data_18792 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18792 _Entry.Title ; Solution structure of BCL-xL determined with selective isotope labelling of I,L,V sidechains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-19 _Entry.Accession_date 2012-10-19 _Entry.Last_release_date 2012-10-24 _Entry.Original_release_date 2012-10-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Ariele 'Viacava Follis' . . . . 18792 2 Grace Royappa . . . . 18792 3 Richard Kriwacki . W. . . 18792 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 1 'not applicable' 'not applicable' . 18792 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BCL-xL . 18792 PUMA . 18792 apoptosis . 18792 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18792 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 536 18792 '15N chemical shifts' 171 18792 '1H chemical shifts' 343 18792 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-07-01 2012-10-19 update BMRB 'update entry citation' 18792 1 . . 2013-01-22 2012-10-19 original author 'original release' 18792 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18793 'BCL-xL in complex with PUMA BH3 peptide' 18792 PDB 2M03 'BMRB Entry Tracking System' 18792 PDB 2M04 'Solution structure of BCL-xL in complex with PUMA BH3 peptide' 18792 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18792 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23340338 _Citation.Full_citation . _Citation.Title ; PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full 'Nature chemical biology' _Citation.Journal_volume 9 _Citation.Journal_issue 3 _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 163 _Citation.Page_last 168 _Citation.Year 2013 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Ariele Viacava' Follis . . . . 18792 1 2 Jerry Chipuk . E. . . 18792 1 3 John Fisher . C. . . 18792 1 4 Mi-Kyung Yun . . . . 18792 1 5 Christy Grace . R. . . 18792 1 6 Amanda Nourse . . . . 18792 1 7 Katherine Baran . . . . 18792 1 8 Li Ou . . . . 18792 1 9 Lie Min . . . . 18792 1 10 Stephen White . W. . . 18792 1 11 Douglas Green . R. . . 18792 1 12 Richard Kriwacki . W. . . 18792 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18792 _Assembly.ID 1 _Assembly.Name BCL-xL _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BCL-xL_apo 1 $BCL-xL_apo A . yes native no no . . . 18792 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BCL-xL_apo _Entity.Sf_category entity _Entity.Sf_framecode BCL-xL_apo _Entity.Entry_ID 18792 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BCL-xL_apo _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 ; MSMAMSQSNRELVVDFLSYK LSQKGYSWSQFSDVEENRTE APEGTESEAVKQALREAGDE FELRYRRAFSDLTSQLHITP GTAYQSFEQVVNELFRDGVN WGRIVAFFSFGGALCVESVD KEMQVLVSRIAAWMATYLND HLEPWIQENGGWDTFVELYG NNAAAESRKGQERLEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Wild-type Human protein with truncation of 22 C terminal residues and disordered loop between alpha helices 1 and 2' _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 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20252.496 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 GB CAA80661 . 'Bcl-xL [Homo sapiens]' . . . . . . . . . . . . . . 18792 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18792 1 2 . SER . 18792 1 3 . MET . 18792 1 4 . ALA . 18792 1 5 . MET . 18792 1 6 . SER . 18792 1 7 . GLN . 18792 1 8 . SER . 18792 1 9 . ASN . 18792 1 10 . ARG . 18792 1 11 . GLU . 18792 1 12 . LEU . 18792 1 13 . VAL . 18792 1 14 . VAL . 18792 1 15 . ASP . 18792 1 16 . PHE . 18792 1 17 . LEU . 18792 1 18 . SER . 18792 1 19 . TYR . 18792 1 20 . LYS . 18792 1 21 . LEU . 18792 1 22 . SER . 18792 1 23 . GLN . 18792 1 24 . LYS . 18792 1 25 . GLY . 18792 1 26 . TYR . 18792 1 27 . SER . 18792 1 28 . TRP . 18792 1 29 . SER . 18792 1 30 . GLN . 18792 1 31 . PHE . 18792 1 32 . SER . 18792 1 33 . ASP . 18792 1 34 . VAL . 18792 1 35 . GLU . 18792 1 36 . GLU . 18792 1 37 . ASN . 18792 1 38 . ARG . 18792 1 39 . THR . 18792 1 40 . GLU . 18792 1 41 . ALA . 18792 1 42 . PRO . 18792 1 43 . GLU . 18792 1 44 . GLY . 18792 1 45 . THR . 18792 1 46 . GLU . 18792 1 47 . SER . 18792 1 48 . GLU . 18792 1 49 . ALA . 18792 1 50 . VAL . 18792 1 51 . LYS . 18792 1 52 . GLN . 18792 1 53 . ALA . 18792 1 54 . LEU . 18792 1 55 . ARG . 18792 1 56 . GLU . 18792 1 57 . ALA . 18792 1 58 . GLY . 18792 1 59 . ASP . 18792 1 60 . GLU . 18792 1 61 . PHE . 18792 1 62 . GLU . 18792 1 63 . LEU . 18792 1 64 . ARG . 18792 1 65 . TYR . 18792 1 66 . ARG . 18792 1 67 . ARG . 18792 1 68 . ALA . 18792 1 69 . PHE . 18792 1 70 . SER . 18792 1 71 . ASP . 18792 1 72 . LEU . 18792 1 73 . THR . 18792 1 74 . SER . 18792 1 75 . GLN . 18792 1 76 . LEU . 18792 1 77 . HIS . 18792 1 78 . ILE . 18792 1 79 . THR . 18792 1 80 . PRO . 18792 1 81 . GLY . 18792 1 82 . THR . 18792 1 83 . ALA . 18792 1 84 . TYR . 18792 1 85 . GLN . 18792 1 86 . SER . 18792 1 87 . PHE . 18792 1 88 . GLU . 18792 1 89 . GLN . 18792 1 90 . VAL . 18792 1 91 . VAL . 18792 1 92 . ASN . 18792 1 93 . GLU . 18792 1 94 . LEU . 18792 1 95 . PHE . 18792 1 96 . ARG . 18792 1 97 . ASP . 18792 1 98 . GLY . 18792 1 99 . VAL . 18792 1 100 . ASN . 18792 1 101 . TRP . 18792 1 102 . GLY . 18792 1 103 . ARG . 18792 1 104 . ILE . 18792 1 105 . VAL . 18792 1 106 . ALA . 18792 1 107 . PHE . 18792 1 108 . PHE . 18792 1 109 . SER . 18792 1 110 . PHE . 18792 1 111 . GLY . 18792 1 112 . GLY . 18792 1 113 . ALA . 18792 1 114 . LEU . 18792 1 115 . CYS . 18792 1 116 . VAL . 18792 1 117 . GLU . 18792 1 118 . SER . 18792 1 119 . VAL . 18792 1 120 . ASP . 18792 1 121 . LYS . 18792 1 122 . GLU . 18792 1 123 . MET . 18792 1 124 . GLN . 18792 1 125 . VAL . 18792 1 126 . LEU . 18792 1 127 . VAL . 18792 1 128 . SER . 18792 1 129 . ARG . 18792 1 130 . ILE . 18792 1 131 . ALA . 18792 1 132 . ALA . 18792 1 133 . TRP . 18792 1 134 . MET . 18792 1 135 . ALA . 18792 1 136 . THR . 18792 1 137 . TYR . 18792 1 138 . LEU . 18792 1 139 . ASN . 18792 1 140 . ASP . 18792 1 141 . HIS . 18792 1 142 . LEU . 18792 1 143 . GLU . 18792 1 144 . PRO . 18792 1 145 . TRP . 18792 1 146 . ILE . 18792 1 147 . GLN . 18792 1 148 . GLU . 18792 1 149 . ASN . 18792 1 150 . GLY . 18792 1 151 . GLY . 18792 1 152 . TRP . 18792 1 153 . ASP . 18792 1 154 . THR . 18792 1 155 . PHE . 18792 1 156 . VAL . 18792 1 157 . GLU . 18792 1 158 . LEU . 18792 1 159 . TYR . 18792 1 160 . GLY . 18792 1 161 . ASN . 18792 1 162 . ASN . 18792 1 163 . ALA . 18792 1 164 . ALA . 18792 1 165 . ALA . 18792 1 166 . GLU . 18792 1 167 . SER . 18792 1 168 . ARG . 18792 1 169 . LYS . 18792 1 170 . GLY . 18792 1 171 . GLN . 18792 1 172 . GLU . 18792 1 173 . ARG . 18792 1 174 . LEU . 18792 1 175 . GLU . 18792 1 176 . HIS . 18792 1 177 . HIS . 18792 1 178 . HIS . 18792 1 179 . HIS . 18792 1 180 . HIS . 18792 1 181 . HIS . 18792 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18792 1 . SER 2 2 18792 1 . MET 3 3 18792 1 . ALA 4 4 18792 1 . MET 5 5 18792 1 . SER 6 6 18792 1 . GLN 7 7 18792 1 . SER 8 8 18792 1 . ASN 9 9 18792 1 . ARG 10 10 18792 1 . GLU 11 11 18792 1 . LEU 12 12 18792 1 . VAL 13 13 18792 1 . VAL 14 14 18792 1 . ASP 15 15 18792 1 . PHE 16 16 18792 1 . LEU 17 17 18792 1 . SER 18 18 18792 1 . TYR 19 19 18792 1 . LYS 20 20 18792 1 . LEU 21 21 18792 1 . SER 22 22 18792 1 . GLN 23 23 18792 1 . LYS 24 24 18792 1 . GLY 25 25 18792 1 . TYR 26 26 18792 1 . SER 27 27 18792 1 . TRP 28 28 18792 1 . SER 29 29 18792 1 . GLN 30 30 18792 1 . PHE 31 31 18792 1 . SER 32 32 18792 1 . ASP 33 33 18792 1 . VAL 34 34 18792 1 . GLU 35 35 18792 1 . GLU 36 36 18792 1 . ASN 37 37 18792 1 . ARG 38 38 18792 1 . THR 39 39 18792 1 . GLU 40 40 18792 1 . ALA 41 41 18792 1 . PRO 42 42 18792 1 . GLU 43 43 18792 1 . GLY 44 44 18792 1 . THR 45 45 18792 1 . GLU 46 46 18792 1 . SER 47 47 18792 1 . GLU 48 48 18792 1 . ALA 49 49 18792 1 . VAL 50 50 18792 1 . LYS 51 51 18792 1 . GLN 52 52 18792 1 . ALA 53 53 18792 1 . LEU 54 54 18792 1 . ARG 55 55 18792 1 . GLU 56 56 18792 1 . ALA 57 57 18792 1 . GLY 58 58 18792 1 . ASP 59 59 18792 1 . GLU 60 60 18792 1 . PHE 61 61 18792 1 . GLU 62 62 18792 1 . LEU 63 63 18792 1 . ARG 64 64 18792 1 . TYR 65 65 18792 1 . ARG 66 66 18792 1 . ARG 67 67 18792 1 . ALA 68 68 18792 1 . PHE 69 69 18792 1 . SER 70 70 18792 1 . ASP 71 71 18792 1 . LEU 72 72 18792 1 . THR 73 73 18792 1 . SER 74 74 18792 1 . GLN 75 75 18792 1 . LEU 76 76 18792 1 . HIS 77 77 18792 1 . ILE 78 78 18792 1 . THR 79 79 18792 1 . PRO 80 80 18792 1 . GLY 81 81 18792 1 . THR 82 82 18792 1 . ALA 83 83 18792 1 . TYR 84 84 18792 1 . GLN 85 85 18792 1 . SER 86 86 18792 1 . PHE 87 87 18792 1 . GLU 88 88 18792 1 . GLN 89 89 18792 1 . VAL 90 90 18792 1 . VAL 91 91 18792 1 . ASN 92 92 18792 1 . GLU 93 93 18792 1 . LEU 94 94 18792 1 . PHE 95 95 18792 1 . ARG 96 96 18792 1 . ASP 97 97 18792 1 . GLY 98 98 18792 1 . VAL 99 99 18792 1 . ASN 100 100 18792 1 . TRP 101 101 18792 1 . GLY 102 102 18792 1 . ARG 103 103 18792 1 . ILE 104 104 18792 1 . VAL 105 105 18792 1 . ALA 106 106 18792 1 . PHE 107 107 18792 1 . PHE 108 108 18792 1 . SER 109 109 18792 1 . PHE 110 110 18792 1 . GLY 111 111 18792 1 . GLY 112 112 18792 1 . ALA 113 113 18792 1 . LEU 114 114 18792 1 . CYS 115 115 18792 1 . VAL 116 116 18792 1 . GLU 117 117 18792 1 . SER 118 118 18792 1 . VAL 119 119 18792 1 . ASP 120 120 18792 1 . LYS 121 121 18792 1 . GLU 122 122 18792 1 . MET 123 123 18792 1 . GLN 124 124 18792 1 . VAL 125 125 18792 1 . LEU 126 126 18792 1 . VAL 127 127 18792 1 . SER 128 128 18792 1 . ARG 129 129 18792 1 . ILE 130 130 18792 1 . ALA 131 131 18792 1 . ALA 132 132 18792 1 . TRP 133 133 18792 1 . MET 134 134 18792 1 . ALA 135 135 18792 1 . THR 136 136 18792 1 . TYR 137 137 18792 1 . LEU 138 138 18792 1 . ASN 139 139 18792 1 . ASP 140 140 18792 1 . HIS 141 141 18792 1 . LEU 142 142 18792 1 . GLU 143 143 18792 1 . PRO 144 144 18792 1 . TRP 145 145 18792 1 . ILE 146 146 18792 1 . GLN 147 147 18792 1 . GLU 148 148 18792 1 . ASN 149 149 18792 1 . GLY 150 150 18792 1 . GLY 151 151 18792 1 . TRP 152 152 18792 1 . ASP 153 153 18792 1 . THR 154 154 18792 1 . PHE 155 155 18792 1 . VAL 156 156 18792 1 . GLU 157 157 18792 1 . LEU 158 158 18792 1 . TYR 159 159 18792 1 . GLY 160 160 18792 1 . ASN 161 161 18792 1 . ASN 162 162 18792 1 . ALA 163 163 18792 1 . ALA 164 164 18792 1 . ALA 165 165 18792 1 . GLU 166 166 18792 1 . SER 167 167 18792 1 . ARG 168 168 18792 1 . LYS 169 169 18792 1 . GLY 170 170 18792 1 . GLN 171 171 18792 1 . GLU 172 172 18792 1 . ARG 173 173 18792 1 . LEU 174 174 18792 1 . GLU 175 175 18792 1 . HIS 176 176 18792 1 . HIS 177 177 18792 1 . HIS 178 178 18792 1 . HIS 179 179 18792 1 . HIS 180 180 18792 1 . HIS 181 181 18792 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18792 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BCL-xL_apo . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'BCL2-like 1' . 18792 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 18792 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BCL-xL_apo . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET28 . . . 18792 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18792 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM Na phosphate 40 mM NaCl 0.1% NaN3 pH 7.0 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 BCL-xL_apo '[U-100% 13C; U-100% 15N; U-95% 2H; Ile,Leu,Val C1H3]' . . 1 $BCL-xL_apo . . 0.9 . . mM . . . . 18792 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18792 1 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 18792 1 4 NaN3 'natural abundance' . . . . . . 0.1 . . % . . . . 18792 1 5 H2O 'natural abundance' . . . . . . 92 . . % . . . . 18792 1 6 D2O 'natural abundance' . . . . . . 