data_18793 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18793 _Entry.Title ; Solution structure of BCL-xL in complex with PUMA BH3 peptide ; _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' . . . . 18793 2 Grace Royappa . . . . 18793 3 Richard Kriwacki . W. . . 18793 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' . 18793 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BCL-xL . 18793 PUMA . 18793 apoptosis . 18793 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18793 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 541 18793 '15N chemical shifts' 173 18793 '1H chemical shifts' 481 18793 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' 18793 1 . . 2013-01-22 2012-10-19 original author 'original release' 18793 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18792 'BCL-xL, apo form' 18793 PDB 2M03 'Solution structure of BCL-xL determined with selective isotope labelling of I,L,V sidechains' 18793 PDB 2M04 'BMRB Entry Tracking System' 18793 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18793 _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 . . . . 18793 1 2 Jerry Chipuk . E. . . 18793 1 3 John Fisher . C. . . 18793 1 4 Mi-Kyung Yun . . . . 18793 1 5 Christy Grace . R. . . 18793 1 6 Amanda Nourse . . . . 18793 1 7 Katherine Baran . . . . 18793 1 8 Li Ou . . . . 18793 1 9 Lie Min . . . . 18793 1 10 Stephen White . W. . . 18793 1 11 Douglas Green . R. . . 18793 1 12 Richard Kriwacki . W. . . 18793 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18793 _Assembly.ID 1 _Assembly.Name 'BCL-xL in complex with PUMA BH3 peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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_comp 1 $BCL-xL_comp A . yes native no no . . . 18793 1 2 PUMA_BH3 2 $PUMA_BH3 B . yes native no no . . . 18793 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BCL-xL_comp _Entity.Sf_category entity _Entity.Sf_framecode BCL-xL_comp _Entity.Entry_ID 18793 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BCL-xL_comp _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 ; MSAMSQSNRELVVDFLSYKL SQKGYSWSQFSDVEENRTEA PEGTESEAVKQALREAGDEF ELRYRRAFSDLTSQLHITPG TAYQSFEQVVNELFRDGVNW GRIVAFFSFGGALCVESVDK EMQVLVSRIAAWMATYLNDH LEPWIQENGGWDTFVELYGN NAAAESRKGQERLEHHHHHH ; _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 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19845.008 _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]' . . . . . . . . . . . . . . 18793 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 . 18793 1 2 . SER . 18793 1 3 . ALA . 18793 1 4 1 MET . 18793 1 5 2 SER . 18793 1 6 3 GLN . 18793 1 7 4 SER . 18793 1 8 5 ASN . 18793 1 9 6 ARG . 18793 1 10 7 GLU . 18793 1 11 8 LEU . 18793 1 12 9 VAL . 18793 1 13 10 VAL . 18793 1 14 11 ASP . 18793 1 15 12 PHE . 18793 1 16 13 LEU . 18793 1 17 14 SER . 18793 1 18 15 TYR . 18793 1 19 16 LYS . 18793 1 20 17 LEU . 18793 1 21 18 SER . 18793 1 22 19 GLN . 18793 1 23 20 LYS . 18793 1 24 21 GLY . 18793 1 25 22 TYR . 18793 1 26 23 SER . 18793 1 27 24 TRP . 18793 1 28 25 SER . 18793 1 29 26 GLN . 18793 1 30 27 PHE . 18793 1 31 28 SER . 18793 1 32 29 ASP . 18793 1 33 30 VAL . 18793 1 34 31 GLU . 18793 1 35 32 GLU . 18793 1 36 33 ASN . 18793 1 37 34 ARG . 18793 1 38 35 THR . 18793 1 39 36 GLU . 18793 1 40 37 ALA . 18793 1 41 38 PRO . 18793 1 42 39 GLU . 18793 1 43 40 GLY . 18793 1 44 41 THR . 18793 1 45 42 GLU . 18793 1 46 43 SER . 18793 1 47 44 GLU . 18793 1 48 85 ALA . 18793 1 49 86 VAL . 18793 1 50 87 LYS . 18793 1 51 88 GLN . 18793 1 52 89 ALA . 18793 1 53 90 LEU . 18793 1 54 91 ARG . 18793 1 55 92 GLU . 18793 1 56 93 ALA . 18793 1 57 94 GLY . 18793 1 58 95 ASP . 18793 1 59 96 GLU . 18793 1 60 97 PHE . 18793 1 61 98 GLU . 18793 1 62 99 LEU . 18793 1 63 100 ARG . 18793 1 64 101 TYR . 18793 1 65 102 ARG . 18793 1 66 103 ARG . 18793 1 67 104 ALA . 18793 1 68 105 PHE . 18793 1 69 106 SER . 18793 1 70 107 ASP . 18793 1 71 108 LEU . 18793 1 72 109 THR . 18793 1 73 110 SER . 18793 1 74 111 GLN . 18793 1 75 112 LEU . 18793 1 76 113 HIS . 18793 1 77 114 ILE . 18793 1 78 115 THR . 18793 1 79 116 PRO . 18793 1 80 117 GLY . 18793 1 81 118 THR . 18793 1 82 119 ALA . 18793 1 83 120 TYR . 18793 1 84 121 GLN . 18793 1 85 122 SER . 18793 1 86 123 PHE . 18793 1 87 124 GLU . 18793 1 88 125 GLN . 18793 1 89 126 VAL . 18793 1 90 127 VAL . 18793 1 91 128 ASN . 18793 1 92 129 GLU . 18793 1 93 130 LEU . 18793 1 94 131 PHE . 18793 1 95 132 ARG . 18793 1 96 133 ASP . 18793 1 97 134 GLY . 18793 1 98 135 VAL . 18793 1 99 136 ASN . 18793 1 100 137 TRP . 18793 1 101 138 GLY . 18793 1 102 139 ARG . 18793 1 103 140 ILE . 18793 1 104 141 VAL . 18793 1 105 142 ALA . 18793 1 106 143 PHE . 18793 1 107 144 PHE . 18793 1 108 145 SER . 18793 1 109 146 PHE . 18793 1 110 147 GLY . 18793 1 111 148 GLY . 18793 1 112 149 ALA . 18793 1 113 150 LEU . 18793 1 114 151 CYS . 18793 1 115 152 VAL . 18793 1 116 153 GLU . 18793 1 117 154 SER . 18793 1 118 155 VAL . 18793 1 119 156 ASP . 18793 1 120 157 LYS . 18793 1 121 158 GLU . 18793 1 122 159 MET . 18793 1 123 160 GLN . 18793 1 124 161 VAL . 18793 1 125 162 LEU . 18793 1 126 163 VAL . 18793 1 127 164 SER . 18793 1 128 165 ARG . 18793 1 129 166 ILE . 18793 1 130 167 ALA . 18793 1 131 168 ALA . 18793 1 132 169 TRP . 18793 1 133 170 MET . 18793 1 134 171 ALA . 18793 1 135 172 THR . 18793 1 136 173 TYR . 18793 1 137 174 LEU . 18793 1 138 175 ASN . 18793 1 139 176 ASP . 18793 1 140 177 HIS . 18793 1 141 178 LEU . 18793 1 142 179 GLU . 18793 1 143 180 PRO . 18793 1 144 181 TRP . 18793 1 145 182 ILE . 18793 1 146 183 GLN . 18793 1 147 184 GLU . 18793 1 148 185 ASN . 18793 1 149 186 GLY . 18793 1 150 187 GLY . 18793 1 151 188 TRP . 18793 1 152 189 ASP . 18793 1 153 190 THR . 18793 1 154 191 PHE . 18793 1 155 192 VAL . 18793 1 156 193 GLU . 18793 1 157 194 LEU . 18793 1 158 195 TYR . 18793 1 159 196 GLY . 18793 1 160 197 ASN . 18793 1 161 198 ASN . 18793 1 162 199 ALA . 18793 1 163 200 ALA . 18793 1 164 201 ALA . 18793 1 165 202 GLU . 18793 1 166 203 SER . 18793 1 167 204 ARG . 18793 1 168 205 LYS . 18793 1 169 206 GLY . 18793 1 170 207 GLN . 18793 1 171 208 GLU . 18793 1 172 209 ARG . 18793 1 173 210 LEU . 18793 1 174 211 GLU . 18793 1 175 . HIS . 18793 1 176 . HIS . 18793 1 177 . HIS . 18793 1 178 . HIS . 18793 1 179 . HIS . 18793 1 180 . HIS . 18793 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 18793 1 . SER 2 2 18793 1 . ALA 3 3 18793 1 . MET 4 4 18793 1 . SER 5 5 18793 1 . GLN 6 6 18793 1 . SER 7 7 18793 1 . ASN 8 8 18793 1 . ARG 9 9 18793 1 . GLU 10 10 18793 1 . LEU 11 11 18793 1 . VAL 12 12 18793 1 . VAL 13 13 18793 1 . ASP 14 14 18793 1 . PHE 15 15 18793 1 . LEU 16 16 18793 1 . SER 17 17 18793 1 . TYR 18 18 18793 1 . LYS 19 19 18793 1 . LEU 20 20 18793 1 . SER 21 21 18793 1 . GLN 22 22 18793 1 . LYS 23 23 18793 1 . GLY 24 24 18793 1 . TYR 25 25 18793 1 . SER 26 26 18793 1 . TRP 27 27 18793 1 . SER 28 28 18793 1 . GLN 29 29 18793 1 . PHE 30 30 18793 1 . SER 31 31 18793 1 . ASP 32 32 18793 1 . VAL 33 33 18793 1 . GLU 34 34 18793 1 . GLU 35 35 18793 1 . ASN 36 36 18793 1 . ARG 37 37 18793 1 . THR 38 38 18793 1 . GLU 39 39 18793 1 . ALA 40 40 18793 1 . PRO 41 41 18793 1 . GLU 42 42 18793 1 . GLY 43 43 18793 1 . THR 44 44 18793 1 . GLU 45 45 18793 1 . SER 46 46 18793 1 . GLU 47 47 18793 1 . ALA 48 48 18793 1 . VAL 49 49 18793 1 . LYS 50 50 18793 1 . GLN 51 51 18793 1 . ALA 52 52 18793 1 . LEU 53 53 18793 1 . ARG 54 54 18793 1 . GLU 55 55 18793 1 . ALA 56 56 18793 1 . GLY 57 57 18793 1 . ASP 58 58 18793 1 . GLU 59 59 18793 1 . PHE 60 60 18793 1 . GLU 61 61 18793 1 . LEU 62 62 18793 1 . ARG 63 63 18793 1 . TYR 64 64 18793 1 . ARG 65 65 18793 1 . ARG 66 66 18793 1 . ALA 67 67 18793 1 . PHE 68 68 18793 1 . SER 69 69 18793 1 . ASP 70 70 18793 1 . LEU 71 71 18793 1 . THR 72 72 18793 1 . SER 73 73 18793 1 . GLN 74 74 18793 1 . LEU 75 75 18793 1 . HIS 76 76 18793 1 . ILE 77 77 18793 1 . THR 78 78 18793 1 . PRO 79 79 18793 1 . GLY 80 80 18793 1 . THR 81 81 18793 1 . ALA 82 82 18793 1 . TYR 83 83 18793 1 . GLN 84 84 18793 1 . SER 85 85 18793 1 . PHE 86 86 18793 1 . GLU 87 87 18793 1 . GLN 88 88 18793 1 . VAL 89 89 18793 1 . VAL 90 90 18793 1 . ASN 91 91 18793 1 . GLU 92 92 18793 1 . LEU 93 93 18793 1 . PHE 94 94 18793 1 . ARG 95 95 18793 1 . ASP 96 96 18793 1 . GLY 97 97 18793 1 . VAL 98 98 18793 1 . ASN 99 99 18793 1 . TRP 100 100 18793 1 . GLY 101 101 18793 1 . ARG 102 102 18793 1 . ILE 103 103 18793 1 . VAL 104 104 18793 1 . ALA 105 105 18793 1 . PHE 106 106 18793 1 . PHE 107 107 18793 1 . SER 108 108 18793 1 . PHE 109 109 18793 1 . GLY 110 110 18793 1 . GLY 111 111 18793 1 . ALA 112 112 18793 1 . LEU 113 113 18793 1 . CYS 114 114 18793 1 . VAL 115 115 18793 1 . GLU 116 116 18793 1 . SER 117 117 18793 1 . VAL 118 118 18793 1 . ASP 119 119 18793 1 . LYS 120 120 18793 1 . GLU 121 121 18793 1 . MET 122 122 18793 1 . GLN 123 123 18793 1 . VAL 124 124 18793 1 . LEU 125 125 18793 1 . VAL 126 126 18793 1 . SER 127 127 18793 1 . ARG 128 128 18793 1 . ILE 129 129 18793 1 . ALA 130 130 18793 1 . ALA 131 131 18793 1 . TRP 132 132 18793 1 . MET 133 133 18793 1 . ALA 134 134 18793 1 . THR 135 135 18793 1 . TYR 136 136 18793 1 . LEU 137 137 18793 1 . ASN 138 138 18793 1 . ASP 139 139 18793 1 . HIS 140 140 18793 1 . LEU 141 141 18793 1 . GLU 142 142 18793 1 . PRO 143 143 18793 1 . TRP 144 144 18793 1 . ILE 145 145 18793 1 . GLN 146 146 18793 1 . GLU 147 147 18793 1 . ASN 148 148 18793 1 . GLY 149 149 18793 1 . GLY 150 150 18793 1 . TRP 151 151 18793 1 . ASP 152 152 18793 1 . THR 153 153 18793 1 . PHE 154 154 18793 1 . VAL 155 155 18793 1 . GLU 156 156 18793 1 . LEU 157 157 18793 1 . TYR 158 158 18793 1 . GLY 159 159 18793 1 . ASN 160 160 18793 1 . ASN 161 161 18793 1 . ALA 162 162 18793 1 . ALA 163 163 18793 1 . ALA 164 164 18793 1 . GLU 165 165 18793 1 . SER 166 166 18793 1 . ARG 167 167 18793 1 . LYS 168 168 18793 1 . GLY 169 169 18793 1 . GLN 170 170 18793 1 . GLU 171 171 18793 1 . ARG 172 172 18793 1 . LEU 173 173 18793 1 . GLU 174 174 18793 1 . HIS 175 175 18793 1 . HIS 176 176 18793 1 . HIS 177 177 18793 1 . HIS 178 178 18793 1 . HIS 179 179 18793 1 . HIS 180 180 18793 1 stop_ save_ save_PUMA_BH3 _Entity.Sf_category entity _Entity.Sf_framecode PUMA_BH3 _Entity.Entry_ID 18793 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PUMA_BH3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EEQWAREIGAQLRRMADDLN AQYER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _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 3053.351 _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 AAK39543 . 'PUMA beta [Homo sapiens]' . . . . . . . . . . . . . . 18793 2 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 . GLU . 18793 2 2 69 GLU . 18793 2 3 70 GLN . 18793 2 4 71 TRP . 18793 2 5 72 ALA . 18793 2 6 73 ARG . 18793 2 7 74 GLU . 18793 2 8 75 ILE . 18793 2 9 76 GLY . 18793 2 10 77 ALA . 18793 2 11 78 GLN . 18793 2 12 79 LEU . 18793 2 13 80 ARG . 18793 2 14 81 ARG . 18793 2 15 82 MET . 18793 2 16 83 ALA . 18793 2 17 84 ASP . 18793 2 18 85 ASP . 18793 2 19 86 LEU . 18793 2 20 87 ASN . 18793 2 21 88 ALA . 18793 2 22 89 GLN . 18793 2 23 90 TYR . 18793 2 24 91 GLU . 18793 2 25 92 ARG . 18793 2 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 . GLU 1 1 18793 2 . GLU 2 2 18793 2 . GLN 3 3 18793 2 . TRP 4 4 18793 2 . ALA 5 5 18793 2 . ARG 6 6 18793 2 . GLU 7 7 18793 2 . ILE 8 8 18793 2 . GLY 9 9 18793 2 . ALA 10 10 18793 2 . GLN 11 11 18793 2 . LEU 12 12 18793 2 . ARG 13 13 18793 2 . ARG 14 14 18793 2 . MET 15 15 18793 2 . ALA 16 16 18793 2 . ASP 17 17 18793 2 . ASP 18 18 18793 2 . LEU 19 19 18793 2 . ASN 20 20 18793 2 . ALA 21 21 18793 2 . GLN 22 22 18793 2 . TYR 23 23 18793 2 . GLU 24 24 18793 2 . ARG 25 25 18793 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18793 _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_comp . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'BCL2-like 1' . 18793 1 2 2 $PUMA_BH3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'BCL2 binding component 3' . 18793 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 18793 _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_comp . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET28 . . . 18793 1 2 2 $PUMA_BH3 . 'chemical synthesis' . . . . . . . . . . . . . . . . 18793 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18793 _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_comp '[U-100% 13C; U-100% 15N; U-95% 2H; Ile,Leu,Val C1H3]' . . 1 $BCL-xL_comp . . 0.9 . . mM . . . . 18793 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18793 1 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 18793 1 4 NaN3 'natural abundance' . . . . . . 0.1 . . % . . . . 18793 1 5 H2O 'natural abundance' . . . . . . 92 . . % . . . . 18793 1 6 D2O 'natural abundance' . . . . . . 8 . . % . . . . 18793 1 7 'PUMA BH3' 'natural abundance' . . 2 $PUMA_BH3 . . 0.9 . . mM . . . . 18793 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18793 _Sample.ID 2 _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 '[U-100% 13C; U-100% 15N]' . . 1 $BCL-xL_comp . . 0.9 . . mM . . . . 18793 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18793 2 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 18793 2 4 NaN3 'natural abundance' . . . . . . 0.1 . . % . . . . 18793 2 5 H2O 'natural abundance' . . . . . . 92 . . % . . . . 18793 2 6 D2O 'natural abundance' . . . . . . 8 . . % . . . . 18793 2 7 'PUMA BH3' 'natural abundance' . . 2 $PUMA_BH3 . . 0.9 . . mM . . . . 18793 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18793 _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 18793 1 pH 7.0 0.05 pH 18793 1 pressure 1 . atm 18793 1 temperature 273 . K 18793 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18793 _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' . . 18793 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18793 1 . processing 18793 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18793 _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' . . 18793 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18793 2 . 'data analysis' 18793 2 . 'peak picking' 18793 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18793 _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' . . 18793 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18793 3 . 'peak picking' 18793 3 . 'structure solution' 18793 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18793 _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' . . 18793 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 18793 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 18793 _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 18793 _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 18793 _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' . . 18793 1 2 spectrometer_2 Bruker Avance . 600 'cryogenically-cooled, triple-resonance single-axis gradient probe' . . 18793 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 18793 _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 . . . . . . . . . . . . . . . . . . . . . 18793 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 3 '2D 1H-1H TOCSY 14N edited' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 4 '2D 1H-1H NOESY 14N edited' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18793 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 18793 _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' . . . . 18793 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 18793 1 N 15 '[15N] nitromethane' nitrogen . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) not similar to the experimental sample tube' . . . . 18793 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 18793 _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 6 '3D HNCA' . . . 18793 1 8 '3D HNCACB' . . . 18793 1 9 '3D HNCO' . . . 18793 1 10 '3D HN(CA)CO' . . . 18793 1 11 '3D HCCH-TOCSY' . . . 18793 1 12 '3D 1H-15N NOESY' . . . 18793 1 13 '3D 1H-13C NOESY aliphatic' . . . 18793 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 MET H H 1 8.288 0.020 . 1 . . . . A 1 MET H . 18793 1 2 . 1 1 4 4 MET C C 13 176.466 0.3 . 1 . . . . A 1 MET C . 18793 1 3 . 1 1 4 4 MET CA C 13 54.999 0.3 . 1 . . . . A 1 MET CA . 18793 1 4 . 1 1 4 4 MET CB C 13 31.334 0.3 . 1 . . . . A 1 MET CB . 18793 1 5 . 1 1 4 4 MET N N 15 120.233 0.3 . 1 . . . . A 1 MET N . 18793 1 6 . 1 1 5 5 SER H H 1 8.191 0.020 . 1 . . . . A 2 SER H . 18793 1 7 . 1 1 5 5 SER C C 13 175.585 0.3 . 1 . . . . A 2 SER C . 18793 1 8 . 1 1 5 5 SER CA C 13 58.221 0.3 . 1 . . . . A 2 SER CA . 18793 1 9 . 1 1 5 5 SER CB C 13 62.221 0.3 . 1 . . . . A 2 SER CB . 18793 1 10 . 1 1 5 5 SER N N 15 117.150 0.3 . 1 . . . . A 2 SER N . 18793 1 11 . 1 1 6 6 GLN H H 1 8.334 0.020 . 1 . . . . A 3 GLN H . 18793 1 12 . 1 1 6 6 GLN C C 13 176.703 0.3 . 1 . . . . A 3 GLN C . 18793 1 13 . 1 1 6 6 GLN CA C 13 55.888 0.3 . 1 . . . . A 3 GLN CA . 18793 1 14 . 1 1 6 6 GLN CB C 13 27.445 0.3 . 1 . . . . A 3 GLN CB . 18793 1 15 . 1 1 6 6 GLN N N 15 122.952 0.3 . 1 . . . . A 3 GLN N . 18793 1 16 . 1 1 7 7 SER H H 1 8.300 0.020 . 1 . . . . A 4 SER H . 18793 1 17 . 1 1 7 7 SER C C 13 176.059 0.3 . 1 . . . . A 4 SER C . 18793 1 18 . 1 1 7 7 SER CA C 13 59.443 0.3 . 1 . . . . A 4 SER CA . 18793 1 19 . 1 1 7 7 SER CB C 13 61.888 0.3 . 1 . . . . A 4 SER CB . 18793 1 20 . 1 1 7 7 SER N N 15 117.024 0.3 . 1 . . . . A 4 SER N . 18793 1 21 . 1 1 8 8 ASN H H 1 8.517 0.020 . 1 . . . . A 5 ASN H . 18793 1 22 . 1 1 8 8 ASN C C 13 177.049 0.3 . 1 . . . . A 5 ASN C . 18793 1 23 . 1 1 8 8 ASN CA C 13 55.110 0.3 . 1 . . . . A 5 ASN CA . 18793 1 24 . 1 1 8 8 ASN CB C 13 37.454 0.3 . 1 . . . . A 5 ASN CB . 18793 1 25 . 1 1 8 8 ASN N N 15 122.025 0.3 . 1 . . . . A 5 ASN N . 18793 1 26 . 1 1 9 9 ARG H H 1 8.194 0.020 . 1 . . . . A 6 ARG H . 18793 1 27 . 1 1 9 9 ARG C C 13 177.144 0.3 . 1 . . . . A 6 ARG C . 18793 1 28 . 1 1 9 9 ARG CA C 13 57.366 0.3 . 1 . . . . A 6 ARG CA . 18793 1 29 . 1 1 9 9 ARG CB C 13 28.348 0.3 . 1 . . . . A 6 ARG CB . 18793 1 30 . 1 1 9 9 ARG N N 15 119.117 0.3 . 1 . . . . A 6 ARG N . 18793 1 31 . 1 1 10 10 GLU H H 1 7.902 0.020 . 1 . . . . A 7 GLU H . 18793 1 32 . 1 1 10 10 GLU C C 13 179.178 0.3 . 1 . . . . A 7 GLU C . 18793 1 33 . 1 1 10 10 GLU CA C 13 58.332 0.3 . 1 . . . . A 7 GLU CA . 18793 1 34 . 1 1 10 10 GLU CB C 13 28.112 0.3 . 1 . . . . A 7 GLU CB . 18793 1 35 . 