO HG3 H 1 1.968 0.02 . 2 . . . . 149 P HG3 . 15941 1 1536 . 1 1 150 150 ARG C C 13 175.704 0.3 . 1 . . . . 150 R C . 15941 1 1537 . 1 1 150 150 ARG CA C 13 56.558 0.3 . 1 . . . . 150 R CA . 15941 1 1538 . 1 1 150 150 ARG CB C 13 27.696 0.3 . 1 . . . . 150 R CB . 15941 1 1539 . 1 1 150 150 ARG CD C 13 41.923 0.3 . 1 . . . . 150 R CD . 15941 1 1540 . 1 1 150 150 ARG CG C 13 31.240 0.3 . 1 . . . . 150 R CG . 15941 1 1541 . 1 1 150 150 ARG H H 1 8.198 0.02 . 1 . . . . 150 R H . 15941 1 1542 . 1 1 150 150 ARG HA H 1 4.082 0.02 . 1 . . . . 150 R HA . 15941 1 1543 . 1 1 150 150 ARG HB2 H 1 2.365 0.02 . 2 . . . . 150 R HB2 . 15941 1 1544 . 1 1 150 150 ARG HB3 H 1 2.311 0.02 . 2 . . . . 150 R HB3 . 15941 1 1545 . 1 1 150 150 ARG HD2 H 1 3.409 0.02 . 2 . . . . 150 R HD2 . 15941 1 1546 . 1 1 150 150 ARG HD3 H 1 2.111 0.02 . 2 . . . . 150 R HD3 . 15941 1 1547 . 1 1 150 150 ARG HG2 H 1 1.278 0.02 . 2 . . . . 150 R HG2 . 15941 1 1548 . 1 1 150 150 ARG HG3 H 1 1.173 0.02 . 2 . . . . 150 R HG3 . 15941 1 1549 . 1 1 150 150 ARG N N 15 124.065 0.3 . 1 . . . . 150 R N . 15941 1 1550 . 1 1 151 151 ASP C C 13 175.385 0.3 . 1 . . . . 151 D C . 15941 1 1551 . 1 1 151 151 ASP CA C 13 53.185 0.3 . 1 . . . . 151 D CA . 15941 1 1552 . 1 1 151 151 ASP CB C 13 38.002 0.3 . 1 . . . . 151 D CB . 15941 1 1553 . 1 1 151 151 ASP H H 1 8.462 0.02 . 1 . . . . 151 D H . 15941 1 1554 . 1 1 151 151 ASP HA H 1 4.440 0.02 . 1 . . . . 151 D HA . 15941 1 1555 . 1 1 151 151 ASP HB2 H 1 2.819 0.02 . 2 . . . . 151 D HB2 . 15941 1 1556 . 1 1 151 151 ASP HB3 H 1 2.663 0.02 . 2 . . . . 151 D HB3 . 15941 1 1557 . 1 1 151 151 ASP N N 15 114.524 0.3 . 1 . . . . 151 D N . 15941 1 1558 . 1 1 152 152 GLN C C 13 174.587 0.3 . 1 . . . . 152 Q C . 15941 1 1559 . 1 1 152 152 GLN CA C 13 53.095 0.3 . 1 . . . . 152 Q CA . 15941 1 1560 . 1 1 152 152 GLN CB C 13 27.529 0.3 . 1 . . . . 152 Q CB . 15941 1 1561 . 1 1 152 152 GLN CG C 13 31.984 0.3 . 1 . . . . 152 Q CG . 15941 1 1562 . 1 1 152 152 GLN H H 1 8.140 0.02 . 1 . . . . 152 Q H . 15941 1 1563 . 1 1 152 152 GLN HA H 1 4.405 0.02 . 1 . . . . 152 Q HA . 15941 1 1564 . 1 1 152 152 GLN HB2 H 1 2.363 0.02 . 2 . . . . 152 Q QB . 15941 1 1565 . 1 1 152 152 GLN HB3 H 1 2.363 0.02 . 