8 . . % . . . . 18792 1 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 18792 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 18792 1 pH 7.0 0.05 pH 18792 1 pressure 1 . atm 18792 1 temperature 273 . K 18792 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18792 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18792 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18792 1 . processing 18792 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18792 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18792 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18792 2 . 'data analysis' 18792 2 . 'peak picking' 18792 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18792 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18792 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18792 3 . 'peak picking' 18792 3 . 'structure solution' 18792 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18792 _Software.ID 4 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 18792 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 18792 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 18792 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenically-cooled, triple-resonance single-axis gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18792 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenically-cooled, triple-resonance single-axis gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18792 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'cryogenically-cooled, triple-resonance single-axis gradient probe' . . 18792 1 2 spectrometer_2 Bruker Avance . 600 'cryogenically-cooled, triple-resonance single-axis gradient probe' . . 18792 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 18792 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18792 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 18792 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.25144 'separate tube (no insert) similar to the experimental sample tube' . . . . 18792 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 18792 1 N 15 '[15N] nitromethane' nitrogen . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) not similar to the experimental sample tube' . . . . 18792 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 18792 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 3 '3D HNCA' . . . 18792 1 4 '3D HN(CO)CA' . . . 18792 1 5 '3D HNCACB' . . . 18792 1 6 '3D CBCA(CO)NH' . . . 18792 1 7 '3D HNCO' . . . 18792 1 8 '3D HN(CA)CO' . . . 18792 1 9 '3D HCCH-TOCSY' . . . 18792 1 10 '3D 1H-15N NOESY' . . . 18792 1 11 '3D 1H-13C NOESY aliphatic' . . . 18792 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.Ambiguity_set_ID _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 4 4 ALA H H 1 8.414 0.020 . 1 . . . . A 4 ALA H . 18792 1 2 . 1 1 4 4 ALA C C 13 178.272 0.3 . 1 . . . . A 4 ALA C . 18792 1 3 . 1 1 4 4 ALA CA C 13 52.566 0.3 . 1 . . . . A 4 ALA CA . 18792 1 4 . 1 1 4 4 ALA CB C 13 18.234 0.3 . 1 . . . . A 4 ALA CB . 18792 1 5 . 1 1 4 4 ALA N N 15 124.786 0.3 . 1 . . . . A 4 ALA N . 18792 1 6 . 1 1 5 5 MET H H 1 8.336 0.020 . 1 . . . . A 5 MET H . 18792 1 7 . 1 1 5 5 MET C C 13 176.929 0.3 . 1 . . . . A 5 MET C . 18792 1 8 . 1 1 5 5 MET CA C 13 55.594 0.3 . 1 . . . . A 5 MET CA . 18792 1 9 . 1 1 5 5 MET CB C 13 31.540 0.3 . 1 . . . . A 5 MET CB . 18792 1 10 . 1 1 5 5 MET N N 15 119.681 0.3 . 1 . . . . A 5 MET N . 18792 1 11 . 1 1 6 6 SER H H 1 8.272 0.020 . 1 . . . . A 6 SER H . 18792 1 12 . 1 1 6 6 SER C C 13 175.924 0.3 . 1 . . . . A 6 SER C . 18792 1 13 . 1 1 6 6 SER CA C 13 59.009 0.3 . 1 . . . . A 6 SER CA . 18792 1 14 . 1 1 6 6 SER CB C 13 62.537 0.3 . 1 . . . . A 6 SER CB . 18792 1 15 . 1 1 6 6 SER N N 15 116.162 0.3 . 1 . . . . A 6 SER N . 18792 1 16 . 1 1 7 7 GLN H H 1 8.314 0.020 . 1 . . . . A 7 GLN H . 18792 1 17 . 1 1 7 7 GLN C C 13 177.027 0.3 . 1 . . . . A 7 GLN C . 18792 1 18 . 1 1 7 7 GLN CA C 13 56.270 0.3 . 1 . . . . A 7 GLN CA . 18792 1 19 . 1 1 7 7 GLN CB C 13 27.739 0.3 . 1 . . . . A 7 GLN CB . 18792 1 20 . 1 1 7 7 GLN N N 15 122.263 0.3 . 1 . . . . A 7 GLN N . 18792 1 21 . 1 1 8 8 SER H H 1 8.333 0.020 . 1 . . . . A 8 SER H . 18792 1 22 . 1 1 8 8 SER C C 13 176.457 0.3 . 1 . . . . A 8 SER C . 18792 1 23 . 1 1 8 8 SER CA C 13 59.650 0.3 . 1 . . . . A 8 SER CA . 18792 1 24 . 1 1 8 8 SER CB C 13 62.226 0.3 . 1 . . . . A 8 SER CB . 18792 1 25 . 1 1 8 8 SER N N 15 116.625 0.3 . 1 . . . . A 8 SER N . 18792 1 26 . 1 1 9 9 ASN H H 1 8.611 0.020 . 1 . . . . A 9 ASN H . 18792 1 27 . 1 1 9 9 ASN C C 13 177.419 0.3 . 1 . . . . A 9 ASN C . 18792 1 28 . 1 1 9 9 ASN CA C 13 55.487 0.3 . 1 . . . . A 9 ASN CA . 18792 1 29 . 1 1 9 9 ASN CB C 13 37.133 0.3 . 1 . . . . A 9 ASN CB . 18792 1 30 . 1 1 9 9 ASN N N 15 121.307 0.3 . 1 . . . . A 9 ASN N . 18792 1 31 . 1 1 10 10 ARG H H 1 7.996 0.020 . 1 . . . . A 10 ARG H . 18792 1 32 . 1 1 10 10 ARG C C 13 177.615 0.3 . 1 . . . . A 10 ARG C . 18792 1 33 . 1 1 10 10 ARG CA C 13 59.258 0.3 . 1 . . . . A 10 ARG CA . 18792 1 34 . 1 1 10 10 ARG CB C 13 28.199 0.3 . 1 . . . . A 10 ARG CB . 18792 1 35 . 1 1 10 10 ARG N N 15 119.830 0.3 . 1 . . . . A 10 ARG N . 18792 1 36 . 1 1 11 11 GLU H H 1 7.885 0.020 . 1 . . . . A 11 GLU H . 18792 1 37 . 1 1 11 11 GLU C C 13 179.649 0.3 . 1 . . . . A 11 GLU C . 18792 1 38 . 1 1 11 11 GLU CA C 13 59.009 0.3 . 1 . . . . A 11 GLU CA . 18792 1 39 . 1 1 11 11 GLU CB C 13 28.121 0.3 . 1 . . . . A 11 GLU CB . 18792 1 40 . 1 1 11 11 GLU N N 15 117.270 0.3 . 1 . . . . A 11 GLU N . 18792 1 41 . 1 1 12 12 LEU H H 1 7.691 0.020 . 1 . . . . A 12 LEU H . 18792 1 42 . 1 1 12 12 LEU HD11 H 1 -0.027 0.020 . 1 . . . . A 12 LEU HD11 . 18792 1 43 . 1 1 12 12 LEU HD12 H 1 -0.027 0.020 . 1 . . . . A 12 LEU HD12 . 18792 1 44 . 1 1 12 12 LEU HD13 H 1 -0.027 0.020 . 1 . . . . A 12 LEU HD13 . 18792 1 45 . 1 1 12 12 LEU HD21 H 1 -0.156 0.020 . 1 . . . . A 12 LEU HD21 . 18792 1 46 . 1 1 12 12 LEU HD22 H 1 -0.156 0.020 . 1 . . . . A 12 LEU HD22 . 18792 1 47 . 1 1 12 12 LEU HD23 H 1 -0.156 0.020 . 1 . . . . A 12 LEU HD23 . 18792 1 48 . 1 1 12 12 LEU C C 13 178.473 0.3 . 1 . . . . A 12 LEU C . 18792 1 49 . 1 1 12 12 LEU CA C 13 57.693 0.3 . 1 . . . . A 12 LEU CA . 18792 1 50 . 1 1 12 12 LEU CB C 13 40.629 0.3 . 1 . . . . A 12 LEU CB . 18792 1 51 . 1 1 12 12 LEU CD1 C 13 23.070 0.3 . 1 . . . . A 12 LEU CD1 . 18792 1 52 . 1 1 12 12 LEU CD2 C 13 23.693 0.3 . 1 . . . . A 12 LEU CD2 . 18792 1 53 . 1 1 12 12 LEU N N 15 119.900 0.3 . 1 . . . . A 12 LEU N . 18792 1 54 . 1 1 13 13 VAL H H 1 7.629 0.020 . 1 . . . . A 13 VAL H . 18792 1 55 . 1 1 13 13 VAL HG11 H 1 1.072 0.020 . 1 . . . . A 13 VAL HG11 . 18792 1 56 . 1 1 13 13 VAL HG12 H 1 1.072 0.020 . 1 . . . . A 13 VAL HG12 . 18792 1 57 . 1 1 13 13 VAL HG13 H 1 1.072 0.020 . 1 . . . . A 13 VAL HG13 . 18792 1 58 . 1 1 13 13 VAL HG21 H 1 0.934 0.020 . 1 . . . . A 13 VAL HG21 . 18792 1 59 . 1 1 13 13 VAL HG22 H 1 0.934 0.020 . 1 . . . . A 13 VAL HG22 . 18792 1 60 . 1 1 13 13 VAL HG23 H 1 0.934 0.020 . 1 . . . . A 13 VAL HG23 . 18792 1 61 . 1 1 13 13 VAL C C 13 177.272 0.3 . 1 . . . . A 13 VAL C . 18792 1 62 . 1 1 13 13 VAL CA C 13 67.156 0.3 . 1 . . . . A 13 VAL CA . 18792 1 63 . 1 1 13 13 VAL CB C 13 31.229 0.3 . 1 . . . . A 13 VAL CB . 18792 1 64 . 1 1 13 13 VAL CG1 C 13 22.313 0.3 . 1 . . . . A 13 VAL CG1 . 18792 1 65 . 1 1 13 13 VAL CG2 C 13 23.339 0.3 . 1 . . . . A 13 VAL CG2 . 18792 1 66 . 1 1 13 13 VAL N N 15 117.320 0.3 . 1 . . . . A 13 VAL N . 18792 1 67 . 1 1 14 14 VAL H H 1 8.210 0.020 . 1 . . . . A 14 VAL H . 18792 1 68 . 1 1 14 14 VAL HG11 H 1 0.709 0.020 . 1 . . . . A 14 VAL HG11 . 18792 1 69 . 1 1 14 14 VAL HG12 H 1 0.709 0.020 . 1 . . . . A 14 VAL HG12 . 18792 1 70 . 1 1 14 14 VAL HG13 H 1 0.709 0.020 . 1 . . . . A 14 VAL HG13 . 18792 1 71 . 1 1 14 14 VAL HG21 H 1 0.677 0.020 . 1 . . . . A 14 VAL HG21 . 18792 1 72 . 1 1 14 14 VAL HG22 H 1 0.677 0.020 . 1 . . . . A 14 VAL HG22 . 18792 1 73 . 1 1 14 14 VAL HG23 H 1 0.677 0.020 . 1 . . . . A 14 VAL HG23 . 18792 1 74 . 1 1 14 14 VAL C C 13 178.718 0.3 . 1 . . . . A 14 VAL C . 18792 1 75 . 1 1 14 14 VAL CA C 13 66.516 0.3 . 1 . . . . A 14 VAL CA . 18792 1 76 . 1 1 14 14 VAL CB C 13 30.374 0.3 . 1 . . . . A 14 VAL CB . 18792 1 77 . 1 1 14 14 VAL CG1 C 13 22.685 0.3 . 1 . . . . A 14 VAL CG1 . 18792 1 78 . 1 1 14 14 VAL CG2 C 13 20.743 0.3 . 1 . . . . A 14 VAL CG2 . 18792 1 79 . 1 1 14 14 VAL N N 15 116.659 0.3 . 1 . . . . A 14 VAL N . 18792 1 80 . 1 1 15 15 ASP H H 1 7.967 0.020 . 1 . . . . A 15 ASP H . 18792 1 81 . 1 1 15 15 ASP C C 13 177.557 0.3 . 1 . . . . A 15 ASP C . 18792 1 82 . 1 1 15 15 ASP CA C 13 58.476 0.3 . 1 . . . . A 15 ASP CA . 18792 1 83 . 1 1 15 15 ASP CB C 13 42.553 0.3 . 1 . . . . A 15 ASP CB . 18792 1 84 . 1 1 15 15 ASP N N 15 120.374 0.3 . 1 . . . . A 15 ASP N . 18792 1 85 . 1 1 16 16 PHE H H 1 8.228 0.020 . 1 . . . . A 16 PHE H . 18792 1 86 . 1 1 16 16 PHE C C 13 178.252 0.3 . 1 . . . . A 16 PHE C . 18792 1 87 . 1 1 16 16 PHE CA C 13 62.780 0.3 . 1 . . . . A 16 PHE CA . 18792 1 88 . 1 1 16 16 PHE CB C 13 39.060 0.3 . 1 . . . . A 16 PHE CB . 18792 1 89 . 1 1 16 16 PHE N N 15 119.864 0.3 . 1 . . . . A 16 PHE N . 18792 1 90 . 1 1 17 17 LEU H H 1 8.766 0.020 . 1 . . . . A 17 LEU H . 18792 1 91 . 1 1 17 17 LEU HD11 H 1 0.796 0.020 . 1 . . . . A 17 LEU HD11 . 18792 1 92 . 1 1 17 17 LEU HD12 H 1 0.796 0.020 . 1 . . . . A 17 LEU HD12 . 18792 1 93 . 1 1 17 17 LEU HD13 H 1 0.796 0.020 . 1 . . . . A 17 LEU HD13 . 18792 1 94 . 1 1 17 17 LEU HD21 H 1 0.796 0.020 . 1 . . . . A 17 LEU HD21 . 18792 1 95 . 1 1 17 17 LEU HD22 H 1 0.796 0.020 . 1 . . . . A 17 LEU HD22 . 18792 1 96 . 1 1 17 17 LEU HD23 H 1 0.796 0.020 . 1 . . . . A 17 LEU HD23 . 18792 1 97 . 1 1 17 17 LEU C C 13 179.649 0.3 . 1 . . . . A 17 LEU C . 18792 1 98 . 1 1 17 17 LEU CA C 13 57.764 0.3 . 1 . . . . A 17 LEU CA . 18792 1 99 . 1 1 17 17 LEU CB C 13 40.085 0.3 . 1 . . . . A 17 LEU CB . 18792 1 100 . 1 1 17 17 LEU CD1 C 13 21.418 0.3 . 1 . . . . A 17 LEU CD1 . 18792 1 101 . 1 1 17 17 LEU N N 15 116.312 0.3 . 1 . . . . A 17 LEU N . 18792 1 102 . 1 1 18 18 SER H H 1 8.384 0.020 . 1 . . . . A 18 SER H . 18792 1 103 . 1 1 18 18 SER C C 13 177.362 0.3 . 1 . . . . A 18 SER C . 18792 1 104 . 1 1 18 18 SER CA C 13 61.948 0.3 . 1 . . . . A 18 SER CA . 18792 1 105 . 1 1 18 18 SER CB C 13 63.003 0.3 . 1 . . . . A 18 SER CB . 18792 1 106 . 1 1 18 18 SER N N 15 113.715 0.3 . 1 . . . . A 18 SER N . 18792 1 107 . 1 1 19 19 TYR H H 1 8.155 0.020 . 1 . . . . A 19 TYR H . 18792 1 108 . 1 1 19 19 TYR C C 13 178.415 0.3 . 1 . . . . A 19 TYR C . 18792 1 109 . 1 1 19 19 TYR CA C 13 59.764 0.3 . 1 . . . . A 19 TYR CA . 18792 1 110 . 1 1 19 19 TYR CB C 13 37.016 0.3 . 1 . . . . A 19 TYR CB . 18792 1 111 . 1 1 19 19 TYR N N 15 124.570 0.3 . 1 . . . . A 19 TYR N . 18792 1 112 . 1 1 20 20 LYS H H 1 8.224 0.020 . 1 . . . . A 20 LYS H . 18792 1 113 . 1 1 20 20 LYS C C 13 180.456 0.3 . 1 . . . . A 20 LYS C . 18792 1 114 . 1 1 20 20 LYS CA C 13 56.488 0.3 . 1 . . . . A 20 LYS CA . 18792 1 115 . 1 1 20 20 LYS CB C 13 28.159 0.3 . 1 . . . . A 20 LYS CB . 18792 1 116 . 1 1 20 20 LYS N N 15 119.739 0.3 . 1 . . . . A 20 LYS N . 18792 1 117 . 1 1 21 21 LEU H H 1 8.586 0.020 . 1 . . . . A 21 LEU H . 18792 1 118 . 1 1 21 21 LEU HD11 H 1 0.759 0.020 . 1 . . . . A 21 LEU HD11 . 18792 1 119 . 1 1 21 21 LEU HD12 H 1 0.759 0.020 . 1 . . . . A 21 LEU HD12 . 18792 1 120 . 1 1 21 21 LEU HD13 H 1 0.759 0.020 . 1 . . . . A 21 LEU HD13 . 18792 1 121 . 1 1 21 21 LEU HD21 H 1 0.621 0.020 . 1 . . . . A 21 LEU HD21 . 18792 1 122 . 1 1 21 21 LEU HD22 H 1 0.621 0.020 . 1 . . . . A 21 LEU HD22 . 18792 1 123 . 1 1 21 21 LEU HD23 H 1 0.621 0.020 . 