1 1 10 10 GLU N N 15 117.987 0.3 . 1 . . . . A 7 GLU N . 18793 1 36 . 1 1 11 11 LEU H H 1 7.690 0.020 . 1 . . . . A 8 LEU H . 18793 1 37 . 1 1 11 11 LEU HD11 H 1 0.058 0.020 . 1 . . . . A 8 LEU HD11 . 18793 1 38 . 1 1 11 11 LEU HD12 H 1 0.058 0.020 . 1 . . . . A 8 LEU HD12 . 18793 1 39 . 1 1 11 11 LEU HD13 H 1 0.058 0.020 . 1 . . . . A 8 LEU HD13 . 18793 1 40 . 1 1 11 11 LEU C C 13 178.161 0.3 . 1 . . . . A 8 LEU C . 18793 1 41 . 1 1 11 11 LEU CA C 13 56.999 0.3 . 1 . . . . A 8 LEU CA . 18793 1 42 . 1 1 11 11 LEU CB C 13 40.222 0.3 . 1 . . . . A 8 LEU CB . 18793 1 43 . 1 1 11 11 LEU CD1 C 13 20.726 0.3 . 1 . . . . A 8 LEU CD1 . 18793 1 44 . 1 1 11 11 LEU N N 15 120.359 0.3 . 1 . . . . A 8 LEU N . 18793 1 45 . 1 1 12 12 VAL H H 1 7.512 0.020 . 1 . . . . A 9 VAL H . 18793 1 46 . 1 1 12 12 VAL HG11 H 1 0.986 0.020 . 1 . . . . A 9 VAL HG11 . 18793 1 47 . 1 1 12 12 VAL HG12 H 1 0.986 0.020 . 1 . . . . A 9 VAL HG12 . 18793 1 48 . 1 1 12 12 VAL HG13 H 1 0.986 0.020 . 1 . . . . A 9 VAL HG13 . 18793 1 49 . 1 1 12 12 VAL C C 13 176.839 0.3 . 1 . . . . A 9 VAL C . 18793 1 50 . 1 1 12 12 VAL CA C 13 66.554 0.3 . 1 . . . . A 9 VAL CA . 18793 1 51 . 1 1 12 12 VAL CB C 13 31.001 0.3 . 1 . . . . A 9 VAL CB . 18793 1 52 . 1 1 12 12 VAL CG1 C 13 23.288 0.3 . 1 . . . . A 9 VAL CG1 . 18793 1 53 . 1 1 12 12 VAL N N 15 117.926 0.3 . 1 . . . . A 9 VAL N . 18793 1 54 . 1 1 13 13 VAL H H 1 8.254 0.020 . 1 . . . . A 10 VAL H . 18793 1 55 . 1 1 13 13 VAL HG11 H 1 0.668 0.020 . 2 . . . . A 10 VAL HG11 . 18793 1 56 . 1 1 13 13 VAL HG12 H 1 0.668 0.020 . 2 . . . . A 10 VAL HG12 . 18793 1 57 . 1 1 13 13 VAL HG13 H 1 0.668 0.020 . 2 . . . . A 10 VAL HG13 . 18793 1 58 . 1 1 13 13 VAL HG21 H 1 -0.087 0.020 . 2 . . . . A 10 VAL HG21 . 18793 1 59 . 1 1 13 13 VAL HG22 H 1 -0.087 0.020 . 2 . . . . A 10 VAL HG22 . 18793 1 60 . 1 1 13 13 VAL HG23 H 1 -0.087 0.020 . 2 . . . . A 10 VAL HG23 . 18793 1 61 . 1 1 13 13 VAL C C 13 178.364 0.3 . 1 . . . . A 10 VAL C . 18793 1 62 . 1 1 13 13 VAL CA C 13 65.999 0.3 . 1 . . . . A 10 VAL CA . 18793 1 63 . 1 1 13 13 VAL CB C 13 30.112 0.3 . 1 . . . . A 10 VAL CB . 18793 1 64 . 1 1 13 13 VAL CG1 C 13 23.451 0.3 . 1 . . . . A 10 VAL CG1 . 18793 1 65 . 1 1 13 13 VAL CG2 C 13 19.365 0.3 . 1 . . . . A 10 VAL CG2 . 18793 1 66 . 1 1 13 13 VAL N N 15 117.730 0.3 . 1 . . . . A 10 VAL N . 18793 1 67 . 1 1 14 14 ASP H H 1 8.029 0.020 . 1 . . . . A 11 ASP H . 18793 1 68 . 1 1 14 14 ASP C C 13 177.212 0.3 . 1 . . . . A 11 ASP C . 18793 1 69 . 1 1 14 14 ASP CA C 13 57.999 0.3 . 1 . . . . A 11 ASP CA . 18793 1 70 . 1 1 14 14 ASP CB C 13 42.111 0.3 . 1 . . . . A 11 ASP CB . 18793 1 71 . 1 1 14 14 ASP N N 15 121.346 0.3 . 1 . . . . A 11 ASP N . 18793 1 72 . 1 1 15 15 PHE H H 1 8.120 0.020 . 1 . . . . A 12 PHE H . 18793 1 73 . 1 1 15 15 PHE C C 13 177.890 0.3 . 1 . . . . A 12 PHE C . 18793 1 74 . 1 1 15 15 PHE CA C 13 62.110 0.3 . 1 . . . . A 12 PHE CA . 18793 1 75 . 1 1 15 15 PHE CB C 13 38.778 0.3 . 1 . . . . A 12 PHE CB . 18793 1 76 . 1 1 15 15 PHE N N 15 120.632 0.3 . 1 . . . . A 12 PHE N . 18793 1 77 . 1 1 16 16 LEU H H 1 8.770 0.020 . 1 . . . . A 13 LEU H . 18793 1 78 . 1 1 16 16 LEU HD11 H 1 0.833 0.020 . 2 . . . . A 13 LEU HD11 . 18793 1 79 . 1 1 16 16 LEU HD12 H 1 0.833 0.020 . 2 . . . . A 13 LEU HD12 . 18793 1 80 . 1 1 16 16 LEU HD13 H 1 0.833 0.020 . 2 . . . . A 13 LEU HD13 . 18793 1 81 . 1 1 16 16 LEU HD21 H 1 1.092 0.020 . 2 . . . . A 13 LEU HD21 . 18793 1 82 . 1 1 16 16 LEU HD22 H 1 1.092 0.020 . 2 . . . . A 13 LEU HD22 . 18793 1 83 . 1 1 16 16 LEU HD23 H 1 1.092 0.020 . 2 . . . . A 13 LEU HD23 . 18793 1 84 . 1 1 16 16 LEU C C 13 179.280 0.3 . 1 . . . . A 13 LEU C . 18793 1 85 . 1 1 16 16 LEU CA C 13 57.555 0.3 . 1 . . . . A 13 LEU CA . 18793 1 86 . 1 1 16 16 LEU CB C 13 40.222 0.3 . 1 . . . . A 13 LEU CB . 18793 1 87 . 1 1 16 16 LEU CD1 C 13 23.838 0.3 . 1 . . . . A 13 LEU CD1 . 18793 1 88 . 1 1 16 16 LEU CD2 C 13 26.066 0.3 . 1 . . . . A 13 LEU CD2 . 18793 1 89 . 1 1 16 16 LEU N N 15 117.068 0.3 . 1 . . . . A 13 LEU N . 18793 1 90 . 1 1 17 17 SER H H 1 8.407 0.020 . 1 . . . . A 14 SER H . 18793 1 91 . 1 1 17 17 SER C C 13 176.941 0.3 . 1 . . . . A 14 SER C . 18793 1 92 . 1 1 17 17 SER CA C 13 61.777 0.3 . 1 . . . . A 14 SER CA . 18793 1 93 . 1 1 17 17 SER CB C 13 60.824 0.3 . 1 . . . . A 14 SER CB . 18793 1 94 . 1 1 17 17 SER N N 15 114.398 0.3 . 1 . . . . A 14 SER N . 18793 1 95 . 1 1 18 18 TYR H H 1 8.129 0.020 . 1 . . . . A 15 TYR H . 18793 1 96 . 1 1 18 18 TYR C C 13 177.991 0.3 . 1 . . . . A 15 TYR C . 18793 1 97 . 1 1 18 18 TYR CA C 13 59.274 0.3 . 1 . . . . A 15 TYR CA . 18793 1 98 . 1 1 18 18 TYR CB C 13 36.457 0.3 . 1 . . . . A 15 TYR CB . 18793 1 99 . 1 1 18 18 TYR N N 15 125.435 0.3 . 1 . . . . A 15 TYR N . 18793 1 100 . 1 1 19 19 LYS H H 1 8.150 0.020 . 1 . . . . A 16 LYS H . 18793 1 101 . 1 1 19 19 LYS C C 13 180.127 0.3 . 1 . . . . A 16 LYS C . 18793 1 102 . 1 1 19 19 LYS CA C 13 56.221 0.3 . 1 . . . . A 16 LYS CA . 18793 1 103 . 1 1 19 19 LYS CB C 13 28.223 0.3 . 1 . . . . A 16 LYS CB . 18793 1 104 . 1 1 19 19 LYS N N 15 120.549 0.3 . 1 . . . . A 16 LYS N . 18793 1 105 . 1 1 20 20 LEU H H 1 8.581 0.020 . 1 . . . . A 17 LEU H . 18793 1 106 . 1 1 20 20 LEU HD11 H 1 0.880 0.020 . 2 . . . . A 17 LEU HD11 . 18793 1 107 . 1 1 20 20 LEU HD12 H 1 0.880 0.020 . 2 . . . . A 17 LEU HD12 . 18793 1 108 . 1 1 20 20 LEU HD13 H 1 0.880 0.020 . 2 . . . . A 17 LEU HD13 . 18793 1 109 . 1 1 20 20 LEU HD21 H 1 0.874 0.020 . 2 . . . . A 17 LEU HD21 . 18793 1 110 . 1 1 20 20 LEU HD22 H 1 0.874 0.020 . 2 . . . . A 17 LEU HD22 . 18793 1 111 . 1 1 20 20 LEU HD23 H 1 0.874 0.020 . 2 . . . . A 17 LEU HD23 . 18793 1 112 . 1 1 20 20 LEU C C 13 179.653 0.3 . 1 . . . . A 17 LEU C . 18793 1 113 . 1 1 20 20 LEU CA C 13 57.777 0.3 . 1 . . . . A 17 LEU CA . 18793 1 114 . 1 1 20 20 LEU CB C 13 39.667 0.3 . 1 . . . . A 17 LEU CB . 18793 1 115 . 1 1 20 20 LEU CD1 C 13 25.741 0.3 . 1 . . . . A 17 LEU CD1 . 18793 1 116 . 1 1 20 20 LEU CD2 C 13 22.201 0.3 . 1 . . . . A 17 LEU CD2 . 18793 1 117 . 1 1 20 20 LEU N N 15 118.843 0.3 . 1 . . . . A 17 LEU N . 18793 1 118 . 1 1 21 21 SER H H 1 8.272 0.020 . 1 . . . . A 18 SER H . 18793 1 119 . 1 1 21 21 SER C C 13 178.297 0.3 . 1 . . . . A 18 SER C . 18793 1 120 . 1 1 21 21 SER CA C 13 60.492 0.3 . 1 . . . . A 18 SER CA . 18793 1 121 . 1 1 21 21 SER CB C 13 61.600 0.3 . 1 . . . . A 18 SER CB . 18793 1 122 . 1 1 21 21 SER N N 15 117.814 0.3 . 1 . . . . A 18 SER N . 18793 1 123 . 1 1 22 22 GLN H H 1 7.562 0.020 . 1 . . . . A 19 GLN H . 18793 1 124 . 1 1 22 22 GLN C C 13 176.941 0.3 . 1 . . . . A 19 GLN C . 18793 1 125 . 1 1 22 22 GLN CA C 13 57.666 0.3 . 1 . . . . A 19 GLN CA . 18793 1 126 . 1 1 22 22 GLN CB C 13 27.334 0.3 . 1 . . . . A 19 GLN CB . 18793 1 127 . 1 1 22 22 GLN N N 15 123.182 0.3 . 1 . . . . A 19 GLN N . 18793 1 128 . 1 1 23 23 LYS H H 1 7.114 0.020 . 1 . . . . A 20 LYS H . 18793 1 129 . 1 1 23 23 LYS C C 13 175.178 0.3 . 1 . . . . A 20 LYS C . 18793 1 130 . 1 1 23 23 LYS CA C 13 52.999 0.3 . 1 . . . . A 20 LYS CA . 18793 1 131 . 1 1 23 23 LYS CB C 13 31.445 0.3 . 1 . . . . A 20 LYS CB . 18793 1 132 . 1 1 23 23 LYS N N 15 116.732 0.3 . 1 . . . . A 20 LYS N . 18793 1 133 . 1 1 24 24 GLY H H 1 7.451 0.020 . 1 . . . . A 21 GLY H . 18793 1 134 . 1 1 24 24 GLY C C 13 173.652 0.3 . 1 . . . . A 21 GLY C . 18793 1 135 . 1 1 24 24 GLY CA C 13 44.210 0.3 . 1 . . . . A 21 GLY CA . 18793 1 136 . 1 1 24 24 GLY N N 15 105.804 0.3 . 1 . . . . A 21 GLY N . 18793 1 137 . 1 1 25 25 TYR H H 1 7.769 0.020 . 1 . . . . A 22 TYR H . 18793 1 138 . 1 1 25 25 TYR C C 13 174.737 0.3 . 1 . . . . A 22 TYR C . 18793 1 139 . 1 1 25 25 TYR CA C 13 54.666 0.3 . 1 . . . . A 22 TYR CA . 18793 1 140 . 1 1 25 25 TYR CB C 13 39.667 0.3 . 1 . . . . A 22 TYR CB . 18793 1 141 . 1 1 25 25 TYR N N 15 120.097 0.3 . 1 . . . . A 22 TYR N . 18793 1 142 . 1 1 26 26 SER H H 1 8.483 0.020 . 1 . . . . A 23 SER H . 18793 1 143 . 1 1 26 26 SER C C 13 174.262 0.3 . 1 . . . . A 23 SER C . 18793 1 144 . 1 1 26 26 SER CA C 13 55.888 0.3 . 1 . . . . A 23 SER CA . 18793 1 145 . 1 1 26 26 SER CB C 13 63.888 0.3 . 1 . . . . A 23 SER CB . 18793 1 146 . 1 1 26 26 SER N N 15 115.275 0.3 . 1 . . . . A 23 SER N . 18793 1 147 . 1 1 27 27 TRP H H 1 8.928 0.020 . 1 . . . . A 24 TRP H . 18793 1 148 . 1 1 27 27 TRP HE1 H 1 9.941 0.020 . 1 . . . . A 24 TRP HE1 . 18793 1 149 . 1 1 27 27 TRP C C 13 176.669 0.3 . 1 . . . . A 24 TRP C . 18793 1 150 . 1 1 27 27 TRP CA C 13 59.385 0.3 . 1 . . . . A 24 TRP CA . 18793 1 151 . 1 1 27 27 TRP CB C 13 29.479 0.3 . 1 . . . . A 24 TRP CB . 18793 1 152 . 1 1 27 27 TRP N N 15 127.826 0.3 . 1 . . . . A 24 TRP N . 18793 1 153 . 1 1 27 27 TRP NE1 N 15 129.222 0.3 . 1 . . . . A 24 TRP NE1 . 18793 1 154 . 1 1 28 28 SER H H 1 8.146 0.020 . 1 . . . . A 25 SER H . 18793 1 155 . 1 1 28 28 SER C C 13 174.974 0.3 . 1 . . . . A 25 SER C . 18793 1 156 . 1 1 28 28 SER CA C 13 59.332 0.3 . 1 . . . . A 25 SER CA . 18793 1 157 . 1 1 28 28 SER CB C 13 61.888 0.3 . 1 . . . . A 25 SER CB . 18793 1 158 . 1 1 28 28 SER N N 15 111.710 0.3 . 1 . . . . A 25 SER N . 18793 1 159 . 1 1 29 29 GLN H H 1 7.319 0.020 . 1 . . . . A 26 GLN H . 18793 1 160 . 1 1 29 29 GLN C C 13 175.991 0.3 . 1 . . . . A 26 GLN C . 