2 . . . . 152 Q QB . 15941 1 1566 . 1 1 152 152 GLN HG2 H 1 2.304 0.02 . 2 . . . . 152 Q QG . 15941 1 1567 . 1 1 152 152 GLN HG3 H 1 2.304 0.02 . 2 . . . . 152 Q QG . 15941 1 1568 . 1 1 152 152 GLN HE21 H 1 23.893 0.02 . 2 . . . . 152 Q QE . 15941 1 1569 . 1 1 152 152 GLN HE22 H 1 21.366 0.02 . 2 . . . . 152 Q QE . 15941 1 1570 . 1 1 152 152 GLN N N 15 118.806 0.3 . 1 . . . . 152 Q N . 15941 1 1571 . 1 1 152 152 GLN NE2 N 15 133.880 0.3 . 1 . . . . 152 Q NE . 15941 1 1572 . 1 1 153 153 ILE C C 13 173.665 0.3 . 1 . . . . 153 I C . 15941 1 1573 . 1 1 153 153 ILE CA C 13 61.978 0.3 . 1 . . . . 153 I CA . 15941 1 1574 . 1 1 153 153 ILE CB C 13 36.740 0.3 . 1 . . . . 153 I CB . 15941 1 1575 . 1 1 153 153 ILE CD1 C 13 13.398 0.3 . 1 . . . . 153 I CD1 . 15941 1 1576 . 1 1 153 153 ILE CG1 C 13 25.497 0.3 . 1 . . . . 153 I CG1 . 15941 1 1577 . 1 1 153 153 ILE CG2 C 13 15.373 0.3 . 1 . . . . 153 I CG2 . 15941 1 1578 . 1 1 153 153 ILE H H 1 7.048 0.02 . 1 . . . . 153 I H . 15941 1 1579 . 1 1 153 153 ILE HA H 1 3.595 0.02 . 1 . . . . 153 I HA . 15941 1 1580 . 1 1 153 153 ILE HB H 1 1.769 0.02 . 1 . . . . 153 I HB . 15941 1 1581 . 1 1 153 153 ILE HD11 H 1 0.803 0.02 . 1 . . . . 153 I QD1 . 15941 1 1582 . 1 1 153 153 ILE HD12 H 1 0.803 0.02 . 1 . . . . 153 I QD1 . 15941 1 1583 . 1 1 153 153 ILE HD13 H 1 0.803 0.02 . 1 . . . . 153 I QD1 . 15941 1 1584 . 1 1 153 153 ILE HG12 H 1 1.617 0.02 . 2 . . . . 153 I HG12 . 15941 1 1585 . 1 1 153 153 ILE HG13 H 1 1.588 0.02 . 2 . . . . 153 I HG13 . 15941 1 1586 . 1 1 153 153 ILE HG21 H 1 0.748 0.02 . 1 . . . . 153 I QG2 . 15941 1 1587 . 1 1 153 153 ILE HG22 H 1 0.748 0.02 . 1 . . . . 153 I QG2 . 15941 1 1588 . 1 1 153 153 ILE HG23 H 1 0.748 0.02 . 1 . . . . 153 I QG2 . 15941 1 1589 . 1 1 153 153 ILE N N 15 121.495 0.3 . 1 . . . . 153 I N . 15941 1 1590 . 1 1 154 154 GLY CA C 13 44.286 0.3 . 1 . . . . 154 G CA . 15941 1 1591 . 1 1 154 154 GLY H H 1 7.535 0.02 . 1 . . . . 154 G H . 15941 1 1592 . 1 1 154 154 GLY HA2 H 1 3.679 0.02 . 2 . . . . 154 G QA . 15941 1 1593 . 1 1 154 154 GLY HA3 H 1 3.679 0.02 . 2 . . . . 154 G QA . 15941 1 1594 . 1 1 154 154 GLY N N 15 119.665 0.3 . 1 . . . . 154 G N . 15941 1 stop_ save_