1 . . . . A 21 LEU HD23 . 18792 1 124 . 1 1 21 21 LEU C C 13 179.989 0.3 . 1 . . . . A 21 LEU C . 18792 1 125 . 1 1 21 21 LEU CA C 13 58.126 0.3 . 1 . . . . A 21 LEU CA . 18792 1 126 . 1 1 21 21 LEU CB C 13 39.608 0.3 . 1 . . . . A 21 LEU CB . 18792 1 127 . 1 1 21 21 LEU CD1 C 13 25.788 0.3 . 1 . . . . A 21 LEU CD1 . 18792 1 128 . 1 1 21 21 LEU CD2 C 13 25.733 0.3 . 1 . . . . A 21 LEU CD2 . 18792 1 129 . 1 1 21 21 LEU N N 15 118.092 0.3 . 1 . . . . A 21 LEU N . 18792 1 130 . 1 1 22 22 SER H H 1 8.266 0.020 . 1 . . . . A 22 SER H . 18792 1 131 . 1 1 22 22 SER C C 13 180.152 0.3 . 1 . . . . A 22 SER C . 18792 1 132 . 1 1 22 22 SER CA C 13 61.287 0.3 . 1 . . . . A 22 SER CA . 18792 1 133 . 1 1 22 22 SER N N 15 117.304 0.3 . 1 . . . . A 22 SER N . 18792 1 134 . 1 1 23 23 GLN H H 1 7.571 0.020 . 1 . . . . A 23 GLN H . 18792 1 135 . 1 1 23 23 GLN C C 13 177.297 0.3 . 1 . . . . A 23 GLN C . 18792 1 136 . 1 1 23 23 GLN CA C 13 57.942 0.3 . 1 . . . . A 23 GLN CA . 18792 1 137 . 1 1 23 23 GLN CB C 13 27.811 0.3 . 1 . . . . A 23 GLN CB . 18792 1 138 . 1 1 23 23 GLN N N 15 122.497 0.3 . 1 . . . . A 23 GLN N . 18792 1 139 . 1 1 24 24 LYS H H 1 7.134 0.020 . 1 . . . . A 24 LYS H . 18792 1 140 . 1 1 24 24 LYS C C 13 175.704 0.3 . 1 . . . . A 24 LYS C . 18792 1 141 . 1 1 24 24 LYS CA C 13 53.495 0.3 . 1 . . . . A 24 LYS CA . 18792 1 142 . 1 1 24 24 LYS CB C 13 31.229 0.3 . 1 . . . . A 24 LYS CB . 18792 1 143 . 1 1 24 24 LYS N N 15 116.038 0.3 . 1 . . . . A 24 LYS N . 18792 1 144 . 1 1 25 25 GLY H H 1 7.483 0.020 . 1 . . . . A 25 GLY H . 18792 1 145 . 1 1 25 25 GLY C C 13 174.013 0.3 . 1 . . . . A 25 GLY C . 18792 1 146 . 1 1 25 25 GLY CA C 13 44.779 0.3 . 1 . . . . A 25 GLY CA . 18792 1 147 . 1 1 25 25 GLY N N 15 105.283 0.3 . 1 . . . . A 25 GLY N . 18792 1 148 . 1 1 26 26 TYR H H 1 7.788 0.020 . 1 . . . . A 26 TYR H . 18792 1 149 . 1 1 26 26 TYR C C 13 175.122 0.3 . 1 . . . . A 26 TYR C . 18792 1 150 . 1 1 26 26 TYR CA C 13 55.132 0.3 . 1 . . . . A 26 TYR CA . 18792 1 151 . 1 1 26 26 TYR CB C 13 40.080 0.3 . 1 . . . . A 26 TYR CB . 18792 1 152 . 1 1 26 26 TYR N N 15 119.547 0.3 . 1 . . . . A 26 TYR N . 18792 1 153 . 1 1 27 27 SER H H 1 8.473 0.020 . 1 . . . . A 27 SER H . 18792 1 154 . 1 1 27 27 SER C C 13 174.452 0.3 . 1 . . . . A 27 SER C . 18792 1 155 . 1 1 27 27 SER CA C 13 56.306 0.3 . 1 . . . . A 27 SER CA . 18792 1 156 . 1 1 27 27 SER CB C 13 63.921 0.3 . 1 . . . . A 27 SER CB . 18792 1 157 . 1 1 27 27 SER N N 15 115.088 0.3 . 1 . . . . A 27 SER N . 18792 1 158 . 1 1 28 28 TRP H H 1 8.897 0.020 . 1 . . . . A 28 TRP H . 18792 1 159 . 1 1 28 28 TRP HE1 H 1 10.163 0.020 . 1 . . . . A 28 TRP HE1 . 18792 1 160 . 1 1 28 28 TRP C C 13 177.002 0.3 . 1 . . . . A 28 TRP C . 18792 1 161 . 1 1 28 28 TRP CA C 13 59.472 0.3 . 1 . . . . A 28 TRP CA . 18792 1 162 . 1 1 28 28 TRP CB C 13 29.830 0.3 . 1 . . . . A 28 TRP CB . 18792 1 163 . 1 1 28 28 TRP N N 15 127.014 0.3 . 1 . . . . A 28 TRP N . 18792 1 164 . 1 1 28 28 TRP NE1 N 15 128.373 0.3 . 1 . . . . A 28 TRP NE1 . 18792 1 165 . 1 1 29 29 SER H H 1 8.129 0.020 . 1 . . . . A 29 SER H . 18792 1 166 . 1 1 29 29 SER C C 13 175.106 0.3 . 1 . . . . A 29 SER C . 18792 1 167 . 1 1 29 29 SER CA C 13 59.472 0.3 . 1 . . . . A 29 SER CA . 18792 1 168 . 1 1 29 29 SER CB C 13 62.226 0.3 . 1 . . . . A 29 SER CB . 18792 1 169 . 1 1 29 29 SER N N 15 112.044 0.3 . 1 . . . . A 29 SER N . 18792 1 170 . 1 1 30 30 GLN H H 1 7.370 0.020 . 1 . . . . A 30 GLN H . 18792 1 171 . 1 1 30 30 GLN C C 13 176.218 0.3 . 1 . . . . A 30 GLN C . 18792 1 172 . 1 1 30 30 GLN CA C 13 56.412 0.3 . 1 . . . . A 30 GLN CA . 18792 1 173 . 1 1 30 30 GLN CB C 13 27.578 0.3 . 1 . . . . A 30 GLN CB . 18792 1 174 . 1 1 30 30 GLN N N 15 119.160 0.3 . 1 . . . . A 30 GLN N . 18792 1 175 . 1 1 31 31 PHE H H 1 7.248 0.020 . 1 . . . . A 31 PHE H . 18792 1 176 . 1 1 31 31 PHE C C 13 175.217 0.3 . 1 . . . . A 31 PHE C . 18792 1 177 . 1 1 31 31 PHE CA C 13 56.234 0.3 . 1 . . . . A 31 PHE CA . 18792 1 178 . 1 1 31 31 PHE CB C 13 39.066 0.3 . 1 . . . . A 31 PHE CB . 18792 1 179 . 1 1 31 31 PHE N N 15 116.277 0.3 . 1 . . . . A 31 PHE N . 18792 1 180 . 1 1 32 32 SER H H 1 7.242 0.020 . 1 . . . . A 32 SER H . 18792 1 181 . 1 1 32 32 SER C C 13 173.793 0.3 . 1 . . . . A 32 SER C . 18792 1 182 . 1 1 32 32 SER CA C 13 57.124 0.3 . 1 . . . . A 32 SER CA . 18792 1 183 . 1 1 32 32 SER CB C 13 63.081 0.3 . 1 . . . . A 32 SER CB . 18792 1 184 . 1 1 32 32 SER N N 15 113.683 0.3 . 1 . . . . A 32 SER N . 18792 1 185 . 1 1 33 33 ASP H H 1 8.257 0.020 . 1 . . . . A 33 ASP H . 18792 1 186 . 1 1 33 33 ASP C C 13 176.394 0.3 . 1 . . . . A 33 ASP C . 18792 1 187 . 1 1 33 33 ASP CA C 13 53.748 0.3 . 1 . . . . A 33 ASP CA . 18792 1 188 . 1 1 33 33 ASP CB C 13 40.398 0.3 . 1 . . . . A 33 ASP CB . 18792 1 189 . 1 1 33 33 ASP N N 15 122.195 0.3 . 1 . . . . A 33 ASP N . 18792 1 190 . 1 1 34 34 VAL H H 1 7.852 0.020 . 1 . . . . A 34 VAL H . 18792 1 191 . 1 1 34 34 VAL HG11 H 1 0.752 0.020 . 1 . . . . A 34 VAL HG11 . 18792 1 192 . 1 1 34 34 VAL HG12 H 1 0.752 0.020 . 1 . . . . A 34 VAL HG12 . 18792 1 193 . 1 1 34 34 VAL HG13 H 1 0.752 0.020 . 1 . . . . A 34 VAL HG13 . 18792 1 194 . 1 1 34 34 VAL HG21 H 1 0.745 0.020 . 1 . . . . A 34 VAL HG21 . 18792 1 195 . 1 1 34 34 VAL HG22 H 1 0.745 0.020 . 1 . . . . A 34 VAL HG22 . 18792 1 196 . 1 1 34 34 VAL HG23 H 1 0.745 0.020 . 1 . . . . A 34 VAL HG23 . 18792 1 197 . 1 1 34 34 VAL C C 13 176.328 0.3 . 1 . . . . A 34 VAL C . 18792 1 198 . 1 1 34 34 VAL CA C 13 61.891 0.3 . 1 . . . . A 34 VAL CA . 18792 1 199 . 1 1 34 34 VAL CB C 13 32.015 0.3 . 1 . . . . A 34 VAL CB . 18792 1 200 . 1 1 34 34 VAL CG1 C 13 19.974 0.3 . 1 . . . . A 34 VAL CG1 . 18792 1 201 . 1 1 34 34 VAL CG2 C 13 20.811 0.3 . 1 . . . . A 34 VAL CG2 . 18792 1 202 . 1 1 34 34 VAL N N 15 118.913 0.3 . 1 . . . . A 34 VAL N . 18792 1 203 . 1 1 35 35 GLU H H 1 8.401 0.020 . 1 . . . . A 35 GLU H . 18792 1 204 . 1 1 35 35 GLU C C 13 176.586 0.3 . 1 . . . . A 35 GLU C . 18792 1 205 . 1 1 35 35 GLU CA C 13 56.057 0.3 . 1 . . . . A 35 GLU CA . 18792 1 206 . 1 1 35 35 GLU CB C 13 28.898 0.3 . 1 . . . . A 35 GLU CB . 18792 1 207 . 1 1 35 35 GLU N N 15 124.205 0.3 . 1 . . . . A 35 GLU N . 18792 1 208 . 1 1 36 36 GLU H H 1 8.239 0.020 . 1 . . . . A 36 GLU H . 18792 1 209 . 1 1 36 36 GLU C C 13 176.218 0.3 . 1 . . . . A 36 GLU C . 18792 1 210 . 1 1 36 36 GLU CA C 13 55.988 0.3 . 1 . . . . A 36 GLU CA . 18792 1 211 . 1 1 36 36 GLU CB C 13 29.442 0.3 . 1 . . . . A 36 GLU CB . 18792 1 212 . 1 1 36 36 GLU N N 15 121.670 0.3 . 1 . . . . A 36 GLU N . 18792 1 213 . 1 1 37 37 ASN H H 1 8.412 0.020 . 1 . . . . A 37 ASN H . 18792 1 214 . 1 1 37 37 ASN C C 13 175.003 0.3 . 1 . . . . A 37 ASN C . 18792 1 215 . 1 1 37 37 ASN CA C 13 52.655 0.3 . 1 . . . . A 37 ASN CA . 18792 1 216 . 1 1 37 37 ASN CB C 13 38.212 0.3 . 1 . . . . A 37 ASN CB . 18792 1 217 . 1 1 37 37 ASN N N 15 119.252 0.3 . 1 . . . . A 37 ASN N . 18792 1 218 . 1 1 38 38 ARG H H 1 8.227 0.020 . 1 . . . . A 38 ARG H . 18792 1 219 . 1 1 38 38 ARG C C 13 176.610 0.3 . 1 . . . . A 38 ARG C . 18792 1 220 . 1 1 38 38 ARG CA C 13 55.364 0.3 . 1 . . . . A 38 ARG CA . 18792 1 221 . 1 1 38 38 ARG CB C 13 29.419 0.3 . 1 . . . . A 38 ARG CB . 18792 1 222 . 1 1 38 38 ARG N N 15 121.622 0.3 . 1 . . . . A 38 ARG N . 18792 1 223 . 1 1 39 39 THR H H 1 8.173 0.020 . 1 . . . . A 39 THR H . 18792 1 224 . 1 1 39 39 THR C C 13 174.500 0.3 . 1 . . . . A 39 THR C . 18792 1 225 . 1 1 39 39 THR CA C 13 61.606 0.3 . 1 . . . . A 39 THR CA . 18792 1 226 . 1 1 39 39 THR CB C 13 69.163 0.3 . 1 . . . . A 39 THR CB . 18792 1 227 . 1 1 39 39 THR N N 15 115.681 0.3 . 1 . . . . A 39 THR N . 18792 1 228 . 1 1 40 40 GLU H H 1 8.298 0.020 . 1 . . . . A 40 GLU H . 18792 1 229 . 1 1 40 40 GLU C C 13 175.728 0.3 . 1 . . . . A 40 GLU C . 18792 1 230 . 1 1 40 40 GLU CA C 13 55.772 0.3 . 1 . . . . A 40 GLU CA . 18792 1 231 . 1 1 40 40 GLU CB C 13 29.054 0.3 . 1 . . . . A 40 GLU CB . 18792 1 232 . 1 1 40 40 GLU N N 15 122.708 0.3 . 1 . . . . A 40 GLU N . 18792 1 233 . 1 1 41 41 ALA H H 1 8.212 0.020 . 1 . . . . A 41 ALA H . 18792 1 234 . 1 1 41 41 ALA C C 13 175.557 0.3 . 1 . . . . A 41 ALA C . 18792 1 235 . 1 1 41 41 ALA CA C 13 49.973 0.3 . 1 . . . . A 41 ALA CA . 18792 1 236 . 1 1 41 41 ALA CB C 13 17.245 0.3 . 1 . . . . A 41 ALA CB . 18792 1 237 . 1 1 41 41 ALA N N 15 125.922 0.3 . 1 . . . . A 41 ALA N . 18792 1 238 . 1 1 42 42 PRO N N 15 135.090 0.3 . 1 . . . . A 42 PRO N . 18792 1 239 . 1 1 43 43 GLU H H 1 8.519 0.020 . 1 . . . . A 43 GLU H . 18792 1 240 . 1 1 43 43 GLU C C 13 177.174 0.3 . 1 . . . . A 43 GLU C . 18792 1 241 . 1 1 43 43 GLU CA C 13 56.341 0.3 . 1 . . . . A 43 GLU CA . 18792 1 242 . 1 1 43 43 GLU CB C 13 29.287 0.3 . 1 . . . . A 43 GLU CB . 18792 1 243 . 1 1 43 43 GLU N N 15 120.783 0.3 . 1 . . . . A 43 GLU N . 18792 1 244 . 1 1 44 44 GLY H H 1 8.429 0.020 . 1 . . . . A 44 GLY H . 18792 1 245 . 1 1 44 44 GLY C C 13 174.773 0.3 . 1 . . . . A 44 GLY C . 18792 1 246 . 1 1 44 44 GLY CA C 13 45.028 0.3 . 1 . . . . A 44 GLY CA . 18792 1 247 . 1 1 44 44 GLY N N 15 110.022 0.3 . 1 . . . . A 44 GLY N . 18792 1 248 . 1 1 45 45 THR H H 1 8.125 0.020 . 1 . . . . A 45 THR H . 18792 1 249 . 1 1 45 45 THR C C 13 175.726 0.3 . 1 . . . . A 45 THR C . 18792 1 250 . 1 1 45 45 THR CA C 13 61.987 0.3 . 1 . . . . A 45 THR CA . 18792 1 251 . 1 1 45 45 THR CB C 13 69.304 0.3 . 1 . . . . A 45 THR CB . 18792 1 252 . 1 1 45 45 THR N N 15 112.790 0.3 . 1 . . . . A 45 THR N . 18792 1 253 . 1 1 46 46 GLU H H 1 8.765 0.020 . 1 . . . . A 46 GLU H . 18792 1 254 . 1 1 46 46 GLU C C 13 177.419 0.3 . 1 . . . . A 46 GLU C . 18792 1 255 . 1 1 46 46 GLU CA C 13 57.231 0.3 . 1 . . . . A 46 GLU CA . 18792 1 256 . 1 1 46 46 GLU CB C 13 28.199 0.3 . 1 . . . . A 46 GLU CB . 18792 1 257 . 1 1 46 46 GLU N N 15 122.752 0.3 . 1 . . . . A 46 GLU N . 18792 1 258 . 1 1 47 47 SER H H 1 8.355 0.020 . 1 . . . . A 47 SER H . 18792 1 259 . 1 1 47 47 SER C C 13 175.826 0.3 . 1 . . . . A 47 SER C . 18792 1 260 . 1 1 47 47 SER CA C 13 58.582 0.3 . 1 . . . . A 47 SER CA . 18792 1 261 . 1 1 47 47 SER CB C 13 62.537 0.3 . 1 . . . . A 47 SER CB . 18792 1 262 . 1 1 47 47 SER N N 15 114.895 0.3 . 1 . . . . A 47 SER N . 18792 1 263 . 1 1 48 48 GLU H H 1 8.139 0.020 . 1 . . . . A 48 GLU H . 18792 1 264 . 1 1 48 48 GLU C C 13 178.099 0.3 . 1 . . . . A 48 GLU C . 18792 1 265 . 1 1 48 48 GLU CA C 13 58.618 0.3 . 1 . . . . A 48 GLU CA . 18792 1 266 . 1 1 48 48 GLU CB C 13 28.475 0.3 . 1 . . . . A 48 GLU CB . 18792 1 267 . 1 1 48 48 GLU N N 15 122.429 0.3 . 1 . . . . A 48 GLU N . 18792 1 268 . 1 1 49 49 ALA H H 1 8.079 0.020 . 1 . . . . A 49 ALA H . 18792 1 269 . 1 1 49 49 ALA C C 13 180.843 0.3 . 1 . . . . A 49 ALA C . 18792 1 270 . 1 1 49 49 ALA CA C 13 54.483 0.3 . 1 . . . . A 49 ALA CA . 18792 1 271 . 1 1 49 49 ALA CB C 13 17.435 0.3 . 1 . . . . A 49 ALA CB . 18792 1 272 . 1 1 49 49 ALA N N 15 120.374 0.3 . 1 . . . . A 49 ALA N . 18792 1 273 . 1 1 50 50 VAL H H 1 7.419 0.020 . 1 . . . . A 50 VAL H . 18792 1 274 . 1 1 50 50 VAL HG11 H 1 0.881 0.020 . 1 . . . . A 50 VAL HG11 . 18792 1 275 . 1 1 50 50 VAL HG12 H 1 0.881 0.020 . 1 . . . . A 50 VAL HG12 . 18792 1 276 . 1 1 50 50 VAL HG13 H 1 0.881 0.020 . 1 . . . . A 50 VAL HG13 . 18792 1 277 . 1 1 50 50 VAL HG21 H 1 0.389 0.020 . 1 . . . . A 50 VAL HG21 . 18792 1 278 . 1 1 50 50 VAL HG22 H 1 0.389 0.020 . 1 . . . . A 50 VAL HG22 . 18792 1 279 . 1 1 50 50 VAL HG23 H 1 0.389 0.020 . 1 . . . . A 50 VAL HG23 . 18792 1 280 . 1 1 50 50 VAL C C 13 176.921 0.3 . 1 . . . . A 50 VAL C . 18792 1 281 . 1 1 50 50 VAL CA C 13 65.560 0.3 . 1 . . . . A 50 VAL CA . 18792 1 282 . 1 1 50 50 VAL CB C 13 30.297 0.3 . 