18793 1 161 . 1 1 29 29 GLN CA C 13 56.332 0.3 . 1 . . . . A 26 GLN CA . 18793 1 162 . 1 1 29 29 GLN CB C 13 27.112 0.3 . 1 . . . . A 26 GLN CB . 18793 1 163 . 1 1 29 29 GLN N N 15 119.553 0.3 . 1 . . . . A 26 GLN N . 18793 1 164 . 1 1 30 30 PHE H H 1 7.109 0.020 . 1 . . . . A 27 PHE H . 18793 1 165 . 1 1 30 30 PHE C C 13 174.635 0.3 . 1 . . . . A 27 PHE C . 18793 1 166 . 1 1 30 30 PHE CA C 13 55.555 0.3 . 1 . . . . A 27 PHE CA . 18793 1 167 . 1 1 30 30 PHE CB C 13 38.556 0.3 . 1 . . . . A 27 PHE CB . 18793 1 168 . 1 1 30 30 PHE N N 15 116.264 0.3 . 1 . . . . A 27 PHE N . 18793 1 169 . 1 1 31 31 SER H H 1 7.058 0.020 . 1 . . . . A 28 SER H . 18793 1 170 . 1 1 31 31 SER C C 13 173.313 0.3 . 1 . . . . A 28 SER C . 18793 1 171 . 1 1 31 31 SER CA C 13 56.555 0.3 . 1 . . . . A 28 SER CA . 18793 1 172 . 1 1 31 31 SER CB C 13 62.665 0.3 . 1 . . . . A 28 SER CB . 18793 1 173 . 1 1 31 31 SER N N 15 114.011 0.3 . 1 . . . . A 28 SER N . 18793 1 174 . 1 1 32 32 ASP H H 1 8.220 0.020 . 1 . . . . A 29 ASP H . 18793 1 175 . 1 1 32 32 ASP C C 13 175.991 0.3 . 1 . . . . A 29 ASP C . 18793 1 176 . 1 1 32 32 ASP CA C 13 53.333 0.3 . 1 . . . . A 29 ASP CA . 18793 1 177 . 1 1 32 32 ASP CB C 13 39.889 0.3 . 1 . . . . A 29 ASP CB . 18793 1 178 . 1 1 32 32 ASP N N 15 123.008 0.3 . 1 . . . . A 29 ASP N . 18793 1 179 . 1 1 33 33 VAL H H 1 7.823 0.020 . 1 . . . . A 30 VAL H . 18793 1 180 . 1 1 33 33 VAL HG11 H 1 0.793 0.020 . 1 . . . . A 30 VAL HG11 . 18793 1 181 . 1 1 33 33 VAL HG12 H 1 0.793 0.020 . 1 . . . . A 30 VAL HG12 . 18793 1 182 . 1 1 33 33 VAL HG13 H 1 0.793 0.020 . 1 . . . . A 30 VAL HG13 . 18793 1 183 . 1 1 33 33 VAL C C 13 175.788 0.3 . 1 . . . . A 30 VAL C . 18793 1 184 . 1 1 33 33 VAL CA C 13 61.332 0.3 . 1 . . . . A 30 VAL CA . 18793 1 185 . 1 1 33 33 VAL CB C 13 31.889 0.3 . 1 . . . . A 30 VAL CB . 18793 1 186 . 1 1 33 33 VAL CG1 C 13 20.757 0.3 . 1 . . . . A 30 VAL CG1 . 18793 1 187 . 1 1 33 33 VAL N N 15 119.570 0.3 . 1 . . . . A 30 VAL N . 18793 1 188 . 1 1 34 34 GLU H H 1 8.390 0.020 . 1 . . . . A 31 GLU H . 18793 1 189 . 1 1 34 34 GLU C C 13 176.229 0.3 . 1 . . . . A 31 GLU C . 18793 1 190 . 1 1 34 34 GLU CA C 13 55.397 0.3 . 1 . . . . A 31 GLU CA . 18793 1 191 . 1 1 34 34 GLU CB C 13 28.704 0.3 . 1 . . . . A 31 GLU CB . 18793 1 192 . 1 1 34 34 GLU N N 15 124.976 0.3 . 1 . . . . A 31 GLU N . 18793 1 193 . 1 1 35 35 GLU H H 1 8.307 0.020 . 1 . . . . A 32 GLU H . 18793 1 194 . 1 1 35 35 GLU C C 13 175.788 0.3 . 1 . . . . A 32 GLU C . 18793 1 195 . 1 1 35 35 GLU CA C 13 55.444 0.3 . 1 . . . . A 32 GLU CA . 18793 1 196 . 1 1 35 35 GLU CB C 13 29.001 0.3 . 1 . . . . A 32 GLU CB . 18793 1 197 . 1 1 35 35 GLU N N 15 122.629 0.3 . 1 . . . . A 32 GLU N . 18793 1 198 . 1 1 36 36 ASN H H 1 8.386 0.020 . 1 . . . . A 33 ASN H . 18793 1 199 . 1 1 36 36 ASN C C 13 174.601 0.3 . 1 . . . . A 33 ASN C . 18793 1 200 . 1 1 36 36 ASN CA C 13 52.555 0.3 . 1 . . . . A 33 ASN CA . 18793 1 201 . 1 1 36 36 ASN CB C 13 37.778 0.3 . 1 . . . . A 33 ASN CB . 18793 1 202 . 1 1 36 36 ASN N N 15 119.996 0.3 . 1 . . . . A 33 ASN N . 18793 1 203 . 1 1 37 37 ARG H H 1 8.211 0.020 . 1 . . . . A 34 ARG H . 18793 1 204 . 1 1 37 37 ARG C C 13 176.195 0.3 . 1 . . . . A 34 ARG C . 18793 1 205 . 1 1 37 37 ARG CA C 13 55.332 0.3 . 1 . . . . A 34 ARG CA . 18793 1 206 . 1 1 37 37 ARG CB C 13 29.334 0.3 . 1 . . . . A 34 ARG CB . 18793 1 207 . 1 1 37 37 ARG N N 15 122.424 0.3 . 1 . . . . A 34 ARG N . 18793 1 208 . 1 1 38 38 THR H H 1 8.143 0.020 . 1 . . . . A 35 THR H . 18793 1 209 . 1 1 38 38 THR C C 13 174.093 0.3 . 1 . . . . A 35 THR C . 18793 1 210 . 1 1 38 38 THR CA C 13 60.999 0.3 . 1 . . . . A 35 THR CA . 18793 1 211 . 1 1 38 38 THR CB C 13 68.887 0.3 . 1 . . . . A 35 THR CB . 18793 1 212 . 1 1 38 38 THR N N 15 116.319 0.3 . 1 . . . . A 35 THR N . 18793 1 213 . 1 1 39 39 GLU H H 1 8.270 0.020 . 1 . . . . A 36 GLU H . 18793 1 214 . 1 1 39 39 GLU C C 13 175.279 0.3 . 1 . . . . A 36 GLU C . 18793 1 215 . 1 1 39 39 GLU CA C 13 55.397 0.3 . 1 . . . . A 36 GLU CA . 18793 1 216 . 1 1 39 39 GLU CB C 13 28.815 0.3 . 1 . . . . A 36 GLU CB . 18793 1 217 . 1 1 39 39 GLU N N 15 123.405 0.3 . 1 . . . . A 36 GLU N . 18793 1 218 . 1 1 40 40 ALA H H 1 8.170 0.020 . 1 . . . . A 37 ALA H . 18793 1 219 . 1 1 40 40 ALA C C 13 175.279 0.3 . 1 . . . . A 37 ALA C . 18793 1 220 . 1 1 40 40 ALA CA C 13 49.638 0.3 . 1 . . . . A 37 ALA CA . 18793 1 221 . 1 1 40 40 ALA CB C 13 17.074 0.3 . 1 . . . . A 37 ALA CB . 18793 1 222 . 1 1 40 40 ALA N N 15 126.500 0.3 . 1 . . . . A 37 ALA N . 18793 1 223 . 1 1 42 42 GLU H H 1 8.480 0.020 . 1 . . . . A 39 GLU H . 18793 1 224 . 1 1 42 42 GLU C C 13 176.771 0.3 . 1 . . . . A 39 GLU C . 18793 1 225 . 1 1 42 42 GLU CA C 13 55.999 0.3 . 1 . . . . A 39 GLU CA . 18793 1 226 . 1 1 42 42 GLU CB C 13 29.001 0.3 . 1 . . . . A 39 GLU CB . 18793 1 227 . 1 1 42 42 GLU N N 15 121.397 0.3 . 1 . . . . A 39 GLU N . 18793 1 228 . 1 1 43 43 GLY H H 1 8.388 0.020 . 1 . . . . A 40 GLY H . 18793 1 229 . 1 1 43 43 GLY C C 13 174.330 0.3 . 1 . . . . A 40 GLY C . 18793 1 230 . 1 1 43 43 GLY CA C 13 44.555 0.3 . 1 . . . . A 40 GLY CA . 18793 1 231 . 1 1 43 43 GLY N N 15 110.587 0.3 . 1 . . . . A 40 GLY N . 18793 1 232 . 1 1 44 44 THR H H 1 8.072 0.020 . 1 . . . . A 41 THR H . 18793 1 233 . 1 1 44 44 THR C C 13 175.279 0.3 . 1 . . . . A 41 THR C . 18793 1 234 . 1 1 44 44 THR CA C 13 61.332 0.3 . 1 . . . . A 41 THR CA . 18793 1 235 . 1 1 44 44 THR CB C 13 68.887 0.3 . 1 . . . . A 41 THR CB . 18793 1 236 . 1 1 44 44 THR N N 15 113.357 0.3 . 1 . . . . A 41 THR N . 18793 1 237 . 1 1 45 45 GLU H H 1 8.741 0.020 . 1 . . . . A 42 GLU H . 18793 1 238 . 1 1 45 45 GLU C C 13 177.076 0.3 . 1 . . . . A 42 GLU C . 18793 1 239 . 1 1 45 45 GLU CA C 13 56.505 0.3 . 1 . . . . A 42 GLU CA . 18793 1 240 . 1 1 45 45 GLU CB C 13 28.040 0.3 . 1 . . . . A 42 GLU CB . 18793 1 241 . 1 1 45 45 GLU N N 15 123.483 0.3 . 1 . . . . A 42 GLU N . 18793 1 242 . 1 1 46 46 SER H H 1 8.297 0.020 . 1 . . . . A 43 SER H . 18793 1 243 . 1 1 46 46 SER C C 13 175.483 0.3 . 1 . . . . A 43 SER C . 18793 1 244 . 1 1 46 46 SER CA C 13 57.999 0.3 . 1 . . . . A 43 SER CA . 18793 1 245 . 1 1 46 46 SER CB C 13 62.221 0.3 . 1 . . . . A 43 SER CB . 18793 1 246 . 1 1 46 46 SER N N 15 115.380 0.3 . 1 . . . . A 43 SER N . 18793 1 247 . 1 1 47 47 GLU H H 1 8.079 0.020 . 1 . . . . A 44 GLU H . 18793 1 248 . 1 1 47 47 GLU C C 13 177.754 0.3 . 1 . . . . A 44 GLU C . 18793 1 249 . 1 1 47 47 GLU CA C 13 58.221 0.3 . 1 . . . . A 44 GLU CA . 18793 1 250 . 1 1 47 47 GLU CB C 13 28.001 0.3 . 1 . . . . A 44 GLU CB . 18793 1 251 . 1 1 47 47 GLU N N 15 123.104 0.3 . 1 . . . . A 44 GLU N . 18793 1 252 . 1 1 48 48 ALA H H 1 8.050 0.020 . 1 . . . . A 85 ALA H . 18793 1 253 . 1 1 48 48 ALA C C 13 180.297 0.3 . 1 . . . . A 85 ALA C . 18793 1 254 . 1 1 48 48 ALA CA C 13 53.999 0.3 . 1 . . . . A 85 ALA CA . 18793 1 255 . 1 1 48 48 ALA CB C 13 17.001 0.3 . 1 . . . . A 85 ALA CB . 18793 1 256 . 1 1 48 48 ALA N N 15 121.082 0.3 . 1 . . . . A 85 ALA N . 18793 1 257 . 1 1 49 49 VAL H H 1 7.342 0.020 . 1 . . . . A 86 VAL H . 18793 1 258 . 1 1 49 49 VAL HG11 H 1 0.319 0.020 . 2 . . . . A 86 VAL HG11 . 18793 1 259 . 1 1 49 49 VAL HG12 H 1 0.319 0.020 . 2 . . . . A 86 VAL HG12 . 18793 1 260 . 1 1 49 49 VAL HG13 H 1 0.319 0.020 . 2 . . . . A 86 VAL HG13 . 18793 1 261 . 1 1 49 49 VAL HG21 H 1 0.857 0.020 . 2 . . . . A 86 VAL HG21 . 18793 1 262 . 1 1 49 49 VAL HG22 H 1 0.857 0.020 . 2 . . . . A 86 VAL HG22 . 18793 1 263 . 1 1 49 49 VAL HG23 H 1 0.857 0.020 . 2 . . . . A 86 VAL HG23 . 18793 1 264 . 1 1 49 49 VAL C C 13 176.466 0.3 . 1 . . . . A 86 VAL C . 18793 1 265 . 1 1 49 49 VAL CA C 13 64.999 0.3 . 1 . . . . A 86 VAL CA . 18793 1 266 . 1 1 49 49 VAL CB C 13 30.112 0.3 . 1 . . . . A 86 VAL CB . 18793 1 267 . 1 1 49 49 VAL CG1 C 13 21.481 0.3 . 1 . . . . A 86 VAL CG1 . 18793 1 268 . 1 1 49 49 VAL CG2 C 13 19.686 0.3 . 1 . . . . A 86 VAL CG2 . 18793 1 269 . 1 1 49 49 VAL N N 15 118.964 0.3 . 1 . . . . A 86 VAL N . 18793 1 270 . 1 1 50 50 LYS H H 1 7.312 0.020 . 1 . . . . A 87 LYS H . 18793 1 271 . 1 1 50 50 LYS C C 13 178.669 0.3 . 1 . . . . A 87 LYS C . 18793 1 272 . 1 1 50 50 LYS CA C 13 58.443 0.3 . 1 . . . . A 87 LYS CA . 18793 1 273 . 1 1 50 50 LYS CB C 13 30.778 0.3 . 1 . . . . A 87 LYS CB . 18793 1 274 . 1 1 50 50 LYS N N 15 118.061 0.3 . 1 . . . . A 87 LYS N . 18793 1 275 . 1 1 51 51 GLN H H 1 7.924 0.020 . 1 . . . . A 88 GLN H . 18793 1 276 . 1 1 51 51 GLN C C 13 177.212 0.3 . 1 . . . . A 88 GLN C . 18793 1 277 . 1 1 51 51 GLN CA C 13 57.888 0.3 . 1 . . . . A 88 GLN CA . 18793 1 278 . 1 1 51 51 GLN CB C 13 26.890 0.3 . 1 . . . . A 88 GLN CB . 18793 1 279 . 1 1 51 51 GLN N N 15 116.417 0.3 . 1 . . . . A 88 GLN N . 18793 1 280 . 1 1 52 52 ALA H H 1 7.605 0.020 . 1 . . . . A 89 ALA H . 18793 1 281 . 1 1 52 52 ALA C C 13 179.076 0.3 . 1 . . . . A 89 ALA C . 18793 1 282 . 1 1 52 52 ALA CA C 13 53.999 0.3 . 1 . . . . A 89 ALA CA . 18793 1 283 . 1 1 52 52 ALA CB C 13 17.113 0.3 . 1 . . . . A 89 ALA CB . 18793 1 284 . 1 1 52 52 ALA N N 15 120.666 0.3 . 1 . . . . A 89 ALA N . 18793 1 285 . 1 1 53 53 LEU H H 1 8.283 0.020 . 1 . . . . A 90 LEU H . 18793 1 286 . 1 1 53 53 LEU HD11 H 1 -0.439 0.020 . 2 . . . . A 90 LEU HD11 . 18793 1 287 . 1 1 53 53 LEU HD12 H 1 -0.439 0.020 . 2 . . . . A 90 LEU HD12 . 18793 1 288 . 1 1 53 53 LEU HD13 H 1 -0.439 0.020 . 2 . . . . A 90 LEU HD13 . 18793 1 289 . 1 1 53 53 LEU HD21 H 1 0.846 0.020 . 2 . . . . A 90 LEU HD21 . 18793 1 290 . 1 1 53 53 LEU HD22 H 1 0.846 0.020 . 2 . . . . A 90 LEU HD22 . 18793 1 291 . 1 1 53 53 LEU HD23 H 1 0.846 0.020 . 2 . . . . A 90 LEU HD23 . 18793 1 292 . 1 1 53 53 LEU C C 13 179.178 0.3 . 1 . . . . A 90 LEU C . 18793 1 293 . 1 1 53 53 LEU CA C 13 57.332 0.3 . 1 . . . . A 90 LEU CA . 18793 1 294 . 1 1 53 53 LEU CB C 13 40.889 0.3 . 1 . . . . A 90 LEU CB . 18793 1 295 . 1 1 53 53 LEU CD1 C 13 22.345 0.3 . 1 . . . . A 90 LEU CD1 . 18793 1 296 . 1 1 53 53 LEU CD2 C 13 21.488 0.3 . 1 . . . . A 90 LEU CD2 . 18793 1 297 . 1 1 53 53 LEU N N 15 119.883 0.3 . 1 . . . . A 90 LEU N . 18793 1 298 . 1 1 54 54 ARG H H 1 8.011 0.020 . 1 . . . . A 91 ARG H . 18793 1 299 . 1 1 54 54 ARG C C 13 178.432 0.3 . 1 . . . . A 91 ARG C . 18793 1 300 . 1 1 54 54 ARG CA C 13 59.666 0.3 . 1 . . . . A 91 ARG CA . 18793 1 301 . 1 1 54 54 ARG CB C 13 29.334 0.3 . 1 . . . . A 91 ARG CB . 18793 1 302 . 1 1 54 54 ARG N N 15 118.692 0.3 . 1 . . . . A 91 ARG N . 18793 1 303 . 1 1 55 55 GLU H H 1 7.802 0.020 . 1 . . . . A 92 GLU H . 18793 1 304 . 1 1 55 55 GLU C C 13 179.788 0.3 . 1 . . . . A 92 GLU C . 18793 1 305 . 1 1 55 55 GLU CA C 13 58.110 0.3 . 1 . . . . A 92 GLU CA . 18793 1 306 . 1 1 55 55 GLU CB C 13 27.890 0.3 . 1 . . . . A 92 GLU CB . 18793 1 307 . 1 1 55 55 GLU N N 15 116.799 0.3 . 1 . . . . A 92 GLU N . 18793 1 308 . 1 1 56 56 ALA H H 1 8.795 0.020 . 1 . . . . A 93 ALA H . 18793 1 309 . 1 1 56 56 ALA C C 13 180.161 0.3 . 1 . . . . A 93 ALA C . 18793 1 310 . 1 1 56 56 ALA CA C 13 54.290 0.3 . 1 . . . . A 93 ALA CA . 18793 1 311 . 1 1 56 56 ALA CB C 13 18.071 0.3 . 1 . . . . A 93 ALA CB . 18793 1 312 . 1 1 56 56 ALA N N 15 124.583 0.3 . 1 . . . . A 93 ALA N . 18793 1 313 . 1 1 57 57 GLY H H 1 8.949 0.020 . 1 . . . . A 94 GLY H . 18793 1 314 . 1 1 57 57 GLY C C 13 175.673 0.3 . 1 . . . . A 94 GLY C . 18793 1 315 . 1 1 57 57 GLY CA C 13 46.333 0.3 . 1 . . . . A 94 GLY CA . 18793 1 316 . 1 1 57 57 GLY N N 15 107.341 0.3 . 1 . . . . A 94 GLY N . 18793 1 317 . 1 1 58 58 ASP H H 1 8.129 0.020 . 1 . . . . A 95 ASP H . 18793 1 318 . 1 1 58 58 ASP C C 13 175.822 0.3 . 1 . . . . A 95 ASP C . 18793 1 319 . 1 1 58 58 ASP CA C 13 62.448 0.3 . 1 . . . . A 95 ASP CA . 18793 1 320 . 1 1 58 58 ASP CB C 13 38.604 0.3 . 1 . . . . A 95 ASP CB . 18793 1 321 . 1 1 58 58 ASP N N 15 122.494 0.3 . 1 . . . . A 95 ASP N . 18793 1 322 . 1 1 59 59 GLU H H 1 8.691 0.020 . 1 . . . . A 96 GLU H . 18793 1 323 . 1 1 59 59 GLU C C 13 177.367 0.3 . 1 . . . . A 96 GLU C . 18793 1 324 . 1 1 59 59 GLU CA C 13 57.391 0.3 . 1 . . . . A 96 GLU CA . 18793 1 325 . 1 1 59 59 GLU CB C 13 27.929 0.3 . 1 . . . . A 96 GLU CB . 18793 1 326 . 1 1 59 59 GLU N N 15 123.198 0.3 . 1 . . . . A 96 GLU N . 18793 1 327 . 1 1 60 60 PHE H H 1 7.939 0.020 . 1 . . . . A 97 PHE H . 18793 1 328 . 1 1 60 60 PHE C C 13 175.163 0.3 . 1 . . . . A 97 PHE C . 18793 1 329 . 1 1 60 60 PHE CA C 13 61.888 0.3 . 1 . . . . A 97 PHE CA . 18793 1 330 . 1 1 60 60 PHE N N 15 113.232 0.3 . 1 . . . . A 97 PHE N . 18793 1 331 . 1 1 61 61 GLU H H 1 8.430 0.020 . 1 . . . . A 98 GLU H . 18793 1 332 . 1 1 61 61 GLU C C 13 177.867 0.3 . 1 . . . . A 98 GLU C . 18793 1 333 . 1 1 61 61 GLU CA C 13 58.176 0.3 . 1 . . . . A 98 GLU CA . 18793 1 334 . 1 1 61 61 GLU CB C 13 28.630 0.3 . 1 . . . . A 98 GLU CB . 18793 1 335 . 1 1 61 61 GLU N N 15 117.778 0.3 . 1 . . . . A 98 GLU N . 18793 1 336 . 1 1 62 62 LEU H H 1 8.147 0.020 . 1 . . . . A 99 LEU H . 18793 1 337 . 1 1 62 62 LEU HD11 H 1 0.853 0.020 . 2 . . . . A 99 LEU HD11 . 18793 1 338 . 1 1 62 62 LEU HD12 H 1 0.853 0.020 . 2 . . . . A 99 LEU HD12 . 18793 1 339 . 1 1 62 62 LEU HD13 H 1 0.853 0.020 . 2 . . . . A 99 LEU HD13 . 18793 1 340 . 1 1 62 62 LEU HD21 H 1 1.010 0.020 . 2 . . . . A 99 LEU HD21 . 18793 1 341 . 1 1 62 62 LEU HD22 H 1 1.010 0.020 . 2 . . . . A 99 LEU HD22 . 18793 1 342 . 1 1 62 62 LEU HD23 H 1 1.010 0.020 . 2 . . . . A 99 LEU HD23 . 18793 1 343 . 1 1 62 62 LEU C C 13 174.414 0.3 . 1 . . . . A 99 LEU C . 18793 1 344 . 1 1 62 62 LEU CA C 13 61.699 0.3 . 1 . . . . A 99 LEU CA . 18793 1 345 . 1 1 62 62 LEU CB C 13 38.559 0.3 . 1 . . . . A 99 LEU CB . 18793 1 346 . 1 1 62 62 LEU CD1 C 13 24.887 0.3 . 1 . . . . A 99 LEU CD1 . 18793 1 347 . 1 1 62 62 LEU CD2 C 13 23.764 0.3 . 1 . . . . A 99 LEU CD2 . 18793 1 348 . 1 1 62 62 LEU N N 15 120.279 0.3 . 1 . . . . A 99 LEU N . 18793 1 349 . 1 1 63 63 ARG H H 1 8.266 0.020 . 1 . . . . A 100 ARG H . 18793 1 350 . 1 1 63 63 ARG C C 13 176.243 0.3 . 1 . . . . A 100 ARG C . 18793 1 351 . 1 1 63 63 ARG CA C 13 55.409 0.3 . 1 . . . . A 100 ARG CA . 18793 1 352 . 1 1 63 63 ARG CB C 13 29.007 0.3 . 1 . . . . A 100 ARG CB . 18793 1 353 . 1 1 63 63 ARG N N 15 122.704 0.3 . 1 . . . . A 100 ARG N . 18793 1 354 . 1 1 64 64 TYR H H 1 7.057 0.020 . 1 . . . . A 101 TYR H . 18793 1 355 . 1 1 64 64 TYR C C 13 174.883 0.3 . 1 . . . . A 101 TYR C . 18793 1 356 . 1 1 64 64 TYR CA C 13 61.125 0.3 . 1 . . . . A 101 TYR CA . 18793 1 357 . 1 1 64 64 TYR N N 15 113.706 0.3 . 1 . . . . A 101 TYR N . 18793 1 358 . 1 1 65 65 ARG H H 1 8.451 0.020 . 1 . . . . A 102 ARG H . 18793 1 359 . 1 1 65 65 ARG C C 13 177.982 0.3 . 1 . . . . A 102 ARG C . 18793 1 360 . 1 1 65 65 ARG CA C 13 55.397 0.3 . 1 . . . . A 102 ARG CA . 18793 1 361 . 1 1 65 65 ARG CB C 13 28.372 0.3 . 1 . . . . A 102 ARG CB . 18793 1 362 . 1 1 65 65 ARG N N 15 125.729 0.3 . 1 . . . . A 102 ARG N . 18793 1 363 . 1 1 66 66 ARG H H 1 7.946 0.020 . 1 . . . . A 103 ARG H . 18793 1 364 . 1 1 66 66 ARG C C 13 173.891 0.3 . 1 . . . . A 103 ARG C . 18793 1 365 . 1 1 66 66 ARG CA C 13 55.598 0.3 . 1 . . . . A 103 ARG CA . 18793 1 366 . 1 1 66 66 ARG CB C 13 28.569 0.3 . 1 . . . . A 103 ARG CB . 18793 1 367 . 1 1 66 66 ARG N N 15 125.081 0.3 . 1 . . . . A 103 ARG N . 18793 1 368 . 1 1 67 67 ALA H H 1 8.393 0.020 . 1 . . . . A 104 ALA H . 18793 1 369 . 1 1 67 67 ALA C C 13 173.823 0.3 . 1 . . . . A 104 ALA C . 18793 1 370 . 1 1 67 67 ALA CA C 13 51.527 0.3 . 1 . . . . A 104 ALA CA . 18793 1 371 . 1 1 67 67 ALA CB C 13 17.628 0.3 . 1 . . . . A 104 ALA CB . 18793 1 372 . 1 1 67 67 ALA N N 15 125.459 0.3 . 1 . . . . A 104 ALA N . 18793 1 373 . 1 1 68 68 PHE H H 1 8.375 0.020 . 1 . . . . A 105 PHE H . 18793 1 374 . 1 1 68 68 PHE C C 13 175.254 0.3 . 1 . . . . A 105 PHE C . 18793 1 375 . 1 1 68 68 PHE CA C 13 55.516 0.3 . 1 . . . . A 105 PHE CA . 18793 1 376 . 1 1 68 68 PHE CB C 13 29.453 0.3 . 1 . . . . A 105 PHE CB . 18793 1 377 . 1 1 68 68 PHE N N 15 123.051 0.3 . 1 . . . . A 105 PHE N . 18793 1 378 . 1 1 69 69 SER H H 1 8.223 0.020 . 1 . . . . A 106 SER H . 18793 1 379 . 1 1 69 69 SER C C 13 173.891 0.3 . 1 . . . . A 106 SER C . 18793 1 380 . 1 1 69 69 SER CA C 13 58.360 0.3 . 1 . . . . A 106 SER CA . 18793 1 381 . 1 1 69 69 SER CB C 13 62.227 0.3 . 1 . . . . A 106 SER CB . 18793 1 382 . 1 1 69 69 SER N N 15 116.768 0.3 . 1 . . . . A 106 SER N . 18793 1 383 . 1 1 70 70 ASP H H 1 7.978 0.020 . 1 . . . . A 107 ASP H . 18793 1 384 . 1 1 70 70 ASP C C 13 174.777 0.3 . 1 . . . . A 107 ASP C . 18793 1 385 . 1 1 70 70 ASP CA C 13 58.176 0.3 . 1 . . . . A 107 ASP CA . 18793 1 386 . 1 1 70 70 ASP N N 15 123.072 0.3 . 1 . . . . A 107 ASP N . 18793 1 387 . 1 1 71 71 LEU H H 1 8.117 0.020 . 1 . . . . A 108 LEU H . 18793 1 388 . 1 1 71 71 LEU HD11 H 1 0.044 0.020 . 2 . . . . A 108 LEU HD11 . 18793 1 389 . 1 1 71 71 LEU HD12 H 1 0.044 0.020 . 2 . . . . A 108 LEU HD12 . 18793 1 390 . 1 1 71 71 LEU HD13 H 1 0.044 0.020 . 2 . . . . A 108 LEU HD13 . 18793 1 391 . 1 1 71 71 LEU HD21 H 1 0.859 0.020 . 2 . . . . A 108 LEU HD21 . 18793 1 392 . 1 1 71 71 LEU HD22 H 1 0.859 0.020 . 2 . . . . A 108 LEU HD22 . 18793 1 393 . 1 1 71 71 LEU HD23 H 1 0.859 0.020 . 2 . . . . A 108 LEU HD23 . 18793 1 394 . 1 1 71 71 LEU C C 13 176.186 0.3 . 1 . . . . A 108 LEU C . 18793 1 395 . 1 1 71 71 LEU CA C 13 55.444 0.3 . 1 . . . . A 108 LEU CA . 18793 1 396 . 1 1 71 71 LEU CB C 13 38.399 0.3 . 1 . . . . A 108 LEU CB . 18793 1 397 . 1 1 71 71 LEU CD1 C 13 23.906 0.3 . 1 . . . . A 108 LEU CD1 . 18793 1 398 . 1 1 71 71 LEU CD2 C 13 23.407 0.3 . 1 . . . . A 108 LEU CD2 . 18793 1 399 . 1 1 71 71 LEU N N 15 120.240 0.3 . 1 . . . . A 108 LEU N . 18793 1 400 . 1 1 72 72 THR H H 1 8.224 0.020 . 1 . . . . A 109 THR H . 18793 1 401 . 1 1 72 72 THR C C 13 173.966 0.3 . 1 . . . . A 109 THR C . 18793 1 402 . 1 1 72 72 THR CA C 13 60.999 0.3 . 1 . . . . A 109 THR CA . 18793 1 403 . 1 1 72 72 THR CB C 13 68.776 0.3 . 1 . . . . A 109 THR CB . 18793 1 404 . 1 1 72 72 THR N N 15 117.282 0.3 . 1 . . . . A 109 THR N . 18793 1 405 . 1 1 73 73 SER H H 1 8.154 0.020 . 1 . . . . A 110 SER H . 18793 1 406 . 1 1 73 73 SER C C 13 176.306 0.3 . 1 . . . . A 110 SER C . 18793 1 407 . 1 1 73 73 SER CA C 13 61.078 0.3 . 1 . . . . A 110 SER CA . 18793 1 408 . 1 1 73 73 SER CB C 13 68.998 0.3 . 1 . . . . A 110 SER CB . 18793 1 409 . 1 1 73 73 SER N N 15 116.754 0.3 . 1 . . . . A 110 SER N . 18793 1 410 . 1 1 74 74 GLN H H 1 8.362 0.020 . 1 . . . . A 111 GLN H . 18793 1 411 . 