1 . . . . A 50 VAL CB . 18792 1 283 . 1 1 50 50 VAL CG1 C 13 22.259 0.3 . 1 . . . . A 50 VAL CG1 . 18792 1 284 . 1 1 50 50 VAL CG2 C 13 21.865 0.3 . 1 . . . . A 50 VAL CG2 . 18792 1 285 . 1 1 50 50 VAL N N 15 118.599 0.3 . 1 . . . . A 50 VAL N . 18792 1 286 . 1 1 51 51 LYS H H 1 7.359 0.020 . 1 . . . . A 51 LYS H . 18792 1 287 . 1 1 51 51 LYS C C 13 179.061 0.3 . 1 . . . . A 51 LYS C . 18792 1 288 . 1 1 51 51 LYS CA C 13 59.223 0.3 . 1 . . . . A 51 LYS CA . 18792 1 289 . 1 1 51 51 LYS CB C 13 30.996 0.3 . 1 . . . . A 51 LYS CB . 18792 1 290 . 1 1 51 51 LYS N N 15 117.469 0.3 . 1 . . . . A 51 LYS N . 18792 1 291 . 1 1 52 52 GLN H H 1 8.025 0.020 . 1 . . . . A 52 GLN H . 18792 1 292 . 1 1 52 52 GLN C C 13 177.713 0.3 . 1 . . . . A 52 GLN C . 18792 1 293 . 1 1 52 52 GLN CA C 13 58.476 0.3 . 1 . . . . A 52 GLN CA . 18792 1 294 . 1 1 52 52 GLN CB C 13 26.568 0.3 . 1 . . . . A 52 GLN CB . 18792 1 295 . 1 1 52 52 GLN N N 15 115.930 0.3 . 1 . . . . A 52 GLN N . 18792 1 296 . 1 1 53 53 ALA H H 1 7.655 0.020 . 1 . . . . A 53 ALA H . 18792 1 297 . 1 1 53 53 ALA C C 13 180.008 0.3 . 1 . . . . A 53 ALA C . 18792 1 298 . 1 1 53 53 ALA CA C 13 54.385 0.3 . 1 . . . . A 53 ALA CA . 18792 1 299 . 1 1 53 53 ALA CB C 13 17.515 0.3 . 1 . . . . A 53 ALA CB . 18792 1 300 . 1 1 53 53 ALA N N 15 119.782 0.3 . 1 . . . . A 53 ALA N . 18792 1 301 . 1 1 54 54 LEU H H 1 8.419 0.020 . 1 . . . . A 54 LEU H . 18792 1 302 . 1 1 54 54 LEU HD11 H 1 -0.028 0.020 . 1 . . . . A 54 LEU HD11 . 18792 1 303 . 1 1 54 54 LEU HD12 H 1 -0.028 0.020 . 1 . . . . A 54 LEU HD12 . 18792 1 304 . 1 1 54 54 LEU HD13 H 1 -0.028 0.020 . 1 . . . . A 54 LEU HD13 . 18792 1 305 . 1 1 54 54 LEU HD21 H 1 -0.537 0.020 . 1 . . . . A 54 LEU HD21 . 18792 1 306 . 1 1 54 54 LEU HD22 H 1 -0.537 0.020 . 1 . . . . A 54 LEU HD22 . 18792 1 307 . 1 1 54 54 LEU HD23 H 1 -0.537 0.020 . 1 . . . . A 54 LEU HD23 . 18792 1 308 . 1 1 54 54 LEU C C 13 179.330 0.3 . 1 . . . . A 54 LEU C . 18792 1 309 . 1 1 54 54 LEU CA C 13 58.013 0.3 . 1 . . . . A 54 LEU CA . 18792 1 310 . 1 1 54 54 LEU CB C 13 40.862 0.3 . 1 . . . . A 54 LEU CB . 18792 1 311 . 1 1 54 54 LEU CD1 C 13 22.833 0.3 . 1 . . . . A 54 LEU CD1 . 18792 1 312 . 1 1 54 54 LEU CD2 C 13 22.728 0.3 . 1 . . . . A 54 LEU CD2 . 18792 1 313 . 1 1 54 54 LEU N N 15 120.443 0.3 . 1 . . . . A 54 LEU N . 18792 1 314 . 1 1 55 55 ARG H H 1 8.062 0.020 . 1 . . . . A 55 ARG H . 18792 1 315 . 1 1 55 55 ARG C C 13 178.767 0.3 . 1 . . . . A 55 ARG C . 18792 1 316 . 1 1 55 55 ARG CA C 13 60.397 0.3 . 1 . . . . A 55 ARG CA . 18792 1 317 . 1 1 55 55 ARG CB C 13 28.743 0.3 . 1 . . . . A 55 ARG CB . 18792 1 318 . 1 1 55 55 ARG N N 15 118.423 0.3 . 1 . . . . A 55 ARG N . 18792 1 319 . 1 1 56 56 GLU H H 1 7.772 0.020 . 1 . . . . A 56 GLU H . 18792 1 320 . 1 1 56 56 GLU C C 13 180.090 0.3 . 1 . . . . A 56 GLU C . 18792 1 321 . 1 1 56 56 GLU CA C 13 58.760 0.3 . 1 . . . . A 56 GLU CA . 18792 1 322 . 1 1 56 56 GLU CB C 13 28.354 0.3 . 1 . . . . A 56 GLU CB . 18792 1 323 . 1 1 56 56 GLU N N 15 115.988 0.3 . 1 . . . . A 56 GLU N . 18792 1 324 . 1 1 57 57 ALA H H 1 8.774 0.020 . 1 . . . . A 57 ALA H . 18792 1 325 . 1 1 57 57 ALA C C 13 181.861 0.3 . 1 . . . . A 57 ALA C . 18792 1 326 . 1 1 57 57 ALA CA C 13 54.634 0.3 . 1 . . . . A 57 ALA CA . 18792 1 327 . 1 1 57 57 ALA CB C 13 18.473 0.3 . 1 . . . . A 57 ALA CB . 18792 1 328 . 1 1 57 57 ALA N N 15 122.837 0.3 . 1 . . . . A 57 ALA N . 18792 1 329 . 1 1 58 58 GLY H H 1 9.073 0.020 . 1 . . . . A 58 GLY H . 18792 1 330 . 1 1 58 58 GLY C C 13 175.331 0.3 . 1 . . . . A 58 GLY C . 18792 1 331 . 1 1 58 58 GLY CA C 13 46.668 0.3 . 1 . . . . A 58 GLY CA . 18792 1 332 . 1 1 58 58 GLY N N 15 108.409 0.3 . 1 . . . . A 58 GLY N . 18792 1 333 . 1 1 59 59 ASP H H 1 8.049 0.020 . 1 . . . . A 59 ASP H . 18792 1 334 . 1 1 59 59 ASP C C 13 179.023 0.3 . 1 . . . . A 59 ASP C . 18792 1 335 . 1 1 59 59 ASP CA C 13 57.302 0.3 . 1 . . . . A 59 ASP CA . 18792 1 336 . 1 1 59 59 ASP CB C 13 38.842 0.3 . 1 . . . . A 59 ASP CB . 18792 1 337 . 1 1 59 59 ASP N N 15 122.074 0.3 . 1 . . . . A 59 ASP N . 18792 1 338 . 1 1 60 60 GLU H H 1 8.136 0.020 . 1 . . . . A 60 GLU H . 18792 1 339 . 1 1 60 60 GLU C C 13 178.522 0.3 . 1 . . . . A 60 GLU C . 18792 1 340 . 1 1 60 60 GLU CA C 13 59.009 0.3 . 1 . . . . A 60 GLU CA . 18792 1 341 . 1 1 60 60 GLU CB C 13 28.199 0.3 . 1 . . . . A 60 GLU CB . 18792 1 342 . 1 1 60 60 GLU N N 15 120.131 0.3 . 1 . . . . A 60 GLU N . 18792 1 343 . 1 1 61 61 PHE H H 1 8.523 0.020 . 1 . . . . A 61 PHE H . 18792 1 344 . 1 1 61 61 PHE C C 13 176.904 0.3 . 1 . . . . A 61 PHE C . 18792 1 345 . 1 1 61 61 PHE CA C 13 61.322 0.3 . 1 . . . . A 61 PHE CA . 18792 1 346 . 1 1 61 61 PHE CB C 13 38.609 0.3 . 1 . . . . A 61 PHE CB . 18792 1 347 . 1 1 61 61 PHE N N 15 121.309 0.3 . 1 . . . . A 61 PHE N . 18792 1 348 . 1 1 62 62 GLU H H 1 7.969 0.020 . 1 . . . . A 62 GLU H . 18792 1 349 . 1 1 62 62 GLU C C 13 177.713 0.3 . 1 . . . . A 62 GLU C . 18792 1 350 . 1 1 62 62 GLU CA C 13 58.191 0.3 . 1 . . . . A 62 GLU CA . 18792 1 351 . 1 1 62 62 GLU CB C 13 28.277 0.3 . 1 . . . . A 62 GLU CB . 18792 1 352 . 1 1 62 62 GLU N N 15 115.971 0.3 . 1 . . . . A 62 GLU N . 18792 1 353 . 1 1 63 63 LEU H H 1 7.347 0.020 . 1 . . . . A 63 LEU H . 18792 1 354 . 1 1 63 63 LEU HD11 H 1 0.744 0.020 . 1 . . . . A 63 LEU HD11 . 18792 1 355 . 1 1 63 63 LEU HD12 H 1 0.744 0.020 . 1 . . . . A 63 LEU HD12 . 18792 1 356 . 1 1 63 63 LEU HD13 H 1 0.744 0.020 . 1 . . . . A 63 LEU HD13 . 18792 1 357 . 1 1 63 63 LEU HD21 H 1 0.744 0.020 . 1 . . . . A 63 LEU HD21 . 18792 1 358 . 1 1 63 63 LEU HD22 H 1 0.744 0.020 . 1 . . . . A 63 LEU HD22 . 18792 1 359 . 1 1 63 63 LEU HD23 H 1 0.744 0.020 . 1 . . . . A 63 LEU HD23 . 18792 1 360 . 1 1 63 63 LEU C C 13 178.963 0.3 . 1 . . . . A 63 LEU C . 18792 1 361 . 1 1 63 63 LEU CA C 13 56.412 0.3 . 1 . . . . A 63 LEU CA . 18792 1 362 . 1 1 63 63 LEU CB C 13 41.406 0.3 . 1 . . . . A 63 LEU CB . 18792 1 363 . 1 1 63 63 LEU CD2 C 13 23.843 0.3 . 1 . . . . A 63 LEU CD2 . 18792 1 364 . 1 1 63 63 LEU N N 15 116.703 0.3 . 1 . . . . A 63 LEU N . 18792 1 365 . 1 1 64 64 ARG H H 1 7.995 0.020 . 1 . . . . A 64 ARG H . 18792 1 366 . 1 1 64 64 ARG C C 13 177.297 0.3 . 1 . . . . A 64 ARG C . 18792 1 367 . 1 1 64 64 ARG CA C 13 57.337 0.3 . 1 . . . . A 64 ARG CA . 18792 1 368 . 1 1 64 64 ARG CB C 13 29.597 0.3 . 1 . . . . A 64 ARG CB . 18792 1 369 . 1 1 64 64 ARG N N 15 117.453 0.3 . 1 . . . . A 64 ARG N . 18792 1 370 . 1 1 65 65 TYR H H 1 7.909 0.020 . 1 . . . . A 65 TYR H . 18792 1 371 . 1 1 65 65 TYR C C 13 175.278 0.3 . 1 . . . . A 65 TYR C . 18792 1 372 . 1 1 65 65 TYR CA C 13 55.701 0.3 . 1 . . . . A 65 TYR CA . 18792 1 373 . 1 1 65 65 TYR CB C 13 35.986 0.3 . 1 . . . . A 65 TYR CB . 18792 1 374 . 1 1 65 65 TYR N N 15 118.956 0.3 . 1 . . . . A 65 TYR N . 18792 1 375 . 1 1 66 66 ARG H H 1 7.244 0.020 . 1 . . . . A 66 ARG H . 18792 1 376 . 1 1 66 66 ARG C C 13 178.424 0.3 . 1 . . . . A 66 ARG C . 18792 1 377 . 1 1 66 66 ARG CA C 13 58.476 0.3 . 1 . . . . A 66 ARG CA . 18792 1 378 . 1 1 66 66 ARG CB C 13 28.821 0.3 . 1 . . . . A 66 ARG CB . 18792 1 379 . 1 1 66 66 ARG N N 15 119.438 0.3 . 1 . . . . A 66 ARG N . 18792 1 380 . 1 1 67 67 ARG H H 1 8.417 0.020 . 1 . . . . A 67 ARG H . 18792 1 381 . 1 1 67 67 ARG C C 13 177.542 0.3 . 1 . . . . A 67 ARG C . 18792 1 382 . 1 1 67 67 ARG CA C 13 57.444 0.3 . 1 . . . . A 67 ARG CA . 18792 1 383 . 1 1 67 67 ARG CB C 13 28.121 0.3 . 1 . . . . A 67 ARG CB . 18792 1 384 . 1 1 67 67 ARG N N 15 118.936 0.3 . 1 . . . . A 67 ARG N . 18792 1 385 . 1 1 68 68 ALA H H 1 7.827 0.020 . 1 . . . . A 68 ALA H . 18792 1 386 . 1 1 68 68 ALA C C 13 180.337 0.3 . 1 . . . . A 68 ALA C . 18792 1 387 . 1 1 68 68 ALA CA C 13 54.136 0.3 . 1 . . . . A 68 ALA CA . 18792 1 388 . 1 1 68 68 ALA CB C 13 17.467 0.3 . 1 . . . . A 68 ALA CB . 18792 1 389 . 1 1 68 68 ALA N N 15 121.797 0.3 . 1 . . . . A 68 ALA N . 18792 1 390 . 1 1 69 69 PHE H H 1 8.517 0.020 . 1 . . . . A 69 PHE H . 18792 1 391 . 1 1 69 69 PHE C C 13 177.468 0.3 . 1 . . . . A 69 PHE C . 18792 1 392 . 1 1 69 69 PHE CA C 13 58.049 0.3 . 1 . . . . A 69 PHE CA . 18792 1 393 . 1 1 69 69 PHE CB C 13 37.599 0.3 . 1 . . . . A 69 PHE CB . 18792 1 394 . 1 1 69 69 PHE N N 15 115.986 0.3 . 1 . . . . A 69 PHE N . 18792 1 395 . 1 1 70 70 SER H H 1 8.152 0.020 . 1 . . . . A 70 SER H . 18792 1 396 . 1 1 70 70 SER C C 13 177.640 0.3 . 1 . . . . A 70 SER C . 18792 1 397 . 1 1 70 70 SER CA C 13 61.073 0.3 . 1 . . . . A 70 SER CA . 18792 1 398 . 1 1 70 70 SER CB C 13 61.993 0.3 . 1 . . . . A 70 SER CB . 18792 1 399 . 1 1 70 70 SER N N 15 116.526 0.3 . 1 . . . . A 70 SER N . 18792 1 400 . 1 1 71 71 ASP H H 1 8.356 0.020 . 1 . . . . A 71 ASP H . 18792 1 401 . 1 1 71 71 ASP C C 13 178.546 0.3 . 1 . . . . A 71 ASP C . 18792 1 402 . 1 1 71 71 ASP CA C 13 56.448 0.3 . 1 . . . . A 71 ASP CA . 18792 1 403 . 1 1 71 71 ASP CB C 13 39.231 0.3 . 1 . . . . A 71 ASP CB . 18792 1 404 . 1 1 71 71 ASP N N 15 121.181 0.3 . 1 . . . . A 71 ASP N . 18792 1 405 . 1 1 72 72 LEU H H 1 7.738 0.020 . 1 . . . . A 72 LEU H . 18792 1 406 . 1 1 72 72 LEU HD11 H 1 0.476 0.020 . 1 . . . . A 72 LEU HD11 . 18792 1 407 . 1 1 72 72 LEU HD12 H 1 0.476 0.020 . 1 . . . . A 72 LEU HD12 . 18792 1 408 . 1 1 72 72 LEU HD13 H 1 0.476 0.020 . 1 . . . . A 72 LEU HD13 . 18792 1 409 . 1 1 72 72 LEU HD21 H 1 0.430 0.020 . 1 . . . . A 72 LEU HD21 . 18792 1 410 . 1 1 72 72 LEU HD22 H 1 0.430 0.020 . 1 . . . . A 72 LEU HD22 . 18792 1 411 . 1 1 72 72 LEU HD23 H 1 0.430 0.020 . 1 . . . . A 72 LEU HD23 . 18792 1 412 . 1 1 72 72 LEU C C 13 178.963 0.3 . 1 . . . . A 72 LEU C . 18792 1 413 . 1 1 72 72 LEU CA C 13 57.444 0.3 . 1 . . . . A 72 LEU CA . 18792 1 414 . 1 1 72 72 LEU CB C 13 41.017 0.3 . 1 . . . . A 72 LEU CB . 18792 1 415 . 1 1 72 72 LEU CD1 C 13 23.568 0.3 . 1 . . . . A 72 LEU CD1 . 18792 1 416 . 1 1 72 72 LEU CD2 C 13 23.948 0.3 . 1 . . . . A 72 LEU CD2 . 18792 1 417 . 1 1 72 72 LEU N N 15 120.747 0.3 . 1 . . . . A 72 LEU N . 18792 1 418 . 1 1 73 73 THR H H 1 8.296 0.020 . 1 . . . . A 73 THR H . 18792 1 419 . 1 1 73 73 THR C C 13 177.481 0.3 . 1 . . . . A 73 THR C . 18792 1 420 . 1 1 73 73 THR CA C 13 65.128 0.3 . 1 . . . . A 73 THR CA . 18792 1 421 . 1 1 73 73 THR CB C 13 67.720 0.3 . 1 . . . . A 73 THR CB . 18792 1 422 . 1 1 73 73 THR N N 15 109.432 0.3 . 1 . . . . A 73 THR N . 18792 1 423 . 1 1 74 74 SER H H 1 7.629 0.020 . 1 . . . . A 74 SER H . 18792 1 424 . 1 1 74 74 SER C C 13 175.361 0.3 . 1 . . . . A 74 SER C . 18792 1 425 . 1 1 74 74 SER CA C 13 60.112 0.3 . 1 . . . . A 74 SER CA . 18792 1 426 . 1 1 74 74 SER CB C 13 62.537 0.3 . 1 . . . . A 74 SER CB . 18792 1 427 . 1 1 74 74 SER N N 15 115.862 0.3 . 1 . . . . A 74 SER N . 18792 1 428 . 1 1 75 75 GLN H H 1 7.640 0.020 . 1 . . . . A 75 GLN H . 18792 1 429 . 1 1 75 75 GLN C C 13 176.316 0.3 . 1 . . . . A 75 GLN C . 18792 1 430 . 1 1 75 75 GLN CA C 13 56.804 0.3 . 1 . . . . A 75 GLN CA . 18792 1 431 . 1 1 75 75 GLN CB C 13 28.277 0.3 . 1 . . . . A 75 GLN CB . 18792 1 432 . 1 1 75 75 GLN N N 15 118.551 0.3 . 1 . . . . A 75 GLN N . 18792 1 433 . 1 1 76 76 LEU H H 1 7.411 0.020 . 1 . . . . A 76 LEU H . 18792 1 434 . 1 1 76 76 LEU HD11 H 1 0.782 0.020 . 1 . . . . A 76 LEU HD11 . 18792 1 435 . 1 1 76 76 LEU HD12 H 1 0.782 0.020 . 1 . . . . A 76 LEU HD12 . 18792 1 436 . 1 1 76 76 LEU HD13 H 1 0.782 0.020 . 1 . . . . A 76 LEU HD13 . 18792 1 437 . 1 1 76 76 LEU HD21 H 1 0.782 0.020 . 1 . . . . A 76 LEU HD21 . 18792 1 438 . 1 1 76 76 LEU HD22 H 1 0.782 0.020 . 1 . . . . A 76 LEU HD22 . 18792 1 439 . 1 1 76 76 LEU HD23 H 1 0.782 0.020 . 1 . . . . A 76 LEU HD23 . 18792 1 440 . 1 1 76 76 LEU C C 13 174.160 0.3 . 