1 1 74 74 GLN C C 13 175.368 0.3 . 1 . . . . A 111 GLN C . 18793 1 412 . 1 1 74 74 GLN CA C 13 55.009 0.3 . 1 . . . . A 111 GLN CA . 18793 1 413 . 1 1 74 74 GLN CB C 13 29.600 0.3 . 1 . . . . A 111 GLN CB . 18793 1 414 . 1 1 74 74 GLN N N 15 124.124 0.3 . 1 . . . . A 111 GLN N . 18793 1 415 . 1 1 75 75 LEU H H 1 7.082 0.020 . 1 . . . . A 112 LEU H . 18793 1 416 . 1 1 75 75 LEU HD11 H 1 -0.090 0.020 . 2 . . . . A 112 LEU HD11 . 18793 1 417 . 1 1 75 75 LEU HD12 H 1 -0.090 0.020 . 2 . . . . A 112 LEU HD12 . 18793 1 418 . 1 1 75 75 LEU HD13 H 1 -0.090 0.020 . 2 . . . . A 112 LEU HD13 . 18793 1 419 . 1 1 75 75 LEU HD21 H 1 0.776 0.020 . 2 . . . . A 112 LEU HD21 . 18793 1 420 . 1 1 75 75 LEU HD22 H 1 0.776 0.020 . 2 . . . . A 112 LEU HD22 . 18793 1 421 . 1 1 75 75 LEU HD23 H 1 0.776 0.020 . 2 . . . . A 112 LEU HD23 . 18793 1 422 . 1 1 75 75 LEU C C 13 175.504 0.3 . 1 . . . . A 112 LEU C . 18793 1 423 . 1 1 75 75 LEU CA C 13 54.567 0.3 . 1 . . . . A 112 LEU CA . 18793 1 424 . 1 1 75 75 LEU CB C 13 40.574 0.3 . 1 . . . . A 112 LEU CB . 18793 1 425 . 1 1 75 75 LEU CD1 C 13 20.635 0.3 . 1 . . . . A 112 LEU CD1 . 18793 1 426 . 1 1 75 75 LEU CD2 C 13 25.838 0.3 . 1 . . . . A 112 LEU CD2 . 18793 1 427 . 1 1 75 75 LEU N N 15 118.186 0.3 . 1 . . . . A 112 LEU N . 18793 1 428 . 1 1 76 76 HIS H H 1 7.115 0.020 . 1 . . . . A 113 HIS H . 18793 1 429 . 1 1 76 76 HIS C C 13 176.095 0.3 . 1 . . . . A 113 HIS C . 18793 1 430 . 1 1 76 76 HIS CA C 13 53.020 0.3 . 1 . . . . A 113 HIS CA . 18793 1 431 . 1 1 76 76 HIS CB C 13 40.205 0.3 . 1 . . . . A 113 HIS CB . 18793 1 432 . 1 1 76 76 HIS N N 15 116.081 0.3 . 1 . . . . A 113 HIS N . 18793 1 433 . 1 1 77 77 ILE H H 1 7.825 0.020 . 1 . . . . A 114 ILE H . 18793 1 434 . 1 1 77 77 ILE HD11 H 1 0.734 0.020 . 1 . . . . A 114 ILE HD11 . 18793 1 435 . 1 1 77 77 ILE HD12 H 1 0.734 0.020 . 1 . . . . A 114 ILE HD12 . 18793 1 436 . 1 1 77 77 ILE HD13 H 1 0.734 0.020 . 1 . . . . A 114 ILE HD13 . 18793 1 437 . 1 1 77 77 ILE C C 13 175.924 0.3 . 1 . . . . A 114 ILE C . 18793 1 438 . 1 1 77 77 ILE CA C 13 61.133 0.3 . 1 . . . . A 114 ILE CA . 18793 1 439 . 1 1 77 77 ILE CB C 13 40.205 0.3 . 1 . . . . A 114 ILE CB . 18793 1 440 . 1 1 77 77 ILE CD1 C 13 12.862 0.3 . 1 . . . . A 114 ILE CD1 . 18793 1 441 . 1 1 77 77 ILE N N 15 119.426 0.3 . 1 . . . . A 114 ILE N . 18793 1 442 . 1 1 78 78 THR H H 1 7.057 0.020 . 1 . . . . A 115 THR H . 18793 1 443 . 1 1 78 78 THR C C 13 173.459 0.3 . 1 . . . . A 115 THR C . 18793 1 444 . 1 1 78 78 THR CA C 13 56.541 0.3 . 1 . . . . A 115 THR CA . 18793 1 445 . 1 1 78 78 THR CB C 13 62.486 0.3 . 1 . . . . A 115 THR CB . 18793 1 446 . 1 1 78 78 THR N N 15 113.922 0.3 . 1 . . . . A 115 THR N . 18793 1 447 . 1 1 80 80 GLY H H 1 8.470 0.020 . 1 . . . . A 117 GLY H . 18793 1 448 . 1 1 80 80 GLY C C 13 174.709 0.3 . 1 . . . . A 117 GLY C . 18793 1 449 . 1 1 80 80 GLY CA C 13 44.778 0.3 . 1 . . . . A 117 GLY CA . 18793 1 450 . 1 1 80 80 GLY N N 15 109.674 0.3 . 1 . . . . A 117 GLY N . 18793 1 451 . 1 1 81 81 THR H H 1 7.456 0.020 . 1 . . . . A 118 THR H . 18793 1 452 . 1 1 81 81 THR C C 13 175.551 0.3 . 1 . . . . A 118 THR C . 18793 1 453 . 1 1 81 81 THR CA C 13 60.443 0.3 . 1 . . . . A 118 THR CA . 18793 1 454 . 1 1 81 81 THR CB C 13 69.665 0.3 . 1 . . . . A 118 THR CB . 18793 1 455 . 1 1 81 81 THR N N 15 108.257 0.3 . 1 . . . . A 118 THR N . 18793 1 456 . 1 1 82 82 ALA H H 1 7.700 0.020 . 1 . . . . A 119 ALA H . 18793 1 457 . 1 1 82 82 ALA C C 13 177.381 0.3 . 1 . . . . A 119 ALA C . 18793 1 458 . 1 1 82 82 ALA CA C 13 55.508 0.3 . 1 . . . . A 119 ALA CA . 18793 1 459 . 1 1 82 82 ALA CB C 13 18.403 0.3 . 1 . . . . A 119 ALA CB . 18793 1 460 . 1 1 82 82 ALA N N 15 126.644 0.3 . 1 . . . . A 119 ALA N . 18793 1 461 . 1 1 83 83 TYR H H 1 8.732 0.020 . 1 . . . . A 120 TYR H . 18793 1 462 . 1 1 83 83 TYR C C 13 176.432 0.3 . 1 . . . . A 120 TYR C . 18793 1 463 . 1 1 83 83 TYR CA C 13 60.665 0.3 . 1 . . . . A 120 TYR CA . 18793 1 464 . 1 1 83 83 TYR CB C 13 35.667 0.3 . 1 . . . . A 120 TYR CB . 18793 1 465 . 1 1 83 83 TYR N N 15 118.342 0.3 . 1 . . . . A 120 TYR N . 18793 1 466 . 1 1 84 84 GLN H H 1 8.067 0.020 . 1 . . . . A 121 GLN H . 18793 1 467 . 1 1 84 84 GLN C C 13 178.703 0.3 . 1 . . . . A 121 GLN C . 18793 1 468 . 1 1 84 84 GLN CA C 13 57.888 0.3 . 1 . . . . A 121 GLN CA . 18793 1 469 . 1 1 84 84 GLN CB C 13 26.556 0.3 . 1 . . . . A 121 GLN CB . 18793 1 470 . 1 1 84 84 GLN N N 15 118.304 0.3 . 1 . . . . A 121 GLN N . 18793 1 471 . 1 1 85 85 SER H H 1 7.950 0.020 . 1 . . . . A 122 SER H . 18793 1 472 . 1 1 85 85 SER C C 13 174.141 0.3 . 1 . . . . A 122 SER C . 18793 1 473 . 1 1 85 85 SER CA C 13 61.821 0.3 . 1 . . . . A 122 SER CA . 18793 1 474 . 1 1 85 85 SER CB C 13 61.821 0.3 . 1 . . . . A 122 SER CB . 18793 1 475 . 1 1 85 85 SER N N 15 115.707 0.3 . 1 . . . . A 122 SER N . 18793 1 476 . 1 1 86 86 PHE H H 1 8.249 0.020 . 1 . . . . A 123 PHE H . 18793 1 477 . 1 1 86 86 PHE C C 13 175.178 0.3 . 1 . . . . A 123 PHE C . 18793 1 478 . 1 1 86 86 PHE CA C 13 61.443 0.3 . 1 . . . . A 123 PHE CA . 18793 1 479 . 1 1 86 86 PHE CB C 13 38.111 0.3 . 1 . . . . A 123 PHE CB . 18793 1 480 . 1 1 86 86 PHE N N 15 122.186 0.3 . 1 . . . . A 123 PHE N . 18793 1 481 . 1 1 87 87 GLU H H 1 8.429 0.020 . 1 . . . . A 124 GLU H . 18793 1 482 . 1 1 87 87 GLU C C 13 177.822 0.3 . 1 . . . . A 124 GLU C . 18793 1 483 . 1 1 87 87 GLU CA C 13 58.110 0.3 . 1 . . . . A 124 GLU CA . 18793 1 484 . 1 1 87 87 GLU CB C 13 28.334 0.3 . 1 . . . . A 124 GLU CB . 18793 1 485 . 1 1 87 87 GLU N N 15 117.971 0.3 . 1 . . . . A 124 GLU N . 18793 1 486 . 1 1 88 88 GLN H H 1 7.729 0.020 . 1 . . . . A 125 GLN H . 18793 1 487 . 1 1 88 88 GLN C C 13 179.076 0.3 . 1 . . . . A 125 GLN C . 18793 1 488 . 1 1 88 88 GLN CA C 13 57.777 0.3 . 1 . . . . A 125 GLN CA . 18793 1 489 . 1 1 88 88 GLN CB C 13 27.890 0.3 . 1 . . . . A 125 GLN CB . 18793 1 490 . 1 1 88 88 GLN N N 15 116.466 0.3 . 1 . . . . A 125 GLN N . 18793 1 491 . 1 1 89 89 VAL H H 1 7.605 0.020 . 1 . . . . A 126 VAL H . 18793 1 492 . 1 1 89 89 VAL HG11 H 1 -0.582 0.020 . 2 . . . . A 126 VAL HG11 . 18793 1 493 . 1 1 89 89 VAL HG12 H 1 -0.582 0.020 . 2 . . . . A 126 VAL HG12 . 18793 1 494 . 1 1 89 89 VAL HG13 H 1 -0.582 0.020 . 2 . . . . A 126 VAL HG13 . 18793 1 495 . 1 1 89 89 VAL HG21 H 1 0.726 0.020 . 2 . . . . A 126 VAL HG21 . 18793 1 496 . 1 1 89 89 VAL HG22 H 1 0.726 0.020 . 2 . . . . A 126 VAL HG22 . 18793 1 497 . 1 1 89 89 VAL HG23 H 1 0.726 0.020 . 2 . . . . A 126 VAL HG23 . 18793 1 498 . 1 1 89 89 VAL C C 13 177.652 0.3 . 1 . . . . A 126 VAL C . 18793 1 499 . 1 1 89 89 VAL CA C 13 65.999 0.3 . 1 . . . . A 126 VAL CA . 18793 1 500 . 1 1 89 89 VAL CB C 13 30.334 0.3 . 1 . . . . A 126 VAL CB . 18793 1 501 . 1 1 89 89 VAL CG1 C 13 19.740 0.3 . 1 . . . . A 126 VAL CG1 . 18793 1 502 . 1 1 89 89 VAL CG2 C 13 20.706 0.3 . 1 . . . . A 126 VAL CG2 . 18793 1 503 . 1 1 89 89 VAL N N 15 118.872 0.3 . 1 . . . . A 126 VAL N . 18793 1 504 . 1 1 90 90 VAL H H 1 7.693 0.020 . 1 . . . . A 127 VAL H . 18793 1 505 . 1 1 90 90 VAL HG11 H 1 0.108 0.020 . 2 . . . . A 127 VAL HG11 . 18793 1 506 . 1 1 90 90 VAL HG12 H 1 0.108 0.020 . 2 . . . . A 127 VAL HG12 . 18793 1 507 . 1 1 90 90 VAL HG13 H 1 0.108 0.020 . 2 . . . . A 127 VAL HG13 . 18793 1 508 . 1 1 90 90 VAL HG21 H 1 0.118 0.020 . 2 . . . . A 127 VAL HG21 . 18793 1 509 . 1 1 90 90 VAL HG22 H 1 0.118 0.020 . 2 . . . . A 127 VAL HG22 . 18793 1 510 . 1 1 90 90 VAL HG23 H 1 0.118 0.020 . 2 . . . . A 127 VAL HG23 . 18793 1 511 . 1 1 90 90 VAL C C 13 176.805 0.3 . 1 . . . . A 127 VAL C . 18793 1 512 . 1 1 90 90 VAL CA C 13 65.809 0.3 . 1 . . . . A 127 VAL CA . 18793 1 513 . 1 1 90 90 VAL CB C 13 29.922 0.3 . 1 . . . . A 127 VAL CB . 18793 1 514 . 1 1 90 90 VAL CG1 C 13 21.156 0.3 . 1 . . . . A 127 VAL CG1 . 18793 1 515 . 1 1 90 90 VAL CG2 C 13 22.278 0.3 . 1 . . . . A 127 VAL CG2 . 18793 1 516 . 1 1 90 90 VAL N N 15 116.857 0.3 . 1 . . . . A 127 VAL N . 18793 1 517 . 1 1 91 91 ASN H H 1 8.128 0.020 . 1 . . . . A 128 ASN H . 18793 1 518 . 1 1 91 91 ASN C C 13 177.856 0.3 . 1 . . . . A 128 ASN C . 18793 1 519 . 1 1 91 91 ASN CA C 13 54.333 0.3 . 1 . . . . A 128 ASN CA . 18793 1 520 . 1 1 91 91 ASN CB C 13 36.445 0.3 . 1 . . . . A 128 ASN CB . 18793 1 521 . 1 1 91 91 ASN N N 15 116.756 0.3 . 1 . . . . A 128 ASN N . 18793 1 522 . 1 1 92 92 GLU H H 1 6.951 0.020 . 1 . . . . A 129 GLU H . 18793 1 523 . 1 1 92 92 GLU C C 13 178.127 0.3 . 1 . . . . A 129 GLU C . 18793 1 524 . 1 1 92 92 GLU CA C 13 56.888 0.3 . 1 . . . . A 129 GLU CA . 18793 1 525 . 1 1 92 92 GLU CB C 13 28.223 0.3 . 1 . . . . A 129 GLU CB . 18793 1 526 . 1 1 92 92 GLU N N 15 118.891 0.3 . 1 . . . . A 129 GLU N . 18793 1 527 . 1 1 93 93 LEU H H 1 8.094 0.020 . 1 . . . . A 130 LEU H . 18793 1 528 . 1 1 93 93 LEU HD11 H 1 0.317 0.020 . 2 . . . . A 130 LEU HD11 . 18793 1 529 . 1 1 93 93 LEU HD12 H 1 0.317 0.020 . 2 . . . . A 130 LEU HD12 . 18793 1 530 . 1 1 93 93 LEU HD13 H 1 0.317 0.020 . 2 . . . . A 130 LEU HD13 . 18793 1 531 . 1 1 93 93 LEU HD21 H 1 0.771 0.020 . 2 . . . . A 130 LEU HD21 . 18793 1 532 . 1 1 93 93 LEU HD22 H 1 0.771 0.020 . 2 . . . . A 130 LEU HD22 . 18793 1 533 . 1 1 93 93 LEU HD23 H 1 0.771 0.020 . 2 . . . . A 130 LEU HD23 . 