1 . . . . A 76 LEU C . 18792 1 441 . 1 1 76 76 LEU CA C 13 54.740 0.3 . 1 . . . . A 76 LEU CA . 18792 1 442 . 1 1 76 76 LEU CB C 13 42.727 0.3 . 1 . . . . A 76 LEU CB . 18792 1 443 . 1 1 76 76 LEU CD1 C 13 23.980 0.3 . 1 . . . . A 76 LEU CD1 . 18792 1 444 . 1 1 76 76 LEU N N 15 118.313 0.3 . 1 . . . . A 76 LEU N . 18792 1 445 . 1 1 77 77 HIS H H 1 8.117 0.020 . 1 . . . . A 77 HIS H . 18792 1 446 . 1 1 77 77 HIS C C 13 174.528 0.3 . 1 . . . . A 77 HIS C . 18792 1 447 . 1 1 77 77 HIS CA C 13 54.207 0.3 . 1 . . . . A 77 HIS CA . 18792 1 448 . 1 1 77 77 HIS CB C 13 27.966 0.3 . 1 . . . . A 77 HIS CB . 18792 1 449 . 1 1 77 77 HIS N N 15 120.104 0.3 . 1 . . . . A 77 HIS N . 18792 1 450 . 1 1 78 78 ILE H H 1 8.655 0.020 . 1 . . . . A 78 ILE H . 18792 1 451 . 1 1 78 78 ILE HD11 H 1 0.777 0.020 . 1 . . . . A 78 ILE HD11 . 18792 1 452 . 1 1 78 78 ILE HD12 H 1 0.777 0.020 . 1 . . . . A 78 ILE HD12 . 18792 1 453 . 1 1 78 78 ILE HD13 H 1 0.777 0.020 . 1 . . . . A 78 ILE HD13 . 18792 1 454 . 1 1 78 78 ILE C C 13 174.240 0.3 . 1 . . . . A 78 ILE C . 18792 1 455 . 1 1 78 78 ILE CA C 13 61.402 0.3 . 1 . . . . A 78 ILE CA . 18792 1 456 . 1 1 78 78 ILE CB C 13 37.591 0.3 . 1 . . . . A 78 ILE CB . 18792 1 457 . 1 1 78 78 ILE CG1 C 13 26.584 0.3 . 1 . . . . A 78 ILE CG1 . 18792 1 458 . 1 1 78 78 ILE CD1 C 13 13.587 0.3 . 1 . . . . A 78 ILE CD1 . 18792 1 459 . 1 1 78 78 ILE N N 15 122.298 0.3 . 1 . . . . A 78 ILE N . 18792 1 460 . 1 1 79 79 THR H H 1 8.245 0.020 . 1 . . . . A 79 THR H . 18792 1 461 . 1 1 79 79 THR C C 13 174.291 0.3 . 1 . . . . A 79 THR C . 18792 1 462 . 1 1 79 79 THR CA C 13 61.632 0.3 . 1 . . . . A 79 THR CA . 18792 1 463 . 1 1 79 79 THR CB C 13 68.704 0.3 . 1 . . . . A 79 THR CB . 18792 1 464 . 1 1 79 79 THR N N 15 116.442 0.3 . 1 . . . . A 79 THR N . 18792 1 465 . 1 1 84 84 TYR H H 1 8.733 0.020 . 1 . . . . A 84 TYR H . 18792 1 466 . 1 1 84 84 TYR C C 13 176.708 0.3 . 1 . . . . A 84 TYR C . 18792 1 467 . 1 1 84 84 TYR CA C 13 60.432 0.3 . 1 . . . . A 84 TYR CA . 18792 1 468 . 1 1 84 84 TYR CB C 13 36.745 0.3 . 1 . . . . A 84 TYR CB . 18792 1 469 . 1 1 84 84 TYR N N 15 120.888 0.3 . 1 . . . . A 84 TYR N . 18792 1 470 . 1 1 85 85 GLN H H 1 8.413 0.020 . 1 . . . . A 85 GLN H . 18792 1 471 . 1 1 85 85 GLN C C 13 178.473 0.3 . 1 . . . . A 85 GLN C . 18792 1 472 . 1 1 85 85 GLN CA C 13 59.294 0.3 . 1 . . . . A 85 GLN CA . 18792 1 473 . 1 1 85 85 GLN CB C 13 26.801 0.3 . 1 . . . . A 85 GLN CB . 18792 1 474 . 1 1 85 85 GLN N N 15 114.530 0.3 . 1 . . . . A 85 GLN N . 18792 1 475 . 1 1 86 86 SER H H 1 7.258 0.020 . 1 . . . . A 86 SER H . 18792 1 476 . 1 1 86 86 SER C C 13 178.473 0.3 . 1 . . . . A 86 SER C . 18792 1 477 . 1 1 86 86 SER CA C 13 62.175 0.3 . 1 . . . . A 86 SER CA . 18792 1 478 . 1 1 86 86 SER CB C 13 63.252 0.3 . 1 . . . . A 86 SER CB . 18792 1 479 . 1 1 86 86 SER N N 15 114.032 0.3 . 1 . . . . A 86 SER N . 18792 1 480 . 1 1 88 88 GLU H H 1 8.534 0.020 . 1 . . . . A 88 GLU H . 18792 1 481 . 1 1 88 88 GLU C C 13 177.199 0.3 . 1 . . . . A 88 GLU C . 18792 1 482 . 1 1 88 88 GLU CA C 13 58.582 0.3 . 1 . . . . A 88 GLU CA . 18792 1 483 . 1 1 88 88 GLU CB C 13 28.976 0.3 . 1 . . . . A 88 GLU CB . 18792 1 484 . 1 1 88 88 GLU N N 15 119.386 0.3 . 1 . . . . A 88 GLU N . 18792 1 485 . 1 1 89 89 GLN H H 1 7.500 0.020 . 1 . . . . A 89 GLN H . 18792 1 486 . 1 1 89 89 GLN C C 13 178.669 0.3 . 1 . . . . A 89 GLN C . 18792 1 487 . 1 1 89 89 GLN CA C 13 58.582 0.3 . 1 . . . . A 89 GLN CA . 18792 1 488 . 1 1 89 89 GLN CB C 13 27.422 0.3 . 1 . . . . A 89 GLN CB . 18792 1 489 . 1 1 89 89 GLN N N 15 114.678 0.3 . 1 . . . . A 89 GLN N . 18792 1 490 . 1 1 90 90 VAL H H 1 7.017 0.020 . 1 . . . . A 90 VAL H . 18792 1 491 . 1 1 90 90 VAL HG11 H 1 0.889 0.020 . 1 . . . . A 90 VAL HG11 . 18792 1 492 . 1 1 90 90 VAL HG12 H 1 0.889 0.020 . 1 . . . . A 90 VAL HG12 . 18792 1 493 . 1 1 90 90 VAL HG13 H 1 0.889 0.020 . 1 . . . . A 90 VAL HG13 . 18792 1 494 . 1 1 90 90 VAL HG21 H 1 0.852 0.020 . 1 . . . . A 90 VAL HG21 . 18792 1 495 . 1 1 90 90 VAL HG22 H 1 0.852 0.020 . 1 . . . . A 90 VAL HG22 . 18792 1 496 . 1 1 90 90 VAL HG23 H 1 0.852 0.020 . 1 . . . . A 90 VAL HG23 . 18792 1 497 . 1 1 90 90 VAL C C 13 178.081 0.3 . 1 . . . . A 90 VAL C . 18792 1 498 . 1 1 90 90 VAL CA C 13 65.555 0.3 . 1 . . . . A 90 VAL CA . 18792 1 499 . 1 1 90 90 VAL CB C 13 30.607 0.3 . 1 . . . . A 90 VAL CB . 18792 1 500 . 1 1 90 90 VAL CG1 C 13 22.472 0.3 . 1 . . . . A 90 VAL CG1 . 18792 1 501 . 1 1 90 90 VAL CG2 C 13 22.786 0.3 . 1 . . . . A 90 VAL CG2 . 18792 1 502 . 1 1 90 90 VAL N N 15 118.174 0.3 . 1 . . . . A 90 VAL N . 18792 1 503 . 1 1 91 91 VAL H H 1 7.833 0.020 . 1 . . . . A 91 VAL H . 18792 1 504 . 1 1 91 91 VAL HG11 H 1 0.007 0.020 . 1 . . . . A 91 VAL HG11 . 18792 1 505 . 1 1 91 91 VAL HG12 H 1 0.007 0.020 . 1 . . . . A 91 VAL HG12 . 18792 1 506 . 1 1 91 91 VAL HG13 H 1 0.007 0.020 . 1 . . . . A 91 VAL HG13 . 18792 1 507 . 1 1 91 91 VAL HG21 H 1 -0.175 0.020 . 1 . . . . A 91 VAL HG21 . 18792 1 508 . 1 1 91 91 VAL HG22 H 1 -0.175 0.020 . 1 . . . . A 91 VAL HG22 . 18792 1 509 . 1 1 91 91 VAL HG23 H 1 -0.175 0.020 . 1 . . . . A 91 VAL HG23 . 18792 1 510 . 1 1 91 91 VAL C C 13 177.914 0.3 . 1 . . . . A 91 VAL C . 18792 1 511 . 1 1 91 91 VAL CA C 13 65.769 0.3 . 1 . . . . A 91 VAL CA . 18792 1 512 . 1 1 91 91 VAL CB C 13 30.291 0.3 . 1 . . . . A 91 VAL CB . 18792 1 513 . 1 1 91 91 VAL CG1 C 13 19.628 0.3 . 1 . . . . A 91 VAL CG1 . 18792 1 514 . 1 1 91 91 VAL CG2 C 13 21.982 0.3 . 1 . . . . A 91 VAL CG2 . 18792 1 515 . 1 1 91 91 VAL N N 15 119.489 0.3 . 1 . . . . A 91 VAL N . 18792 1 516 . 1 1 92 92 ASN H H 1 8.368 0.020 . 1 . . . . A 92 ASN H . 18792 1 517 . 1 1 92 92 ASN C C 13 179.110 0.3 . 1 . . . . A 92 ASN C . 18792 1 518 . 1 1 92 92 ASN CA C 13 54.918 0.3 . 1 . . . . A 92 ASN CA . 18792 1 519 . 1 1 92 92 ASN CB C 13 35.968 0.3 . 1 . . . . A 92 ASN CB . 18792 1 520 . 1 1 92 92 ASN N N 15 117.180 0.3 . 1 . . . . A 92 ASN N . 18792 1 521 . 1 1 93 93 GLU H H 1 7.213 0.020 . 1 . . . . A 93 GLU H . 18792 1 522 . 1 1 93 93 GLU C C 13 179.355 0.3 . 1 . . . . A 93 GLU C . 18792 1 523 . 1 1 93 93 GLU CA C 13 58.405 0.3 . 1 . . . . A 93 GLU CA . 18792 1 524 . 1 1 93 93 GLU CB C 13 27.733 0.3 . 1 . . . . A 93 GLU CB . 18792 1 525 . 1 1 93 93 GLU N N 15 118.476 0.3 . 1 . . . . A 93 GLU N . 18792 1 526 . 1 1 94 94 LEU H H 1 7.446 0.020 . 1 . . . . A 94 LEU H . 18792 1 527 . 1 1 94 94 LEU HD11 H 1 0.335 0.020 . 1 . . . . A 94 LEU HD11 . 18792 1 528 . 1 1 94 94 LEU HD12 H 1 0.335 0.020 . 1 . . . . A 94 LEU HD12 . 18792 1 529 . 1 1 94 94 LEU HD13 H 1 0.335 0.020 . 1 . . . . A 94 LEU HD13 . 18792 1 530 . 1 1 94 94 LEU HD21 H 1 0.261 0.020 . 1 . . . . A 94 LEU HD21 . 18792 1 531 . 1 1 94 94 LEU HD22 H 1 0.261 0.020 . 1 . . . . A 94 LEU HD22 . 18792 1 532 . 1 1 94 94 LEU HD23 H 1 0.261 0.020 . 1 . . . . A 94 LEU HD23 . 18792 1 533 . 1 1 94 94 LEU C C 13 178.473 0.3 . 1 . . . . A 94 LEU C . 18792 1 534 . 1 1 94 94 LEU CA C 13 57.017 0.3 . 1 . . . . A 94 LEU CA . 18792 1 535 . 1 1 94 94 LEU CB C 13 39.930 0.3 . 1 . . . . A 94 LEU CB . 18792 1 536 . 1 1 94 94 LEU CD1 C 13 23.626 0.3 . 1 . . . . A 94 LEU CD1 . 18792 1 537 . 1 1 94 94 LEU CD2 C 13 23.426 0.3 . 1 . . . . A 94 LEU CD2 . 18792 1 538 . 1 1 94 94 LEU N N 15 120.889 0.3 . 1 . . . . A 94 LEU N . 18792 1 539 . 1 1 95 95 PHE H H 1 6.916 0.020 . 1 . . . . A 95 PHE H . 18792 1 540 . 1 1 95 95 PHE C C 13 176.586 0.3 . 1 . . . . A 95 PHE C . 18792 1 541 . 1 1 95 95 PHE CA C 13 57.159 0.3 . 1 . . . . A 95 PHE CA . 18792 1 542 . 1 1 95 95 PHE CB C 13 38.221 0.3 . 1 . . . . A 95 PHE CB . 18792 1 543 . 1 1 95 95 PHE N N 15 112.902 0.3 . 1 . . . . A 95 PHE N . 18792 1 544 . 1 1 96 96 ARG H H 1 7.126 0.020 . 1 . . . . A 96 ARG H . 18792 1 545 . 1 1 96 96 ARG C C 13 177.272 0.3 . 1 . . . . A 96 ARG C . 18792 1 546 . 1 1 96 96 ARG CA C 13 59.223 0.3 . 1 . . . . A 96 ARG CA . 18792 1 547 . 1 1 96 96 ARG CB C 13 28.432 0.3 . 1 . . . . A 96 ARG CB . 18792 1 548 . 1 1 96 96 ARG N N 15 123.729 0.3 . 1 . . . . A 96 ARG N . 18792 1 549 . 1 1 97 97 ASP H H 1 8.644 0.020 . 1 . . . . A 97 ASP H . 18792 1 550 . 1 1 97 97 ASP C C 13 175.687 0.3 . 1 . . . . A 97 ASP C . 18792 1 551 . 1 1 97 97 ASP CA C 13 53.673 0.3 . 1 . . . . A 97 ASP CA . 18792 1 552 . 1 1 97 97 ASP CB C 13 40.045 0.3 . 1 . . . . A 97 ASP CB . 18792 1 553 . 1 1 97 97 ASP N N 15 116.576 0.3 . 1 . . . . A 97 ASP N . 18792 1 554 . 1 1 98 98 GLY H H 1 7.463 0.020 . 1 . . . . A 98 GLY H . 18792 1 555 . 1 1 98 98 GLY C C 13 172.690 0.3 . 1 . . . . A 98 GLY C . 18792 1 556 . 1 1 98 98 GLY CA C 13 43.250 0.3 . 1 . . . . A 98 GLY CA . 18792 1 557 . 1 1 98 98 GLY N N 15 108.551 0.3 . 1 . . . . A 98 GLY N . 18792 1 558 . 1 1 99 99 VAL H H 1 8.184 0.020 . 1 . . . . A 99 VAL H . 18792 1 559 . 1 1 99 99 VAL HG11 H 1 0.201 0.020 . 1 . . . . A 99 VAL HG11 . 18792 1 560 . 1 1 99 99 VAL HG12 H 1 0.201 0.020 . 1 . . . . A 99 VAL HG12 . 18792 1 561 . 1 1 99 99 VAL HG13 H 1 0.201 0.020 . 1 . . . . A 99 VAL HG13 . 18792 1 562 . 1 1 99 99 VAL HG21 H 1 -0.818 0.020 . 1 . . . . A 99 VAL HG21 . 18792 1 563 . 1 1 99 99 VAL HG22 H 1 -0.818 0.020 . 1 . . . . A 99 VAL HG22 . 18792 1 564 . 1 1 99 99 VAL HG23 H 1 -0.818 0.020 . 1 . . . . A 99 VAL HG23 . 18792 1 565 . 1 1 99 99 VAL C C 13 174.503 0.3 . 1 . . . . A 99 VAL C . 18792 1 566 . 1 1 99 99 VAL CA C 13 62.318 0.3 . 1 . . . . A 99 VAL CA . 18792 1 567 . 1 1 99 99 VAL CB C 13 30.763 0.3 . 1 . . . . A 99 VAL CB . 18792 1 568 . 1 1 99 99 VAL CG1 C 13 20.462 0.3 . 1 . . . . A 99 VAL CG1 . 18792 1 569 . 1 1 99 99 VAL CG2 C 13 22.374 0.3 . 1 . . . . A 99 VAL CG2 . 18792 1 570 . 1 1 99 99 VAL N N 15 120.630 0.3 . 1 . . . . A 99 VAL N . 18792 1 571 . 1 1 100 100 ASN H H 1 6.241 0.020 . 1 . . . . A 100 ASN H . 18792 1 572 . 1 1 100 100 ASN C C 13 175.239 0.3 . 1 . . . . A 100 ASN C . 18792 1 573 . 1 1 100 100 ASN CA C 13 51.361 0.3 . 1 . . . . A 100 ASN CA . 18792 1 574 . 1 1 100 100 ASN CB C 13 38.920 0.3 . 1 . . . . A 100 ASN CB . 18792 1 575 . 1 1 100 100 ASN N N 15 115.485 0.3 . 1 . . . . A 100 ASN N . 18792 1 576 . 1 1 101 101 TRP H H 1 8.409 0.020 . 1 . . . . A 101 TRP H . 18792 1 577 . 1 1 101 101 TRP HE1 H 1 9.377 0.020 . 1 . . . . A 101 TRP HE1 . 18792 1 578 . 1 1 101 101 TRP C C 13 178.301 0.3 . 1 . . . . A 101 TRP C . 18792 1 579 . 1 1 101 101 TRP CA C 13 60.539 0.3 . 1 . . . . A 101 TRP CA . 18792 1 580 . 1 1 101 101 TRP CB C 13 29.830 0.3 . 1 . . . . A 101 TRP CB . 18792 1 581 . 1 1 101 101 TRP N N 15 118.266 0.3 . 1 . . . . A 101 TRP N . 18792 1 582 . 1 1 101 101 TRP NE1 N 15 129.052 0.3 . 1 . . . . A 101 TRP NE1 . 18792 1 583 . 1 1 102 102 GLY H H 1 8.504 0.020 . 1 . . . . A 102 GLY H . 18792 1 584 . 1 1 102 102 GLY C C 13 177.640 0.3 . 1 . . . . A 102 GLY C . 18792 1 585 . 1 1 102 102 GLY CA C 13 46.914 0.3 . 1 . . . . A 102 GLY CA . 18792 1 586 . 1 1 102 102 GLY N N 15 106.147 0.3 . 1 . . . . A 102 GLY N . 18792 1 587 . 1 1 103 103 ARG H H 1 8.099 0.020 . 1 . . . . A 103 ARG H . 18792 1 588 . 1 1 103 103 ARG C C 13 177.738 0.3 . 1 . . . . A 103 ARG C . 18792 1 589 . 1 1 103 103 ARG CA C 13 57.942 0.3 . 1 . . . . A 103 ARG CA . 18792 1 590 . 1 1 103 103 ARG CB C 13 30.219 0.3 . 1 . . . . A 103 ARG CB . 18792 1 591 . 1 1 103 103 ARG N N 15 121.347 0.3 . 1 . . . . A 103 ARG N . 18792 1 592 . 1 1 104 104 ILE H H 1 7.690 0.020 . 1 . . . . A 104 ILE H . 18792 1 593 . 1 1 104 104 ILE HD11 H 1 0.145 0.020 . 1 . . . . A 104 ILE HD11 . 18792 1 594 . 1 1 104 104 ILE HD12 H 1 0.145 0.020 . 1 . . . . A 104 ILE HD12 . 18792 1 595 . 1 1 104 104 ILE HD13 H 1 0.145 0.020 . 1 . . . . A 104 ILE HD13 . 18792 1 596 . 1 1 104 104 ILE C C 13 178.197 0.3 . 1 . . . . A 104 ILE C . 18792 1 597 . 1 1 104 104 ILE CA C 13 66.535 0.3 . 1 . . . . A 104 ILE CA . 18792 1 598 . 1 1 104 104 ILE CB C 13 36.045 0.3 . 1 . . . . A 104 ILE CB . 18792 1 599 . 1 1 104 104 ILE CG1 C 13 29.172 0.3 . 1 . . . . A 104 ILE CG1 . 18792 1 600 . 1 1 104 104 ILE CD1 C 13 13.473 0.3 . 1 . . . . A 104 ILE CD1 . 18792 1 601 . 1 1 104 104 ILE N N 15 120.930 0.3 . 1 . . . . A 104 ILE N . 18792 1 602 . 1 1 105 105 VAL H H 1 8.245 0.020 . 1 . . . . A 105 VAL H . 18792 1 603 . 1 1 105 105 VAL HG11 H 1 0.959 0.020 . 1 . . . . A 105 VAL HG11 . 18792 1 604 . 1 1 105 105 VAL HG12 H 1 0.959 0.020 . 1 . . . . A 105 VAL HG12 . 18792 1 605 . 1 1 105 105 VAL HG13 H 1 0.959 0.020 . 1 . . . . A 105 VAL HG13 . 18792 1 606 . 1 1 105 105 VAL HG21 H 1 0.689 0.020 . 1 . . . . A 105 VAL HG21 . 18792 1 607 . 1 1 105 105 VAL HG22 H 1 0.689 0.020 . 1 . . . . A 105 VAL HG22 . 18792 1 608 . 1 1 105 105 VAL HG23 H 1 0.689 0.020 . 1 . . . . A 105 VAL HG23 . 18792 1 609 . 1 1 105 105 VAL C C 13 177.854 0.3 . 1 . . . . A 105 VAL C . 18792 1 610 . 1 1 105 105 VAL CA C 13 67.458 0.3 . 1 . . . . A 105 VAL CA . 18792 1 611 . 1 1 105 105 VAL CB C 13 30.374 0.3 . 1 . . . . A 105 VAL CB . 18792 1 612 . 1 1 105 105 VAL CG1 C 13 23.119 0.3 . 1 . . . . A 105 VAL CG1 . 18792 1 613 . 1 1 105 105 VAL CG2 C 13 22.955 0.3 . 1 . . . . A 105 VAL CG2 . 18792 1 614 . 1 1 105 105 VAL N N 15 120.938 0.3 . 1 . . . . A 105 VAL N . 18792 1 615 . 1 1 106 106 ALA H H 1 7.529 0.020 . 1 . . . . A 106 ALA H . 18792 1 616 . 1 1 106 106 ALA C C 13 178.284 0.3 . 1 . . . . A 106 ALA C . 18792 1 617 . 1 1 106 106 ALA CA C 13 54.598 0.3 . 1 . . . . A 106 ALA CA . 18792 1 618 . 1 1 106 106 ALA CB C 13 17.515 0.3 . 1 . . . . A 106 ALA CB . 18792 1 619 . 1 1 106 106 ALA N N 15 121.165 0.3 . 1 . . . . A 106 ALA N . 18792 1 620 . 1 1 107 107 PHE H H 1 7.974 0.020 . 1 . . . . A 107 PHE H . 18792 1 621 . 1 1 107 107 PHE C C 13 176.390 0.3 . 1 . . . . A 107 PHE C . 18792 1 622 . 1 1 107 107 PHE CA C 13 60.173 0.3 . 1 . . . . A 107 PHE CA . 18792 1 623 . 1 1 107 107 PHE CB C 13 37.087 0.3 . 1 . . . . A 107 PHE CB . 18792 1 624 . 1 1 107 107 PHE N N 15 119.242 0.3 . 1 . . . . A 107 PHE N . 18792 1 625 . 1 1 108 108 PHE H H 1 7.946 0.020 . 1 . . . . A 108 PHE H . 18792 1 626 . 1 1 108 108 PHE C C 13 177.640 0.3 . 1 . . . . A 108 PHE C . 18792 1 627 . 1 1 108 108 PHE CA C 13 62.424 0.3 . 1 . . . . A 108 PHE CA . 18792 1 628 . 1 1 108 108 PHE CB C 13 35.346 0.3 . 1 . . . . A 108 PHE CB . 18792 1 629 . 1 1 108 108 PHE N N 15 120.009 0.3 . 1 . . . . A 108 PHE N . 18792 1 630 . 1 1 109 109 SER H H 1 8.424 0.020 . 1 . . . . A 109 SER H . 18792 1 631 . 1 1 109 109 SER C C 13 177.770 0.3 . 1 . . . . A 109 SER C . 18792 1 632 . 1 1 109 109 SER CA C 13 63.349 0.3 . 1 . . . . A 109 SER CA . 18792 1 633 . 1 1 109 109 SER N N 15 114.631 0.3 . 1 . . . . A 109 SER N . 18792 1 634 . 1 1 110 110 PHE H H 1 9.052 0.020 . 1 . . . . A 110 PHE H . 18792 1 635 . 1 1 110 110 PHE C C 13 176.708 0.3 . 1 . . . . A 110 PHE C . 18792 1 636 . 1 1 110 110 PHE CA C 13 59.614 0.3 . 1 . . . . A 110 PHE CA . 18792 1 637 . 1 1 110 110 PHE CB C 13 37.444 0.3 . 1 . . . . A 110 PHE CB . 18792 1 638 . 1 1 110 110 PHE N N 15 124.230 0.3 . 1 . . . . A 110 PHE N . 18792 1 639 . 1 1 111 111 GLY H H 1 7.926 0.020 . 1 . . . . A 111 GLY H . 18792 1 640 . 1 1 111 111 GLY C C 13 176.795 0.3 . 1 . . . . A 111 GLY C . 18792 1 641 . 1 1 111 111 GLY CA C 13 47.376 0.3 . 1 . . . . A 111 GLY CA . 18792 1 642 . 1 1 111 111 GLY N N 15 105.893 0.3 . 1 . . . . A 111 GLY N . 18792 1 643 . 1 1 112 112 GLY H H 1 8.799 0.020 . 1 . . . . A 112 GLY H . 18792 1 644 . 1 1 112 112 GLY C C 13 174.650 0.3 . 1 . . . . A 112 GLY C . 18792 1 645 . 1 1 112 112 GLY CA C 13 47.305 0.3 . 1 . . . . A 112 GLY CA . 18792 1 646 . 1 1 112 112 GLY N N 15 107.410 0.3 . 1 . . . . A 112 GLY N . 18792 1 647 . 1 1 113 113 ALA H H 1 8.212 0.020 . 1 . . . . A 113 ALA H . 18792 1 648 . 1 1 113 113 ALA C C 13 181.300 0.3 . 1 . . . . A 113 ALA C . 18792 1 649 . 1 1 113 113 ALA CA C 13 54.527 0.3 . 1 . . . . A 113 ALA CA . 18792 1 650 . 1 1 113 113 ALA CB C 13 17.483 0.3 . 1 . . . . A 113 ALA CB . 18792 1 651 . 1 1 113 113 ALA N N 15 124.313 0.3 . 1 . . . . A 113 ALA N . 18792 1 652 . 1 1 114 114 LEU H H 1 8.161 0.020 . 1 . . . . A 114 LEU H . 18792 1 653 . 1 1 114 114 LEU HD11 H 1 0.699 0.020 . 1 . . . . A 114 LEU HD11 . 18792 1 654 . 1 1 114 114 LEU HD12 H 1 0.699 0.020 . 1 . . . . A 114 LEU HD12 . 18792 1 655 . 1 1 114 114 LEU HD13 H 1 0.699 0.020 . 1 . . . . A 114 LEU HD13 . 18792 1 656 . 1 1 114 114 LEU HD21 H 1 0.654 0.020 . 1 . . . . A 114 LEU HD21 . 18792 1 657 . 1 1 114 114 LEU HD22 H 1 0.654 0.020 . 1 . . . . A 114 LEU HD22 . 18792 1 658 . 1 1 114 114 LEU HD23 H 1 0.654 0.020 . 1 . . . . A 114 LEU HD23 . 18792 1 659 . 1 1 114 114 LEU C C 13 180.286 0.3 . 1 . . . . A 114 LEU C . 18792 1 660 . 1 1 114 114 LEU CA C 13 56.982 0.3 . 1 . . . . A 114 LEU CA . 18792 1 661 . 1 1 114 114 LEU CB C 13 41.017 0.3 . 1 . . . . A 114 LEU CB . 18792 1 662 . 1 1 114 114 LEU CD1 C 13 22.638 0.3 . 1 . . . . A 114 LEU CD1 . 18792 1 663 . 1 1 114 114 LEU CD2 C 13 23.031 0.3 . 1 . . . . A 114 LEU CD2 . 18792 1 664 . 1 1 114 114 LEU N N 15 118.878 0.3 . 1 . . . . A 114 LEU N . 18792 1 665 . 1 1 115 115 CYS H H 1 8.070 0.020 . 1 . . . . A 115 CYS H . 18792 1 666 . 1 1 115 115 CYS C C 13 176.087 0.3 . 1 . . . . A 115 CYS C . 18792 1 667 . 1 1 115 115 CYS CA C 13 63.944 0.3 . 1 . . . . A 115 CYS CA . 18792 1 668 . 1 1 115 115 CYS CB C 13 25.635 0.3 . 1 . . . . A 115 CYS CB . 18792 1 669 . 1 1 115 115 CYS N N 15 119.002 0.3 . 1 . . . . A 115 CYS N . 18792 1 670 . 1 1 116 116 VAL H H 1 7.995 0.020 . 1 . . . . A 116 VAL H . 18792 1 671 . 1 1 116 116 VAL HG11 H 1 0.895 0.020 . 1 . . . . A 116 VAL HG11 . 18792 1 672 . 1 1 116 116 VAL HG12 H 1 0.895 0.020 . 1 . . . . A 116 VAL HG12 . 18792 1 673 . 1 1 116 116 VAL HG13 H 1 0.895 0.020 . 1 . . . . A 116 VAL HG13 . 18792 1 674 . 1 1 116 116 VAL HG21 H 1 0.895 0.020 . 1 . . . . A 116 VAL HG21 . 18792 1 675 . 1 1 116 116 VAL HG22 H 1 0.895 0.020 . 1 . . . . A 116 VAL HG22 . 18792 1 676 . 1 1 116 116 VAL HG23 H 1 0.895 0.020 . 1 . . . . A 116 VAL HG23 . 18792 1 677 . 1 1 116 116 VAL C C 13 177.494 0.3 . 1 . . . . A 116 VAL C . 18792 1 678 . 1 1 116 116 VAL CA C 13 66.762 0.3 . 1 . . . . A 116 VAL CA . 18792 1 679 . 1 1 116 116 VAL CB C 13 30.763 0.3 . 1 . . . . A 116 VAL CB . 18792 1 680 . 1 1 116 116 VAL CG1 C 13 21.663 0.3 . 1 . . . . A 116 VAL CG1 . 18792 1 681 . 1 1 116 116 VAL N N 15 118.737 0.3 . 1 . . . . A 116 VAL N . 18792 1 682 . 1 1 117 117 GLU H H 1 8.059 0.020 . 1 . . . . A 117 GLU H . 18792 1 683 . 1 1 117 117 GLU C C 13 178.424 0.3 . 1 . . . . A 117 GLU C . 18792 1 684 . 1 1 117 117 GLU CA C 13 58.760 0.3 . 1 . . . . A 117 GLU CA . 18792 1 685 . 1 1 117 117 GLU CB C 13 28.054 0.3 . 1 . . . . A 117 GLU CB . 18792 1 686 . 1 1 117 117 GLU N N 15 118.886 0.3 . 1 . . . . A 117 GLU N . 18792 1 687 . 1 1 118 118 SER H H 1 7.626 0.020 . 1 . . . . A 118 SER H . 18792 1 688 . 1 1 118 118 SER C C 13 175.607 0.3 . 1 . . . . A 118 SER C . 18792 1 689 . 1 1 118 118 SER CA C 13 62.638 0.3 . 1 . . . . A 118 SER CA . 18792 1 690 . 1 1 118 118 SER CB C 13 61.061 0.3 . 1 . . . . A 118 SER CB . 18792 1 691 . 1 1 118 118 SER N N 15 113.417 0.3 . 1 . . . . A 118 SER N . 18792 1 692 . 1 1 119 119 VAL H H 1 7.297 0.020 . 1 . . . . A 119 VAL H . 18792 1 693 . 1 1 119 119 VAL HG11 H 1 0.192 0.020 . 1 . . . . A 119 VAL HG11 . 18792 1 694 . 1 1 119 119 VAL HG12 H 1 0.192 0.020 . 1 . . . . A 119 VAL HG12 . 18792 1 695 . 1 1 119 119 VAL HG13 H 1 0.192 0.020 . 1 . . . . A 119 VAL HG13 . 18792 1 696 . 1 1 119 119 VAL HG21 H 1 -0.038 0.020 . 1 . . . . A 119 VAL HG21 . 18792 1 697 . 1 1 119 119 VAL HG22 H 1 -0.038 0.020 . 1 . . . . A 119 VAL HG22 . 18792 1 698 . 1 1 119 119 VAL HG23 H 1 -0.038 0.020 . 1 . . . . A 119 VAL HG23 . 18792 1 699 . 1 1 119 119 VAL C C 13 179.713 0.3 . 1 . . . . A 119 VAL C . 18792 1 700 . 1 1 119 119 VAL CA C 13 66.225 0.3 . 1 . . . . A 119 VAL CA . 18792 1 701 . 1 1 119 119 VAL CB C 13 30.079 0.3 . 1 . . . . A 119 VAL CB . 18792 1 702 . 1 1 119 119 VAL CG1 C 13 22.179 0.3 . 1 . . . . A 119 VAL CG1 . 18792 1 703 . 1 1 119 119 VAL CG2 C 13 20.735 0.3 . 1 . . . . A 119 VAL CG2 . 18792 1 704 . 1 1 119 119 VAL N N 15 120.612 0.3 . 1 . . . . A 119 VAL N . 18792 1 705 . 1 1 120 120 ASP H H 1 8.264 0.020 . 1 . . . . A 120 ASP H . 18792 1 706 . 1 1 120 120 ASP C C 13 178.057 0.3 . 1 . . . . A 120 ASP C . 18792 1 707 . 1 1 120 120 ASP CA C 13 56.989 0.3 . 1 . . . . A 120 ASP CA . 18792 1 708 . 1 1 120 120 ASP CB C 13 39.923 0.3 . 1 . . . . A 120 ASP CB . 18792 1 709 . 1 1 120 120 ASP N N 15 122.546 0.3 . 1 . . . . A 120 ASP N . 18792 1 710 . 1 1 121 121 LYS H H 1 7.558 0.020 . 1 . . . . A 121 LYS H . 18792 1 711 . 1 1 121 121 LYS C C 13 175.159 0.3 . 1 . . . . A 121 LYS C . 18792 1 712 . 1 1 121 121 LYS CA C 13 55.260 0.3 . 1 . . . . A 121 LYS CA . 18792 1 713 . 1 1 121 121 LYS CB C 13 30.775 0.3 . 1 . . . . A 121 LYS CB . 18792 1 714 . 1 1 121 121 LYS N N 15 115.636 0.3 . 1 . . . . A 121 LYS N . 18792 1 715 . 1 1 122 122 GLU H H 1 7.826 0.020 . 1 . . . . A 122 GLU H . 18792 1 716 . 1 1 122 122 GLU C C 13 176.109 0.3 . 1 . . . . A 122 GLU C . 18792 1 717 . 1 1 122 122 GLU CA C 13 57.307 0.3 . 1 . . . . A 122 GLU CA . 18792 1 718 . 1 1 122 122 GLU CB C 13 25.332 0.3 . 1 . . . . A 122 GLU CB . 18792 1 719 . 1 1 122 122 GLU N N 15 113.915 0.3 . 1 . . . . A 122 GLU N . 18792 1 720 . 1 1 124 124 GLN H H 1 8.626 0.020 . 1 . . . . A 124 GLN H . 18792 1 721 . 1 1 124 124 GLN C C 13 177.640 0.3 . 1 . . . . A 124 GLN C . 18792 1 722 . 1 1 124 124 GLN CA C 13 59.472 0.3 . 1 . . . . A 124 GLN CA . 18792 1 723 . 1 1 124 124 GLN CB C 13 26.490 0.3 . 1 . . . . A 124 GLN CB . 18792 1 724 . 1 1 124 124 GLN N N 15 119.233 0.3 . 1 . . . . A 124 GLN N . 18792 1 725 . 1 1 125 125 VAL H H 1 7.870 0.020 . 1 . . . . A 125 VAL H . 18792 1 726 . 1 1 125 125 VAL HG11 H 1 0.793 0.020 . 1 . . . . A 125 VAL HG11 . 18792 1 727 . 1 1 125 125 VAL HG12 H 1 0.793 0.020 . 1 . . . . A 125 VAL HG12 . 18792 1 728 . 1 1 125 125 VAL HG13 H 1 0.793 0.020 . 1 . . . . A 125 VAL HG13 . 18792 1 729 . 1 1 125 125 VAL HG21 H 1 0.731 0.020 . 1 . . . . A 125 VAL HG21 . 18792 1 730 . 1 1 125 125 VAL HG22 H 1 0.731 0.020 . 1 . . . . A 125 VAL HG22 . 18792 1 731 . 1 1 125 125 VAL HG23 H 1 0.731 0.020 . 1 . . . . A 125 VAL HG23 . 18792 1 732 . 1 1 125 125 VAL C C 13 175.826 0.3 . 1 . . . . A 125 VAL C . 18792 1 733 . 1 1 125 125 VAL CA C 13 63.136 0.3 . 1 . . . . A 125 VAL CA . 18792 1 734 . 1 1 125 125 VAL CB C 13 30.297 0.3 . 1 . . . . A 125 VAL CB . 18792 1 735 . 1 1 125 125 VAL CG1 C 13 19.833 0.3 . 1 . . . . A 125 VAL CG1 . 18792 1 736 . 1 1 125 125 VAL CG2 C 13 19.515 0.3 . 1 . . . . A 125 VAL CG2 . 18792 1 737 . 1 1 125 125 VAL N N 15 117.011 0.3 . 1 . . . . A 125 VAL N . 18792 1 738 . 1 1 126 126 LEU H H 1 7.747 0.020 . 1 . . . . A 126 LEU H . 18792 1 739 . 1 1 126 126 LEU HD11 H 1 0.600 0.020 . 1 . . . . A 126 LEU HD11 . 18792 1 740 . 1 1 126 126 LEU HD12 H 1 0.600 0.020 . 1 . . . . A 126 LEU HD12 . 18792 1 741 . 1 1 126 126 LEU HD13 H 1 0.600 0.020 . 1 . . . . A 126 LEU HD13 . 18792 1 742 . 1 1 126 126 LEU HD21 H 1 0.524 0.020 . 1 . . . . A 126 LEU HD21 . 18792 1 743 . 1 1 126 126 LEU HD22 H 1 0.524 0.020 . 1 . . . . A 126 LEU HD22 . 18792 1 744 . 1 1 126 126 LEU HD23 H 1 0.524 0.020 . 1 . . . . A 126 LEU HD23 . 18792 1 745 . 1 1 126 126 LEU C C 13 178.096 0.3 . 1 . . . . A 126 LEU C . 18792 1 746 . 1 1 126 126 LEU CA C 13 55.085 0.3 . 1 . . . . A 126 LEU CA . 18792 1 747 . 1 1 126 126 LEU CB C 13 40.273 0.3 . 1 . . . . A 126 LEU CB . 18792 1 748 . 