18793 1 534 . 1 1 93 93 LEU C C 13 174.296 0.3 . 1 . . . . A 130 LEU C . 18793 1 535 . 1 1 93 93 LEU CA C 13 57.059 0.3 . 1 . . . . A 130 LEU CA . 18793 1 536 . 1 1 93 93 LEU CB C 13 40.555 0.3 . 1 . . . . A 130 LEU CB . 18793 1 537 . 1 1 93 93 LEU CD1 C 13 21.232 0.3 . 1 . . . . A 130 LEU CD1 . 18793 1 538 . 1 1 93 93 LEU CD2 C 13 21.189 0.3 . 1 . . . . A 130 LEU CD2 . 18793 1 539 . 1 1 93 93 LEU N N 15 124.958 0.3 . 1 . . . . A 130 LEU N . 18793 1 540 . 1 1 94 94 PHE H H 1 6.815 0.020 . 1 . . . . A 131 PHE H . 18793 1 541 . 1 1 94 94 PHE C C 13 177.788 0.3 . 1 . . . . A 131 PHE C . 18793 1 542 . 1 1 94 94 PHE CA C 13 55.444 0.3 . 1 . . . . A 131 PHE CA . 18793 1 543 . 1 1 94 94 PHE CB C 13 36.556 0.3 . 1 . . . . A 131 PHE CB . 18793 1 544 . 1 1 94 94 PHE N N 15 108.419 0.3 . 1 . . . . A 131 PHE N . 18793 1 545 . 1 1 95 95 ARG H H 1 7.085 0.020 . 1 . . . . A 132 ARG H . 18793 1 546 . 1 1 95 95 ARG C C 13 177.008 0.3 . 1 . . . . A 132 ARG C . 18793 1 547 . 1 1 95 95 ARG CA C 13 58.777 0.3 . 1 . . . . A 132 ARG CA . 18793 1 548 . 1 1 95 95 ARG CB C 13 28.445 0.3 . 1 . . . . A 132 ARG CB . 18793 1 549 . 1 1 95 95 ARG N N 15 122.279 0.3 . 1 . . . . A 132 ARG N . 18793 1 550 . 1 1 96 96 ASP H H 1 8.178 0.020 . 1 . . . . A 133 ASP H . 18793 1 551 . 1 1 96 96 ASP C C 13 175.686 0.3 . 1 . . . . A 133 ASP C . 18793 1 552 . 1 1 96 96 ASP CA C 13 52.137 0.3 . 1 . . . . A 133 ASP CA . 18793 1 553 . 1 1 96 96 ASP CB C 13 36.965 0.3 . 1 . . . . A 133 ASP CB . 18793 1 554 . 1 1 96 96 ASP N N 15 125.582 0.3 . 1 . . . . A 133 ASP N . 18793 1 555 . 1 1 97 97 GLY H H 1 7.176 0.020 . 1 . . . . A 134 GLY H . 18793 1 556 . 1 1 97 97 GLY C C 13 171.279 0.3 . 1 . . . . A 134 GLY C . 18793 1 557 . 1 1 97 97 GLY CA C 13 43.778 0.3 . 1 . . . . A 134 GLY CA . 18793 1 558 . 1 1 97 97 GLY N N 15 106.837 0.3 . 1 . . . . A 134 GLY N . 18793 1 559 . 1 1 98 98 VAL H H 1 7.916 0.020 . 1 . . . . A 135 VAL H . 18793 1 560 . 1 1 98 98 VAL HG11 H 1 -0.693 0.020 . 2 . . . . A 135 VAL HG11 . 18793 1 561 . 1 1 98 98 VAL HG12 H 1 -0.693 0.020 . 2 . . . . A 135 VAL HG12 . 18793 1 562 . 1 1 98 98 VAL HG13 H 1 -0.693 0.020 . 2 . . . . A 135 VAL HG13 . 18793 1 563 . 1 1 98 98 VAL HG21 H 1 0.243 0.020 . 2 . . . . A 135 VAL HG21 . 18793 1 564 . 1 1 98 98 VAL HG22 H 1 0.243 0.020 . 2 . . . . A 135 VAL HG22 . 18793 1 565 . 1 1 98 98 VAL HG23 H 1 0.243 0.020 . 2 . . . . A 135 VAL HG23 . 18793 1 566 . 1 1 98 98 VAL C C 13 173.856 0.3 . 1 . . . . A 135 VAL C . 18793 1 567 . 1 1 98 98 VAL CA C 13 60.777 0.3 . 1 . . . . A 135 VAL CA . 18793 1 568 . 1 1 98 98 VAL CB C 13 32.556 0.3 . 1 . . . . A 135 VAL CB . 18793 1 569 . 1 1 98 98 VAL CG1 C 13 22.958 0.3 . 1 . . . . A 135 VAL CG1 . 18793 1 570 . 1 1 98 98 VAL CG2 C 13 20.430 0.3 . 1 . . . . A 135 VAL CG2 . 18793 1 571 . 1 1 98 98 VAL N N 15 119.120 0.3 . 1 . . . . A 135 VAL N . 18793 1 572 . 1 1 99 99 ASN H H 1 6.147 0.020 . 1 . . . . A 136 ASN H . 18793 1 573 . 1 1 99 99 ASN C C 13 174.805 0.3 . 1 . . . . A 136 ASN C . 18793 1 574 . 1 1 99 99 ASN CA C 13 51.444 0.3 . 1 . . . . A 136 ASN CA . 18793 1 575 . 1 1 99 99 ASN CB C 13 39.111 0.3 . 1 . . . . A 136 ASN CB . 18793 1 576 . 1 1 99 99 ASN N N 15 115.920 0.3 . 1 . . . . A 136 ASN N . 18793 1 577 . 1 1 100 100 TRP H H 1 8.475 0.020 . 1 . . . . A 137 TRP H . 18793 1 578 . 1 1 100 100 TRP HE1 H 1 10.126 0.020 . 1 . . . . A 137 TRP HE1 . 18793 1 579 . 1 1 100 100 TRP C C 13 178.161 0.3 . 1 . . . . A 137 TRP C . 18793 1 580 . 1 1 100 100 TRP CA C 13 60.110 0.3 . 1 . . . . A 137 TRP CA . 18793 1 581 . 1 1 100 100 TRP CB C 13 29.667 0.3 . 1 . . . . A 137 TRP CB . 18793 1 582 . 1 1 100 100 TRP N N 15 118.802 0.3 . 1 . . . . A 137 TRP N . 18793 1 583 . 1 1 100 100 TRP NE1 N 15 128.868 0.3 . 1 . . . . A 137 TRP NE1 . 18793 1 584 . 1 1 101 101 GLY H H 1 8.354 0.020 . 1 . . . . A 138 GLY H . 18793 1 585 . 1 1 101 101 GLY C C 13 175.585 0.3 . 1 . . . . A 138 GLY C . 18793 1 586 . 1 1 101 101 GLY CA C 13 47.111 0.3 . 1 . . . . A 138 GLY CA . 18793 1 587 . 1 1 101 101 GLY N N 15 107.364 0.3 . 1 . . . . A 138 GLY N . 18793 1 588 . 1 1 102 102 ARG H H 1 8.316 0.020 . 1 . . . . A 139 ARG H . 18793 1 589 . 1 1 102 102 ARG C C 13 177.280 0.3 . 1 . . . . A 139 ARG C . 18793 1 590 . 1 1 102 102 ARG CA C 13 58.332 0.3 . 1 . . . . A 139 ARG CA . 18793 1 591 . 1 1 102 102 ARG CB C 13 30.001 0.3 . 1 . . . . A 139 ARG CB . 18793 1 592 . 1 1 102 102 ARG N N 15 121.265 0.3 . 1 . . . . A 139 ARG N . 18793 1 593 . 1 1 103 103 ILE H H 1 7.542 0.020 . 1 . . . . A 140 ILE H . 18793 1 594 . 1 1 103 103 ILE HD11 H 1 0.223 0.020 . 1 . . . . A 140 ILE HD11 . 18793 1 595 . 1 1 103 103 ILE HD12 H 1 0.223 0.020 . 1 . . . . A 140 ILE HD12 . 18793 1 596 . 1 1 103 103 ILE HD13 H 1 0.223 0.020 . 1 . . . . A 140 ILE HD13 . 18793 1 597 . 1 1 103 103 ILE C C 13 175.831 0.3 . 1 . . . . A 140 ILE C . 18793 1 598 . 1 1 103 103 ILE CA C 13 66.221 0.3 . 1 . . . . A 140 ILE CA . 18793 1 599 . 1 1 103 103 ILE CB C 13 36.228 0.3 . 1 . . . . A 140 ILE CB . 18793 1 600 . 1 1 103 103 ILE CD1 C 13 13.464 0.3 . 1 . . . . A 140 ILE CD1 . 18793 1 601 . 1 1 103 103 ILE N N 15 120.330 0.3 . 1 . . . . A 140 ILE N . 18793 1 602 . 1 1 104 104 VAL H H 1 7.951 0.020 . 1 . . . . A 141 VAL H . 18793 1 603 . 1 1 104 104 VAL HG11 H 1 0.373 0.020 . 2 . . . . A 141 VAL HG11 . 18793 1 604 . 1 1 104 104 VAL HG12 H 1 0.373 0.020 . 2 . . . . A 141 VAL HG12 . 18793 1 605 . 1 1 104 104 VAL HG13 H 1 0.373 0.020 . 2 . . . . A 141 VAL HG13 . 18793 1 606 . 1 1 104 104 VAL HG21 H 1 0.940 0.020 . 2 . . . . A 141 VAL HG21 . 18793 1 607 . 1 1 104 104 VAL HG22 H 1 0.940 0.020 . 2 . . . . A 141 VAL HG22 . 18793 1 608 . 1 1 104 104 VAL HG23 H 1 0.940 0.020 . 2 . . . . A 141 VAL HG23 . 18793 1 609 . 1 1 104 104 VAL C C 13 177.178 0.3 . 1 . . . . A 141 VAL C . 18793 1 610 . 1 1 104 104 VAL CA C 13 66.281 0.3 . 1 . . . . A 141 VAL CA . 18793 1 611 . 1 1 104 104 VAL CB C 13 30.557 0.3 . 1 . . . . A 141 VAL CB . 18793 1 612 . 1 1 104 104 VAL CG1 C 13 24.917 0.3 . 1 . . . . A 141 VAL CG1 . 18793 1 613 . 1 1 104 104 VAL CG2 C 13 22.365 0.3 . 1 . . . . A 141 VAL CG2 . 18793 1 614 . 1 1 104 104 VAL N N 15 119.232 0.3 . 1 . . . . A 141 VAL N . 18793 1 615 . 1 1 105 105 ALA H H 1 8.033 0.020 . 1 . . . . A 142 ALA H . 18793 1 616 . 1 1 105 105 ALA C C 13 180.263 0.3 . 1 . . . . A 142 ALA C . 18793 1 617 . 1 1 105 105 ALA CA C 13 58.397 0.3 . 1 . . . . A 142 ALA CA . 18793 1 618 . 1 1 105 105 ALA CB C 13 17.182 0.3 . 1 . . . . A 142 ALA CB . 18793 1 619 . 1 1 105 105 ALA N N 15 121.190 0.3 . 1 . . . . A 142 ALA N . 18793 1 620 . 1 1 106 106 PHE H H 1 7.317 0.020 . 1 . . . . A 143 PHE H . 18793 1 621 . 1 1 106 106 PHE C C 13 176.369 0.3 . 1 . . . . A 143 PHE C . 18793 1 622 . 1 1 106 106 PHE CA C 13 59.281 0.3 . 1 . . . . A 143 PHE CA . 18793 1 623 . 1 1 106 106 PHE CB C 13 26.801 0.3 . 1 . . . . A 143 PHE CB . 18793 1 624 . 1 1 106 106 PHE N N 15 118.706 0.3 . 1 . . . . A 143 PHE N . 18793 1 625 . 1 1 107 107 PHE H H 1 7.982 0.020 . 1 . . . . A 144 PHE H . 18793 1 626 . 1 1 107 107 PHE C C 13 177.504 0.3 . 1 . . . . A 144 PHE C . 18793 1 627 . 1 1 107 107 PHE CA C 13 55.156 0.3 . 1 . . . . A 144 PHE CA . 18793 1 628 . 1 1 107 107 PHE CB C 13 36.861 0.3 . 1 . . . . A 144 PHE CB . 18793 1 629 . 1 1 107 107 PHE N N 15 120.457 0.3 . 1 . . . . A 144 PHE N . 18793 1 630 . 1 1 108 108 SER H H 1 8.478 0.020 . 1 . . . . A 145 SER H . 18793 1 631 . 1 1 108 108 SER C C 13 177.163 0.3 . 1 . . . . A 145 SER C . 18793 1 632 . 1 1 108 108 SER CA C 13 59.060 0.3 . 1 . . . . A 145 SER CA . 18793 1 633 . 1 1 108 108 SER CB C 13 58.671 0.3 . 1 . . . . A 145 SER CB . 18793 1 634 . 1 1 108 108 SER N N 15 121.615 0.3 . 1 . . . . A 145 SER N . 18793 1 635 . 1 1 109 109 PHE H H 1 7.904 0.020 . 1 . . . . A 146 PHE H . 18793 1 636 . 1 1 109 109 PHE C C 13 177.163 0.3 . 1 . . . . A 146 PHE C . 18793 1 637 . 1 1 109 109 PHE CA C 13 59.796 0.3 . 1 . . . . A 146 PHE CA . 18793 1 638 . 1 1 109 109 PHE CB C 13 35.175 0.3 . 1 . . . . A 146 PHE CB . 18793 1 639 . 1 1 109 109 PHE N N 15 120.267 0.3 . 1 . . . . A 146 PHE N . 18793 1 640 . 1 1 110 110 GLY H H 1 8.001 0.020 . 1 . . . . A 147 GLY H . 18793 1 641 . 1 1 110 110 GLY C C 13 176.195 0.3 . 1 . . . . A 147 GLY C . 18793 1 642 . 1 1 110 110 GLY CA C 13 46.889 0.3 . 1 . . . . A 147 GLY CA . 18793 1 643 . 1 1 110 110 GLY N N 15 107.421 0.3 . 1 . . . . A 147 GLY N . 18793 1 644 . 1 1 111 111 GLY H H 1 8.865 0.020 . 1 . . . . A 148 GLY H . 18793 1 645 . 1 1 111 111 GLY C C 13 173.991 0.3 . 1 . . . . A 148 GLY C . 18793 1 646 . 1 1 111 111 GLY CA C 13 46.777 0.3 . 1 . . . . A 148 GLY CA . 18793 1 647 . 1 1 111 111 GLY N N 15 107.774 0.3 . 1 . . . . A 148 GLY N . 18793 1 648 . 1 1 112 112 ALA H H 1 8.104 0.020 . 1 . . . . A 149 ALA H . 18793 1 649 . 1 1 112 112 ALA C C 13 179.449 0.3 . 1 . . . . A 149 ALA C . 18793 1 650 . 1 1 112 112 ALA CA C 13 56.998 0.3 . 1 . . . . A 149 ALA CA . 18793 1 651 . 1 1 112 112 ALA CB C 13 17.335 0.3 . 1 . . . . A 149 ALA CB . 18793 1 652 . 1 1 112 112 ALA N N 15 124.916 0.3 . 1 . . . . A 149 ALA N . 18793 1 653 . 1 1 113 113 LEU H H 1 8.056 0.020 . 1 . . . . A 150 LEU H . 18793 1 654 . 1 1 113 113 LEU HD11 H 1 0.356 0.020 . 2 . . . . A 150 LEU HD11 . 18793 1 655 . 