1 1 126 126 LEU CD1 C 13 23.401 0.3 . 1 . . . . A 126 LEU CD1 . 18792 1 749 . 1 1 126 126 LEU CD2 C 13 22.199 0.3 . 1 . . . . A 126 LEU CD2 . 18792 1 750 . 1 1 126 126 LEU N N 15 117.058 0.3 . 1 . . . . A 126 LEU N . 18792 1 751 . 1 1 127 127 VAL H H 1 7.306 0.020 . 1 . . . . A 127 VAL H . 18792 1 752 . 1 1 127 127 VAL HG11 H 1 0.294 0.020 . 1 . . . . A 127 VAL HG11 . 18792 1 753 . 1 1 127 127 VAL HG12 H 1 0.294 0.020 . 1 . . . . A 127 VAL HG12 . 18792 1 754 . 1 1 127 127 VAL HG13 H 1 0.294 0.020 . 1 . . . . A 127 VAL HG13 . 18792 1 755 . 1 1 127 127 VAL HG21 H 1 0.224 0.020 . 1 . . . . A 127 VAL HG21 . 18792 1 756 . 1 1 127 127 VAL HG22 H 1 0.224 0.020 . 1 . . . . A 127 VAL HG22 . 18792 1 757 . 1 1 127 127 VAL HG23 H 1 0.224 0.020 . 1 . . . . A 127 VAL HG23 . 18792 1 758 . 1 1 127 127 VAL C C 13 177.150 0.3 . 1 . . . . A 127 VAL C . 18792 1 759 . 1 1 127 127 VAL CA C 13 67.156 0.3 . 1 . . . . A 127 VAL CA . 18792 1 760 . 1 1 127 127 VAL CB C 13 29.753 0.3 . 1 . . . . A 127 VAL CB . 18792 1 761 . 1 1 127 127 VAL CG1 C 13 22.610 0.3 . 1 . . . . A 127 VAL CG1 . 18792 1 762 . 1 1 127 127 VAL CG2 C 13 21.129 0.3 . 1 . . . . A 127 VAL CG2 . 18792 1 763 . 1 1 127 127 VAL N N 15 119.457 0.3 . 1 . . . . A 127 VAL N . 18792 1 764 . 1 1 128 128 SER H H 1 8.237 0.020 . 1 . . . . A 128 SER H . 18792 1 765 . 1 1 128 128 SER C C 13 177.222 0.3 . 1 . . . . A 128 SER C . 18792 1 766 . 1 1 128 128 SER CA C 13 60.752 0.3 . 1 . . . . A 128 SER CA . 18792 1 767 . 1 1 128 128 SER CB C 13 61.605 0.3 . 1 . . . . A 128 SER CB . 18792 1 768 . 1 1 128 128 SER N N 15 110.647 0.3 . 1 . . . . A 128 SER N . 18792 1 769 . 1 1 129 129 ARG H H 1 6.564 0.020 . 1 . . . . A 129 ARG H . 18792 1 770 . 1 1 129 129 ARG C C 13 175.802 0.3 . 1 . . . . A 129 ARG C . 18792 1 771 . 1 1 129 129 ARG CA C 13 58.227 0.3 . 1 . . . . A 129 ARG CA . 18792 1 772 . 1 1 129 129 ARG CB C 13 28.199 0.3 . 1 . . . . A 129 ARG CB . 18792 1 773 . 1 1 129 129 ARG N N 15 123.100 0.3 . 1 . . . . A 129 ARG N . 18792 1 774 . 1 1 130 130 ILE H H 1 7.955 0.020 . 1 . . . . A 130 ILE H . 18792 1 775 . 1 1 130 130 ILE HD11 H 1 0.370 0.020 . 1 . . . . A 130 ILE HD11 . 18792 1 776 . 1 1 130 130 ILE HD12 H 1 0.370 0.020 . 1 . . . . A 130 ILE HD12 . 18792 1 777 . 1 1 130 130 ILE HD13 H 1 0.370 0.020 . 1 . . . . A 130 ILE HD13 . 18792 1 778 . 1 1 130 130 ILE C C 13 178.156 0.3 . 1 . . . . A 130 ILE C . 18792 1 779 . 1 1 130 130 ILE CA C 13 64.346 0.3 . 1 . . . . A 130 ILE CA . 18792 1 780 . 1 1 130 130 ILE CB C 13 36.682 0.3 . 1 . . . . A 130 ILE CB . 18792 1 781 . 1 1 130 130 ILE CG1 C 13 28.327 0.3 . 1 . . . . A 130 ILE CG1 . 18792 1 782 . 1 1 130 130 ILE CD1 C 13 13.964 0.3 . 1 . . . . A 130 ILE CD1 . 18792 1 783 . 1 1 130 130 ILE N N 15 118.182 0.3 . 1 . . . . A 130 ILE N . 18792 1 784 . 1 1 131 131 ALA H H 1 7.582 0.020 . 1 . . . . A 131 ALA H . 18792 1 785 . 1 1 131 131 ALA C C 13 179.593 0.3 . 1 . . . . A 131 ALA C . 18792 1 786 . 1 1 131 131 ALA CA C 13 54.598 0.3 . 1 . . . . A 131 ALA CA . 18792 1 787 . 1 1 131 131 ALA CB C 13 17.388 0.3 . 1 . . . . A 131 ALA CB . 18792 1 788 . 1 1 131 131 ALA N N 15 119.029 0.3 . 1 . . . . A 131 ALA N . 18792 1 789 . 1 1 132 132 ALA H H 1 7.224 0.020 . 1 . . . . A 132 ALA H . 18792 1 790 . 1 1 132 132 ALA C C 13 181.095 0.3 . 1 . . . . A 132 ALA C . 18792 1 791 . 1 1 132 132 ALA CA C 13 54.598 0.3 . 1 . . . . A 132 ALA CA . 18792 1 792 . 1 1 132 132 ALA CB C 13 16.701 0.3 . 1 . . . . A 132 ALA CB . 18792 1 793 . 1 1 132 132 ALA N N 15 120.336 0.3 . 1 . . . . A 132 ALA N . 18792 1 794 . 1 1 133 133 TRP H H 1 8.925 0.020 . 1 . . . . A 133 TRP H . 18792 1 795 . 1 1 133 133 TRP HE1 H 1 10.018 0.020 . 1 . . . . A 133 TRP HE1 . 18792 1 796 . 1 1 133 133 TRP C C 13 179.698 0.3 . 1 . . . . A 133 TRP C . 18792 1 797 . 1 1 133 133 TRP CA C 13 57.302 0.3 . 1 . . . . A 133 TRP CA . 18792 1 798 . 1 1 133 133 TRP CB C 13 27.655 0.3 . 1 . . . . A 133 TRP CB . 18792 1 799 . 1 1 133 133 TRP N N 15 121.194 0.3 . 1 . . . . A 133 TRP N . 18792 1 800 . 1 1 133 133 TRP NE1 N 15 126.300 0.3 . 1 . . . . A 133 TRP NE1 . 18792 1 801 . 1 1 134 134 MET H H 1 8.863 0.020 . 1 . . . . A 134 MET H . 18792 1 802 . 1 1 134 134 MET C C 13 178.277 0.3 . 1 . . . . A 134 MET C . 18792 1 803 . 1 1 134 134 MET CA C 13 59.578 0.3 . 1 . . . . A 134 MET CA . 18792 1 804 . 1 1 134 134 MET CB C 13 33.559 0.3 . 1 . . . . A 134 MET CB . 18792 1 805 . 1 1 134 134 MET N N 15 116.987 0.3 . 1 . . . . A 134 MET N . 18792 1 806 . 1 1 135 135 ALA H H 1 8.152 0.020 . 1 . . . . A 135 ALA H . 18792 1 807 . 1 1 135 135 ALA C C 13 179.298 0.3 . 1 . . . . A 135 ALA C . 18792 1 808 . 1 1 135 135 ALA CA C 13 55.433 0.3 . 1 . . . . A 135 ALA CA . 18792 1 809 . 1 1 135 135 ALA CB C 13 16.637 0.3 . 1 . . . . A 135 ALA CB . 18792 1 810 . 1 1 135 135 ALA N N 15 120.523 0.3 . 1 . . . . A 135 ALA N . 18792 1 811 . 1 1 136 136 THR H H 1 8.532 0.020 . 1 . . . . A 136 THR H . 18792 1 812 . 1 1 136 136 THR C C 13 175.106 0.3 . 1 . . . . A 136 THR C . 18792 1 813 . 1 1 136 136 THR CA C 13 66.729 0.3 . 1 . . . . A 136 THR CA . 18792 1 814 . 1 1 136 136 THR CB C 13 68.441 0.3 . 1 . . . . A 136 THR CB . 18792 1 815 . 1 1 136 136 THR N N 15 116.715 0.3 . 1 . . . . A 136 THR N . 18792 1 816 . 1 1 137 137 TYR H H 1 8.809 0.020 . 1 . . . . A 137 TYR H . 18792 1 817 . 1 1 137 137 TYR C C 13 179.592 0.3 . 1 . . . . A 137 TYR C . 18792 1 818 . 1 1 137 137 TYR CA C 13 63.065 0.3 . 1 . . . . A 137 TYR CA . 18792 1 819 . 1 1 137 137 TYR CB C 13 37.988 0.3 . 1 . . . . A 137 TYR CB . 18792 1 820 . 1 1 137 137 TYR N N 15 123.204 0.3 . 1 . . . . A 137 TYR N . 18792 1 821 . 1 1 138 138 LEU H H 1 8.742 0.020 . 1 . . . . A 138 LEU H . 18792 1 822 . 1 1 138 138 LEU HD11 H 1 1.012 0.020 . 1 . . . . A 138 LEU HD11 . 18792 1 823 . 1 1 138 138 LEU HD12 H 1 1.012 0.020 . 1 . . . . A 138 LEU HD12 . 18792 1 824 . 1 1 138 138 LEU HD13 H 1 1.012 0.020 . 1 . . . . A 138 LEU HD13 . 18792 1 825 . 1 1 138 138 LEU HD21 H 1 1.000 0.020 . 1 . . . . A 138 LEU HD21 . 18792 1 826 . 1 1 138 138 LEU HD22 H 1 1.000 0.020 . 1 . . . . A 138 LEU HD22 . 18792 1 827 . 1 1 138 138 LEU HD23 H 1 1.000 0.020 . 1 . . . . A 138 LEU HD23 . 18792 1 828 . 1 1 138 138 LEU C C 13 178.385 0.3 . 1 . . . . A 138 LEU C . 18792 1 829 . 1 1 138 138 LEU CA C 13 58.938 0.3 . 1 . . . . A 138 LEU CA . 18792 1 830 . 1 1 138 138 LEU CB C 13 41.708 0.3 . 1 . . . . A 138 LEU CB . 18792 1 831 . 1 1 138 138 LEU CD1 C 13 25.503 0.3 . 1 . . . . A 138 LEU CD1 . 18792 1 832 . 1 1 138 138 LEU CD2 C 13 25.781 0.3 . 1 . . . . A 138 LEU CD2 . 18792 1 833 . 1 1 138 138 LEU N N 15 119.247 0.3 . 1 . . . . A 138 LEU N . 18792 1 834 . 1 1 139 139 ASN H H 1 8.307 0.020 . 1 . . . . A 139 ASN H . 18792 1 835 . 1 1 139 139 ASN C C 13 176.417 0.3 . 1 . . . . A 139 ASN C . 18792 1 836 . 1 1 139 139 ASN CA C 13 56.448 0.3 . 1 . . . . A 139 ASN CA . 18792 1 837 . 1 1 139 139 ASN CB C 13 38.652 0.3 . 1 . . . . A 139 ASN CB . 18792 1 838 . 1 1 139 139 ASN N N 15 117.122 0.3 . 1 . . . . A 139 ASN N . 18792 1 839 . 1 1 140 140 ASP H H 1 8.439 0.020 . 1 . . . . A 140 ASP H . 18792 1 840 . 1 1 140 140 ASP C C 13 177.919 0.3 . 1 . . . . A 140 ASP C . 18792 1 841 . 1 1 140 140 ASP CA C 13 55.953 0.3 . 1 . . . . A 140 ASP CA . 18792 1 842 . 1 1 140 140 ASP CB C 13 39.386 0.3 . 1 . . . . A 140 ASP CB . 18792 1 843 . 1 1 140 140 ASP N N 15 115.394 0.3 . 1 . . . . A 140 ASP N . 18792 1 844 . 1 1 141 141 HIS H H 1 8.043 0.020 . 1 . . . . A 141 HIS H . 18792 1 845 . 1 1 141 141 HIS C C 13 175.949 0.3 . 1 . . . . A 141 HIS C . 18792 1 846 . 1 1 141 141 HIS CA C 13 56.057 0.3 . 1 . . . . A 141 HIS CA . 18792 1 847 . 1 1 141 141 HIS CB C 13 29.908 0.3 . 1 . . . . A 141 HIS CB . 18792 1 848 . 1 1 141 141 HIS N N 15 111.695 0.3 . 1 . . . . A 141 HIS N . 18792 1 849 . 1 1 142 142 LEU H H 1 7.198 0.020 . 1 . . . . A 142 LEU H . 18792 1 850 . 1 1 142 142 LEU HD11 H 1 0.117 0.020 . 1 . . . . A 142 LEU HD11 . 18792 1 851 . 1 1 142 142 LEU HD12 H 1 0.117 0.020 . 1 . . . . A 142 LEU HD12 . 18792 1 852 . 1 1 142 142 LEU HD13 H 1 0.117 0.020 . 1 . . . . A 142 LEU HD13 . 18792 1 853 . 1 1 142 142 LEU HD21 H 1 -0.392 0.020 . 1 . . . . A 142 LEU HD21 . 18792 1 854 . 1 1 142 142 LEU HD22 H 1 -0.392 0.020 . 1 . . . . A 142 LEU HD22 . 18792 1 855 . 1 1 142 142 LEU HD23 H 1 -0.392 0.020 . 1 . . . . A 142 LEU HD23 . 18792 1 856 . 1 1 142 142 LEU C C 13 176.530 0.3 . 1 . . . . A 142 LEU C . 18792 1 857 . 1 1 142 142 LEU CA C 13 55.309 0.3 . 1 . . . . A 142 LEU CA . 18792 1 858 . 1 1 142 142 LEU CB C 13 42.338 0.3 . 1 . . . . A 142 LEU CB . 18792 1 859 . 1 1 142 142 LEU CD1 C 13 24.152 0.3 . 1 . . . . A 142 LEU CD1 . 18792 1 860 . 1 1 142 142 LEU CD2 C 13 21.355 0.3 . 1 . . . . A 142 LEU CD2 . 18792 1 861 . 1 1 142 142 LEU N N 15 117.054 0.3 . 1 . . . . A 142 LEU N . 18792 1 862 . 1 1 143 143 GLU H H 1 8.565 0.020 . 1 . . . . A 143 GLU H . 18792 1 863 . 1 1 143 143 GLU C C 13 173.964 0.3 . 1 . . . . A 143 GLU C . 18792 1 864 . 1 1 143 143 GLU CA C 13 60.254 0.3 . 1 . . . . A 143 GLU CA . 18792 1 865 . 1 1 143 143 GLU CB C 13 26.257 0.3 . 1 . . . . A 143 GLU CB . 18792 1 866 . 1 1 143 143 GLU N N 15 121.335 0.3 . 1 . . . . A 143 GLU N . 18792 1 867 . 1 1 144 144 PRO N N 15 134.541 0.3 . 1 . . . . A 144 PRO N . 18792 1 868 . 1 1 145 145 TRP H H 1 7.078 0.020 . 1 . . . . A 145 TRP H . 18792 1 869 . 1 1 145 145 TRP HE1 H 1 9.938 0.020 . 1 . . . . A 145 TRP HE1 . 18792 1 870 . 1 1 145 145 TRP C C 13 179.526 0.3 . 1 . . . . A 145 TRP C . 18792 1 871 . 1 1 145 145 TRP CA C 13 61.606 0.3 . 1 . . . . A 145 TRP CA . 18792 1 872 . 1 1 145 145 TRP CB C 13 27.888 0.3 . 1 . . . . A 145 TRP CB . 18792 1 873 . 1 1 145 145 TRP N N 15 117.973 0.3 . 1 . . . . A 145 TRP N . 18792 1 874 . 1 1 145 145 TRP NE1 N 15 128.528 0.3 . 1 . . . . A 145 TRP NE1 . 18792 1 875 . 1 1 146 146 ILE H H 1 8.389 0.020 . 1 . . . . A 146 ILE H . 18792 1 876 . 1 1 146 146 ILE HD11 H 1 0.446 0.020 . 1 . . . . A 146 ILE HD11 . 18792 1 877 . 1 1 146 146 ILE HD12 H 1 0.446 0.020 . 1 . . . . A 146 ILE HD12 . 18792 1 878 . 1 1 146 146 ILE HD13 H 1 0.446 0.020 . 1 . . . . A 146 ILE HD13 . 18792 1 879 . 1 1 146 146 ILE C C 13 179.110 0.3 . 1 . . . . A 146 ILE C . 18792 1 880 . 1 1 146 146 ILE CA C 13 65.334 0.3 . 1 . . . . A 146 ILE CA . 18792 1 881 . 1 1 146 146 ILE CB C 13 36.822 0.3 . 1 . . . . A 146 ILE CB . 18792 1 882 . 1 1 146 146 ILE CG1 C 13 27.324 0.3 . 1 . . . . A 146 ILE CG1 . 18792 1 883 . 1 1 146 146 ILE CD1 C 13 13.208 0.3 . 1 . . . . A 146 ILE CD1 . 18792 1 884 . 1 1 146 146 ILE N N 15 122.101 0.3 . 1 . . . . A 146 ILE N . 18792 1 885 . 1 1 147 147 GLN H H 1 8.376 0.020 . 1 . . . . A 147 GLN H . 18792 1 886 . 1 1 147 147 GLN C C 13 179.526 0.3 . 1 . . . . A 147 GLN C . 18792 1 887 . 1 1 147 147 GLN CA C 13 58.013 0.3 . 1 . . . . A 147 GLN CA . 18792 1 888 . 1 1 147 147 GLN CB C 13 26.723 0.3 . 1 . . . . A 147 GLN CB . 18792 1 889 . 1 1 147 147 GLN N N 15 116.344 0.3 . 1 . . . . A 147 GLN N . 18792 1 890 . 1 1 148 148 GLU H H 1 7.504 0.020 . 1 . . . . A 148 GLU H . 18792 1 891 . 1 1 148 148 GLU C C 13 176.880 0.3 . 1 . . . . A 148 GLU C . 18792 1 892 . 1 1 148 148 GLU CA C 13 57.373 0.3 . 1 . . . . A 148 GLU CA . 18792 1 893 . 1 1 148 148 GLU CB C 13 28.432 0.3 . 1 . . . . A 148 GLU CB . 18792 1 894 . 1 1 148 148 GLU N N 15 118.913 0.3 . 1 . . . . A 148 GLU N . 18792 1 895 . 1 1 149 149 ASN H H 1 7.070 0.020 . 1 . . . . A 149 ASN H . 18792 1 896 . 1 1 149 149 ASN C C 13 173.964 0.3 . 1 . . . . A 149 ASN C . 18792 1 897 . 1 1 149 149 ASN CA C 13 53.246 0.3 . 1 . . . . A 149 ASN CA . 18792 1 898 . 1 1 149 149 ASN CB C 13 37.133 0.3 . 1 . . . . A 149 ASN CB . 18792 1 899 . 1 1 149 149 ASN N N 15 116.616 0.3 . 1 . . . . A 149 ASN N . 18792 1 900 . 1 1 150 150 GLY H H 1 7.313 0.020 . 1 . . . . A 150 GLY H . 18792 1 901 . 1 1 150 150 GLY C C 13 176.022 0.3 . 1 . . . . A 150 GLY C . 18792 1 902 . 1 1 150 150 GLY CA C 13 45.242 0.3 . 1 . . . . A 150 GLY CA . 18792 1 903 . 1 1 150 150 GLY N N 15 104.750 0.3 . 1 . . . . A 150 GLY N . 18792 1 904 . 1 1 151 151 GLY H H 1 8.452 0.020 . 1 . . . . A 151 GLY H . 18792 1 905 . 1 1 151 151 GLY C C 13 173.449 0.3 . 1 . . . . A 151 GLY C . 18792 1 906 . 1 1 151 151 GLY CA C 13 44.032 0.3 . 1 . . . . A 151 GLY CA . 18792 1 907 . 1 1 151 151 GLY N N 15 108.385 0.3 . 1 . . . . A 151 GLY N . 18792 1 908 . 1 1 152 152 TRP H H 1 8.644 0.020 . 1 . . . . A 152 TRP H . 18792 1 909 . 1 1 152 152 TRP HE1 H 1 10.476 0.020 . 1 . . . . A 152 TRP HE1 . 18792 1 910 . 1 1 152 152 TRP C C 13 178.571 0.3 . 1 . . . . A 152 TRP C . 18792 1 911 . 1 1 152 152 TRP CA C 13 60.077 0.3 . 1 . . . . A 152 TRP CA . 18792 1 912 . 1 1 152 152 TRP CB C 13 28.588 0.3 . 1 . . . . A 152 TRP CB . 18792 1 913 . 1 1 152 152 TRP N N 15 118.092 0.3 . 1 . . . . A 152 TRP N . 18792 1 914 . 1 1 152 152 TRP NE1 N 15 128.742 0.3 . 1 . . . . A 152 TRP NE1 . 18792 1 915 . 1 1 153 153 ASP H H 1 8.827 0.020 . 1 . . . . A 153 ASP H . 18792 1 916 . 1 1 153 153 ASP C C 13 179.796 0.3 . 1 . . . . A 153 ASP C . 18792 1 917 . 1 1 153 153 ASP CA C 13 57.302 0.3 . 1 . . . . A 153 ASP CA . 18792 1 918 . 1 1 153 153 ASP CB C 13 39.231 0.3 . 1 . . . . A 153 ASP CB . 18792 1 919 . 1 1 153 153 ASP N N 15 117.758 0.3 . 1 . . . . A 153 ASP N . 18792 1 920 . 1 1 154 154 THR H H 1 7.494 0.020 . 1 . . . . A 154 THR H . 18792 1 921 . 1 1 154 154 THR C C 13 175.352 0.3 . 1 . . . . A 154 THR C . 18792 1 922 . 1 1 154 154 THR CA C 13 65.910 0.3 . 1 . . . . A 154 THR CA . 18792 1 923 . 1 1 154 154 THR CB C 13 67.712 0.3 . 1 . . . . A 154 THR CB . 18792 1 924 . 1 1 154 154 THR N N 15 116.817 0.3 . 1 . . . . A 154 THR N . 18792 1 925 . 1 1 155 155 PHE H H 1 6.477 0.020 . 1 . . . . A 155 PHE H . 18792 1 926 . 1 1 155 155 PHE C C 13 176.831 0.3 . 1 . . . . A 155 PHE C . 18792 1 927 . 1 1 155 155 PHE CA C 13 61.286 0.3 . 1 . . . . A 155 PHE CA . 18792 1 928 . 1 1 155 155 PHE CB C 13 36.667 0.3 . 1 . . . . A 155 PHE CB . 18792 1 929 . 1 1 155 155 PHE N N 15 122.196 0.3 . 1 . . . . A 155 PHE N . 18792 1 930 . 1 1 156 156 VAL H H 1 7.788 0.020 . 1 . . . . A 156 VAL H . 18792 1 931 . 1 1 156 156 VAL HG11 H 1 0.986 0.020 . 1 . . . . A 156 VAL HG11 . 18792 1 932 . 1 1 156 156 VAL HG12 H 1 0.986 0.020 . 1 . . . . A 156 VAL HG12 . 18792 1 933 . 1 1 156 156 VAL HG13 H 1 0.986 0.020 . 1 . . . . A 156 VAL HG13 . 18792 1 934 . 1 1 156 156 VAL HG21 H 1 0.747 0.020 . 1 . . . . A 156 VAL HG21 . 18792 1 935 . 1 1 156 156 VAL HG22 H 1 0.747 0.020 . 1 . . . . A 156 VAL HG22 . 18792 1 936 . 1 1 156 156 VAL HG23 H 1 0.747 0.020 . 1 . . . . A 156 VAL HG23 . 18792 1 937 . 1 1 156 156 VAL C C 13 178.497 0.3 . 1 . . . . A 156 VAL C . 18792 1 938 . 1 1 156 156 VAL CA C 13 66.231 0.3 . 1 . . . . A 156 VAL CA . 18792 1 939 . 1 1 156 156 VAL CB C 13 30.685 0.3 . 1 . . . . A 156 VAL CB . 18792 1 940 . 1 1 156 156 VAL CG1 C 13 24.025 0.3 . 1 . . . . A 156 VAL CG1 . 18792 1 941 . 1 1 156 156 VAL CG2 C 13 21.252 0.3 . 1 . . . . A 156 VAL CG2 . 18792 1 942 . 1 1 156 156 VAL N N 15 117.387 0.3 . 1 . . . . A 156 VAL N . 18792 1 943 . 1 1 157 157 GLU H H 1 7.409 0.020 . 1 . . . . A 157 GLU H . 18792 1 944 . 1 1 157 157 GLU C C 13 178.399 0.3 . 1 . . . . A 157 GLU C . 18792 1 945 . 1 1 157 157 GLU CA C 13 58.760 0.3 . 1 . . . . A 157 GLU CA . 18792 1 946 . 1 1 157 157 GLU CB C 13 28.277 0.3 . 1 . . . . A 157 GLU CB . 18792 1 947 . 1 1 157 157 GLU N N 15 119.876 0.3 . 1 . . . . A 157 GLU N . 18792 1 948 . 1 1 158 158 LEU H H 1 7.584 0.020 . 1 . . . . A 158 LEU H . 18792 1 949 . 1 1 158 158 LEU HD11 H 1 0.737 0.020 . 1 . . . . A 158 LEU HD11 . 18792 1 950 . 1 1 158 158 LEU HD12 H 1 0.737 0.020 . 1 . . . . A 158 LEU HD12 . 18792 1 951 . 1 1 158 158 LEU HD13 H 1 0.737 0.020 . 1 . . . . A 158 LEU HD13 . 18792 1 952 . 1 1 158 158 LEU HD21 H 1 0.712 0.020 . 1 . . . . A 158 LEU HD21 . 18792 1 953 . 1 1 158 158 LEU HD22 H 1 0.712 0.020 . 1 . . . . A 158 LEU HD22 . 18792 1 954 . 1 1 158 158 LEU HD23 H 1 0.712 0.020 . 1 . . . . A 158 LEU HD23 . 18792 1 955 . 1 1 158 158 LEU C C 13 178.595 0.3 . 1 . . . . A 158 LEU C . 18792 1 956 . 1 1 158 158 LEU CA C 13 56.377 0.3 . 1 . . . . A 158 LEU CA . 18792 1 957 . 1 1 158 158 LEU CB C 13 42.571 0.3 . 1 . . . . A 158 LEU CB . 18792 1 958 . 1 1 158 158 LEU CD1 C 13 25.091 0.3 . 1 . . . . A 158 LEU CD1 . 18792 1 959 . 1 1 158 158 LEU CD2 C 13 22.236 0.3 . 1 . . . . A 158 LEU CD2 . 18792 1 960 . 1 1 158 158 LEU N N 15 117.194 0.3 . 1 . . . . A 158 LEU N . 18792 1 961 . 1 1 159 159 TYR H H 1 8.099 0.020 . 1 . . . . A 159 TYR H . 18792 1 962 . 1 1 159 159 TYR C C 13 177.032 0.3 . 1 . . . . A 159 TYR C . 18792 1 963 . 1 1 159 159 TYR CA C 13 59.116 0.3 . 1 . . . . A 159 TYR CA . 18792 1 964 . 1 1 159 159 TYR CB C 13 37.599 0.3 . 1 . . . . A 159 TYR CB . 18792 1 965 . 1 1 159 159 TYR N N 15 115.549 0.3 . 1 . . . . A 159 TYR N . 18792 1 966 . 1 1 160 160 GLY H H 1 8.020 0.020 . 1 . . . . A 160 GLY H . 18792 1 967 . 1 1 160 160 GLY C C 13 173.973 0.3 . 1 . . . . A 160 GLY C . 18792 1 968 . 1 1 160 160 GLY CA C 13 45.064 0.3 . 1 . . . . A 160 GLY CA . 18792 1 969 . 1 1 160 160 GLY N N 15 108.334 0.3 . 1 . . . . A 160 GLY N . 18792 1 970 . 1 1 161 161 ASN H H 1 8.327 0.020 . 1 . . . . A 161 ASN H . 18792 1 971 . 1 1 161 161 ASN C C 13 175.513 0.3 . 1 . . . . A 161 ASN C . 18792 1 972 . 1 1 161 161 ASN CA C 13 53.104 0.3 . 1 . . . . A 161 ASN CA . 18792 1 973 . 1 1 161 161 ASN CB C 13 38.203 0.3 . 1 . . . . A 161 ASN CB . 18792 1 974 . 1 1 161 161 ASN N N 15 118.189 0.3 . 1 . . . . A 161 ASN N . 18792 1 975 . 1 1 162 162 ASN H H 1 8.363 0.020 . 1 . . . . A 162 ASN H . 18792 1 976 . 1 1 162 162 ASN C C 13 175.690 0.3 . 1 . . . . A 162 ASN C . 18792 1 977 . 1 1 162 162 ASN CA C 13 53.424 0.3 . 1 . . . . A 162 ASN CA . 18792 1 978 . 1 1 162 162 ASN CB C 13 38.203 0.3 . 1 . . . . A 162 ASN CB . 18792 1 979 . 1 1 162 162 ASN N N 15 119.022 0.3 . 1 . . . . A 162 ASN N . 18792 1 980 . 1 1 163 163 ALA H H 1 8.103 0.020 . 1 . . . . A 163 ALA H . 18792 1 981 . 1 1 163 163 ALA C C 13 178.598 0.3 . 1 . . . . A 163 ALA C . 18792 1 982 . 1 1 163 163 ALA CA C 13 53.238 0.3 . 1 . . . . A 163 ALA CA . 18792 1 983 . 1 1 163 163 ALA CB C 13 17.611 0.3 . 1 . . . . A 163 ALA CB . 18792 1 984 . 1 1 163 163 ALA N N 15 123.275 0.3 . 1 . . . . A 163 ALA N . 18792 1 985 . 1 1 164 164 ALA H H 1 8.053 0.020 . 1 . . . . A 164 ALA H . 18792 1 986 . 1 1 164 164 ALA C C 13 178.642 0.3 . 1 . . . . A 164 ALA C . 18792 1 987 . 1 1 164 164 ALA CA C 13 52.584 0.3 . 1 . . . . A 164 ALA CA . 18792 1 988 . 1 1 164 164 ALA CB C 13 17.819 0.3 . 1 . . . . A 164 ALA CB . 18792 1 989 . 1 1 164 164 ALA N N 15 121.521 0.3 . 1 . . . . A 164 ALA N . 18792 1 990 . 1 1 165 165 ALA H H 1 7.949 0.020 . 1 . . . . A 165 ALA H . 18792 1 991 . 1 1 165 165 ALA C C 13 179.124 0.3 . 1 . . . . A 165 ALA C . 18792 1 992 . 1 1 165 165 ALA CA C 13 53.139 0.3 . 1 . . . . A 165 ALA CA . 18792 1 993 . 1 1 165 165 ALA CB C 13 17.978 0.3 . 1 . . . . A 165 ALA CB . 18792 1 994 . 1 1 165 165 ALA N N 15 122.101 0.3 . 1 . . . . A 165 ALA N . 18792 1 995 . 1 1 166 166 GLU H H 1 8.202 0.020 . 1 . . . . A 166 GLU H . 18792 1 996 . 1 1 166 166 GLU C C 13 177.664 0.3 . 1 . . . . A 166 GLU C . 18792 1 997 . 1 1 166 166 GLU CA C 13 57.088 0.3 . 1 . . . . A 166 GLU CA . 18792 1 998 . 1 1 166 166 GLU CB C 13 28.354 0.3 . 1 . . . . A 166 GLU CB . 18792 1 999 . 1 1 166 166 GLU N N 15 118.381 0.3 . 1 . . . . A 166 GLU N . 18792 1 1000 . 1 1 167 167 SER H H 1 8.029 0.020 . 1 . . . . A 167 SER H . 18792 1 1001 . 1 1 167 167 SER C C 13 175.312 0.3 . 1 . . . . A 167 SER C . 18792 1 1002 . 1 1 167 167 SER CA C 13 58.831 0.3 . 1 . . . . A 167 SER CA . 18792 1 1003 . 1 1 167 167 SER CB C 13 62.537 0.3 . 1 . . . . A 167 SER CB . 18792 1 1004 . 1 1 167 167 SER N N 15 115.193 0.3 . 1 . . . . A 167 SER N . 18792 1 1005 . 1 1 168 168 ARG H H 1 7.967 0.020 . 1 . . . . A 168 ARG H . 18792 1 1006 . 1 1 168 168 ARG C C 13 176.880 0.3 . 1 . . . . A 168 ARG C . 18792 1 1007 . 1 1 168 168 ARG CA C 13 56.163 0.3 . 1 . . . . A 168 ARG CA . 18792 1 1008 . 1 1 168 168 ARG CB C 13 29.209 0.3 . 1 . . . . A 168 ARG CB . 18792 1 1009 . 1 1 168 168 ARG N N 15 121.696 0.3 . 1 . . . . A 168 ARG N . 18792 1 1010 . 1 1 169 169 LYS H H 1 8.011 0.020 . 1 . . . . A 169 LYS H . 18792 1 1011 . 1 1 169 169 LYS C C 13 177.640 0.3 . 1 . . . . A 169 LYS C . 18792 1 1012 . 1 1 169 169 LYS CA C 13 56.697 0.3 . 1 . . . . A 169 LYS CA . 18792 1 1013 . 1 1 169 169 LYS CB C 13 31.462 0.3 . 1 . . . . A 169 LYS CB . 18792 1 1014 . 1 1 169 169 LYS N N 15 120.917 0.3 . 1 . . . . A 169 LYS N . 18792 1 1015 . 1 1 170 170 GLY H H 1 8.329 0.020 . 1 . . . . A 170 GLY H . 18792 1 1016 . 1 1 170 170 GLY C C 13 174.479 0.3 . 1 . . . . A 170 GLY C . 18792 1 1017 . 1 1 170 170 GLY CA C 13 45.064 0.3 . 1 . . . . A 170 GLY CA . 18792 1 1018 . 1 1 170 170 GLY N N 15 109.155 0.3 . 1 . . . . A 170 GLY N . 18792 1 1019 . 1 1 171 171 GLN H H 1 8.035 0.020 . 1 . . . . A 171 GLN H . 18792 1 1020 . 1 1 171 171 GLN C C 13 176.463 0.3 . 1 . . . . A 171 GLN C . 18792 1 1021 . 1 1 171 171 GLN CA C 13 55.666 0.3 . 1 . . . . A 171 GLN CA . 18792 1 1022 . 1 1 171 171 GLN CB C 13 28.199 0.3 . 1 . . . . A 171 GLN CB . 18792 1 1023 . 1 1 171 171 GLN N N 15 119.292 0.3 . 1 . . . . A 171 GLN N . 18792 1 1024 . 1 1 172 172 GLU H H 1 8.405 0.020 . 1 . . . . A 172 GLU H . 18792 1 1025 . 1 1 172 172 GLU C C 13 176.414 0.3 . 1 . . . . A 172 GLU C . 18792 1 1026 . 1 1 172 172 GLU CA C 13 56.341 0.3 . 1 . . . . A 172 GLU CA . 18792 1 1027 . 1 1 172 172 GLU CB C 13 28.821 0.3 . 1 . . . . A 172 GLU CB . 18792 1 1028 . 1 1 172 172 GLU N N 15 121.703 0.3 . 1 . . . . A 172 GLU N . 18792 1 1029 . 1 1 173 173 ARG H H 1 8.335 0.020 . 1 . . . . A 173 ARG H . 18792 1 1030 . 1 1 173 173 ARG C C 13 176.365 0.3 . 1 . . . . A 173 ARG C . 18792 1 1031 . 1 1 173 173 ARG CA C 13 56.199 0.3 . 1 . . . . A 173 ARG CA . 18792 1 1032 . 1 1 173 173 ARG CB C 13 29.131 0.3 . 1 . . . . A 173 ARG CB . 18792 1 1033 . 1 1 173 173 ARG N N 15 121.852 0.3 . 1 . . . . A 173 ARG N . 18792 1 1034 . 1 1 174 174 LEU H H 1 8.082 0.020 . 1 . . . . A 174 LEU H . 18792 1 1035 . 1 1 174 174 LEU HD11 H 1 0.770 0.020 . 1 . . . . A 174 LEU HD11 . 18792 1 1036 . 1 1 174 174 LEU HD12 H 1 0.770 0.020 . 1 . . . . A 174 LEU HD12 . 18792 1 1037 . 1 1 174 174 LEU HD13 H 1 0.770 0.020 . 1 . . . . A 174 LEU HD13 . 18792 1 1038 . 1 1 174 174 LEU HD21 H 1 0.770 0.020 . 1 . . . . A 174 LEU HD21 . 18792 1 1039 . 1 1 174 174 LEU HD22 H 1 0.770 0.020 . 1 . . . . A 174 LEU HD22 . 18792 1 1040 . 1 1 174 174 LEU HD23 H 1 0.770 0.020 . 1 . . . . A 174 LEU HD23 . 18792 1 1041 . 1 1 174 174 LEU C C 13 176.523 0.3 . 1 . . . . A 174 LEU C . 18792 1 1042 . 1 1 174 174 LEU CA C 13 54.768 0.3 . 1 . . . . A 174 LEU CA . 18792 1 1043 . 1 1 174 174 LEU CB C 13 40.784 0.3 . 1 . . . . A 174 LEU CB . 18792 1 1044 . 1 1 174 174 LEU CD2 C 13 24.600 0.3 . 1 . . . . A 174 LEU CD2 . 18792 1 1045 . 1 1 174 174 LEU N N 15 122.640 0.3 . 1 . . . . A 174 LEU N . 18792 1 1046 . 1 1 175 175 GLU H H 1 7.785 0.020 . 1 . . . . A 175 GLU H . 18792 1 1047 . 1 1 175 175 GLU C C 13 181.029 0.3 . 1 . . . . A 175 GLU C . 18792 1 1048 . 1 1 175 175 GLU CA C 13 57.398 0.3 . 1 . . . . A 175 GLU CA . 18792 1 1049 . 1 1 175 175 GLU CB C 13 30.050 0.3 . 1 . . . . A 175 GLU CB . 18792 1 1050 . 1 1 175 175 GLU N N 15 125.909 0.3 . 1 . . . . A 175 GLU N . 18792 1 stop_ save_