1 1 113 113 LEU HD12 H 1 0.356 0.020 . 2 . . . . A 150 LEU HD12 . 18793 1 656 . 1 1 113 113 LEU HD13 H 1 0.356 0.020 . 2 . . . . A 150 LEU HD13 . 18793 1 657 . 1 1 113 113 LEU HD21 H 1 0.876 0.020 . 2 . . . . A 150 LEU HD21 . 18793 1 658 . 1 1 113 113 LEU HD22 H 1 0.876 0.020 . 2 . . . . A 150 LEU HD22 . 18793 1 659 . 1 1 113 113 LEU HD23 H 1 0.876 0.020 . 2 . . . . A 150 LEU HD23 . 18793 1 660 . 1 1 113 113 LEU C C 13 175.578 0.3 . 1 . . . . A 150 LEU C . 18793 1 661 . 1 1 113 113 LEU CA C 13 56.556 0.3 . 1 . . . . A 150 LEU CA . 18793 1 662 . 1 1 113 113 LEU CB C 13 40.132 0.3 . 1 . . . . A 150 LEU CB . 18793 1 663 . 1 1 113 113 LEU CD1 C 13 21.504 0.3 . 1 . . . . A 150 LEU CD1 . 18793 1 664 . 1 1 113 113 LEU CD2 C 13 22.945 0.3 . 1 . . . . A 150 LEU CD2 . 18793 1 665 . 1 1 113 113 LEU N N 15 119.236 0.3 . 1 . . . . A 150 LEU N . 18793 1 666 . 1 1 114 114 CYS H H 1 7.940 0.020 . 1 . . . . A 151 CYS H . 18793 1 667 . 1 1 114 114 CYS HG H 1 3.549 0.020 . 1 . . . . A 151 CYS HG . 18793 1 668 . 1 1 114 114 CYS C C 13 178.981 0.3 . 1 . . . . A 151 CYS C . 18793 1 669 . 1 1 114 114 CYS CA C 13 56.335 0.3 . 1 . . . . A 151 CYS CA . 18793 1 670 . 1 1 114 114 CYS CB C 13 28.937 0.3 . 1 . . . . A 151 CYS CB . 18793 1 671 . 1 1 114 114 CYS N N 15 120.751 0.3 . 1 . . . . A 151 CYS N . 18793 1 672 . 1 1 115 115 VAL H H 1 8.187 0.020 . 1 . . . . A 152 VAL H . 18793 1 673 . 1 1 115 115 VAL HG11 H 1 0.703 0.020 . 2 . . . . A 152 VAL HG11 . 18793 1 674 . 1 1 115 115 VAL HG12 H 1 0.703 0.020 . 2 . . . . A 152 VAL HG12 . 18793 1 675 . 1 1 115 115 VAL HG13 H 1 0.703 0.020 . 2 . . . . A 152 VAL HG13 . 18793 1 676 . 1 1 115 115 VAL HG21 H 1 1.099 0.020 . 2 . . . . A 152 VAL HG21 . 18793 1 677 . 1 1 115 115 VAL HG22 H 1 1.099 0.020 . 2 . . . . A 152 VAL HG22 . 18793 1 678 . 1 1 115 115 VAL HG23 H 1 1.099 0.020 . 2 . . . . A 152 VAL HG23 . 18793 1 679 . 1 1 115 115 VAL C C 13 177.208 0.3 . 1 . . . . A 152 VAL C . 18793 1 680 . 1 1 115 115 VAL CA C 13 62.010 0.3 . 1 . . . . A 152 VAL CA . 18793 1 681 . 1 1 115 115 VAL CB C 13 28.495 0.3 . 1 . . . . A 152 VAL CB . 18793 1 682 . 1 1 115 115 VAL CG1 C 13 22.142 0.3 . 1 . . . . A 152 VAL CG1 . 18793 1 683 . 1 1 115 115 VAL CG2 C 13 22.142 0.3 . 1 . . . . A 152 VAL CG2 . 18793 1 684 . 1 1 115 115 VAL N N 15 118.050 0.3 . 1 . . . . A 152 VAL N . 18793 1 685 . 1 1 116 116 GLU H H 1 8.133 0.020 . 1 . . . . A 153 GLU H . 18793 1 686 . 1 1 116 116 GLU C C 13 178.004 0.3 . 1 . . . . A 153 GLU C . 18793 1 687 . 1 1 116 116 GLU CA C 13 57.513 0.3 . 1 . . . . A 153 GLU CA . 18793 1 688 . 1 1 116 116 GLU CB C 13 27.980 0.3 . 1 . . . . A 153 GLU CB . 18793 1 689 . 1 1 116 116 GLU N N 15 120.041 0.3 . 1 . . . . A 153 GLU N . 18793 1 690 . 1 1 117 117 SER H H 1 7.614 0.020 . 1 . . . . A 154 SER H . 18793 1 691 . 1 1 117 117 SER C C 13 175.178 0.3 . 1 . . . . A 154 SER C . 18793 1 692 . 1 1 117 117 SER CA C 13 62.332 0.3 . 1 . . . . A 154 SER CA . 18793 1 693 . 1 1 117 117 SER CB C 13 60.777 0.3 . 1 . . . . A 154 SER CB . 18793 1 694 . 1 1 117 117 SER N N 15 114.216 0.3 . 1 . . . . A 154 SER N . 18793 1 695 . 1 1 118 118 VAL H H 1 7.225 0.020 . 1 . . . . A 155 VAL H . 18793 1 696 . 1 1 118 118 VAL HG11 H 1 -0.058 0.020 . 2 . . . . A 155 VAL HG11 . 18793 1 697 . 1 1 118 118 VAL HG12 H 1 -0.058 0.020 . 2 . . . . A 155 VAL HG12 . 18793 1 698 . 1 1 118 118 VAL HG13 H 1 -0.058 0.020 . 2 . . . . A 155 VAL HG13 . 18793 1 699 . 1 1 118 118 VAL HG21 H 1 0.104 0.020 . 2 . . . . A 155 VAL HG21 . 18793 1 700 . 1 1 118 118 VAL HG22 H 1 0.104 0.020 . 2 . . . . A 155 VAL HG22 . 18793 1 701 . 1 1 118 118 VAL HG23 H 1 0.104 0.020 . 2 . . . . A 155 VAL HG23 . 18793 1 702 . 1 1 118 118 VAL C C 13 179.076 0.3 . 1 . . . . A 155 VAL C . 18793 1 703 . 1 1 118 118 VAL CA C 13 65.776 0.3 . 1 . . . . A 155 VAL CA . 18793 1 704 . 1 1 118 118 VAL CB C 13 30.112 0.3 . 1 . . . . A 155 VAL CB . 18793 1 705 . 1 1 118 118 VAL CG1 C 13 19.392 0.3 . 1 . . . . A 155 VAL CG1 . 18793 1 706 . 1 1 118 118 VAL CG2 C 13 23.163 0.3 . 1 . . . . A 155 VAL CG2 . 18793 1 707 . 1 1 118 118 VAL N N 15 121.176 0.3 . 1 . . . . A 155 VAL N . 18793 1 708 . 1 1 119 119 ASP H H 1 8.194 0.020 . 1 . . . . A 156 ASP H . 18793 1 709 . 1 1 119 119 ASP C C 13 177.551 0.3 . 1 . . . . A 156 ASP C . 18793 1 710 . 1 1 119 119 ASP CA C 13 56.555 0.3 . 1 . . . . A 156 ASP CA . 18793 1 711 . 1 1 119 119 ASP CB C 13 40.222 0.3 . 1 . . . . A 156 ASP CB . 18793 1 712 . 1 1 119 119 ASP N N 15 122.742 0.3 . 1 . . . . A 156 ASP N . 18793 1 713 . 1 1 120 120 LYS H H 1 7.573 0.020 . 1 . . . . A 157 LYS H . 18793 1 714 . 1 1 120 120 LYS C C 13 174.974 0.3 . 1 . . . . A 157 LYS C . 18793 1 715 . 1 1 120 120 LYS CA C 13 53.888 0.3 . 1 . . . . A 157 LYS CA . 18793 1 716 . 1 1 120 120 LYS CB C 13 29.890 0.3 . 1 . . . . A 157 LYS CB . 18793 1 717 . 1 1 120 120 LYS N N 15 115.428 0.3 . 1 . . . . A 157 LYS N . 18793 1 718 . 1 1 121 121 GLU H H 1 7.714 0.020 . 1 . . . . A 158 GLU H . 18793 1 719 . 1 1 121 121 GLU C C 13 175.822 0.3 . 1 . . . . A 158 GLU C . 18793 1 720 . 1 1 121 121 GLU CA C 13 56.777 0.3 . 1 . . . . A 158 GLU CA . 18793 1 721 . 1 1 121 121 GLU CB C 13 24.890 0.3 . 1 . . . . A 158 GLU CB . 18793 1 722 . 1 1 121 121 GLU N N 15 114.162 0.3 . 1 . . . . A 158 GLU N . 18793 1 723 . 1 1 122 122 MET H H 1 8.573 0.020 . 1 . . . . A 159 MET H . 18793 1 724 . 1 1 122 122 MET C C 13 176.635 0.3 . 1 . . . . A 159 MET C . 18793 1 725 . 1 1 122 122 MET CA C 13 52.666 0.3 . 1 . . . . A 159 MET CA . 18793 1 726 . 1 1 122 122 MET CB C 13 31.001 0.3 . 1 . . . . A 159 MET CB . 18793 1 727 . 1 1 122 122 MET N N 15 119.824 0.3 . 1 . . . . A 159 MET N . 18793 1 728 . 1 1 123 123 GLN H H 1 8.687 0.020 . 1 . . . . A 160 GLN H . 18793 1 729 . 1 1 123 123 GLN C C 13 177.042 0.3 . 1 . . . . A 160 GLN C . 18793 1 730 . 1 1 123 123 GLN CA C 13 59.110 0.3 . 1 . . . . A 160 GLN CA . 18793 1 731 . 1 1 123 123 GLN CB C 13 26.223 0.3 . 1 . . . . A 160 GLN CB . 18793 1 732 . 1 1 123 123 GLN N N 15 119.524 0.3 . 1 . . . . A 160 GLN N . 18793 1 733 . 1 1 124 124 VAL H H 1 7.821 0.020 . 1 . . . . A 161 VAL H . 18793 1 734 . 1 1 124 124 VAL HG11 H 1 0.803 0.020 . 2 . . . . A 161 VAL HG11 . 18793 1 735 . 1 1 124 124 VAL HG12 H 1 0.803 0.020 . 2 . . . . A 161 VAL HG12 . 18793 1 736 . 1 1 124 124 VAL HG13 H 1 0.803 0.020 . 2 . . . . A 161 VAL HG13 . 18793 1 737 . 1 1 124 124 VAL HG21 H 1 0.799 0.020 . 2 . . . . A 161 VAL HG21 . 18793 1 738 . 1 1 124 124 VAL HG22 H 1 0.799 0.020 . 2 . . . . A 161 VAL HG22 . 18793 1 739 . 1 1 124 124 VAL HG23 H 1 0.799 0.020 . 2 . . . . A 161 VAL HG23 . 18793 1 740 . 1 1 124 124 VAL C C 13 175.279 0.3 . 1 . . . . A 161 VAL C . 18793 1 741 . 1 1 124 124 VAL CA C 13 62.665 0.3 . 1 . . . . A 161 VAL CA . 18793 1 742 . 1 1 124 124 VAL CB C 13 30.001 0.3 . 1 . . . . A 161 VAL CB . 18793 1 743 . 1 1 124 124 VAL CG1 C 13 19.939 0.3 . 1 . . . . A 161 VAL CG1 . 18793 1 744 . 1 1 124 124 VAL CG2 C 13 19.313 0.3 . 1 . . . . A 161 VAL CG2 . 18793 1 745 . 1 1 124 124 VAL N N 15 118.460 0.3 . 1 . . . . A 161 VAL N . 18793 1 746 . 1 1 125 125 LEU H H 1 7.832 0.020 . 1 . . . . A 162 LEU H . 18793 1 747 . 1 1 125 125 LEU HD11 H 1 0.343 0.020 . 2 . . . . A 162 LEU HD11 . 18793 1 748 . 1 1 125 125 LEU HD12 H 1 0.343 0.020 . 2 . . . . A 162 LEU HD12 . 18793 1 749 . 1 1 125 125 LEU HD13 H 1 0.343 0.020 . 2 . . . . A 162 LEU HD13 . 18793 1 750 . 1 1 125 125 LEU HD21 H 1 0.811 0.020 . 2 . . . . A 162 LEU HD21 . 18793 1 751 . 1 1 125 125 LEU HD22 H 1 0.811 0.020 . 2 . . . . A 162 LEU HD22 . 18793 1 752 . 1 1 125 125 LEU HD23 H 1 0.811 0.020 . 2 . . . . A 162 LEU HD23 . 18793 1 753 . 1 1 125 125 LEU C C 13 177.788 0.3 . 1 . . . . A 162 LEU C . 18793 1 754 . 1 1 125 125 LEU CA C 13 55.110 0.3 . 1 . . . . A 162 LEU CA . 18793 1 755 . 1 1 125 125 LEU CB C 13 40.222 0.3 . 1 . . . . A 162 LEU CB . 18793 1 756 . 1 1 125 125 LEU CD1 C 13 22.737 0.3 . 1 . . . . A 162 LEU CD1 . 18793 1 757 . 1 1 125 125 LEU CD2 C 13 22.811 0.3 . 1 . . . . A 162 LEU CD2 . 18793 1 758 . 1 1 125 125 LEU N N 15 116.533 0.3 . 1 . . . . A 162 LEU N . 18793 1 759 . 1 1 126 126 VAL H H 1 7.301 0.020 . 1 . . . . A 163 VAL H . 18793 1 760 . 1 1 126 126 VAL HG11 H 1 0.352 0.020 . 2 . . . . A 163 VAL HG11 . 18793 1 761 . 1 1 126 126 VAL HG12 H 1 0.352 0.020 . 2 . . . . A 163 VAL HG12 . 18793 1 762 . 1 1 126 126 VAL HG13 H 1 0.352 0.020 . 2 . . . . A 163 VAL HG13 . 18793 1 763 . 1 1 126 126 VAL HG21 H 1 0.811 0.020 . 2 . . . . A 163 VAL HG21 . 18793 1 764 . 1 1 126 126 VAL HG22 H 1 0.811 0.020 . 2 . . . . A 163 VAL HG22 . 18793 1 765 . 1 1 126 126 VAL HG23 H 1 0.811 0.020 . 2 . . . . A 163 VAL HG23 . 18793 1 766 . 1 1 126 126 VAL C C 13 176.703 0.3 . 1 . . . . A 163 VAL C . 18793 1 767 . 1 1 126 126 VAL CA C 13 67.221 0.3 . 1 . . . . A 163 VAL CA . 18793 1 768 . 1 1 126 126 VAL CB C 13 29.667 0.3 . 1 . . . . A 163 VAL CB . 18793 1 769 . 1 1 126 126 VAL CG1 C 13 21.224 0.3 . 1 . . . . A 163 VAL CG1 . 18793 1 770 . 1 1 126 126 VAL CG2 C 13 19.667 0.3 . 1 . . . . A 163 VAL CG2 . 18793 1 771 . 1 1 126 126 VAL N N 15 119.976 0.3 . 1 . . . . A 163 VAL N . 18793 1 772 . 1 1 127 127 SER H H 1 8.409 0.020 . 1 . . . . A 164 SER H . 18793 1 773 . 1 1 127 127 SER C C 13 177.042 0.3 . 1 . . . . A 164 SER C . 18793 1 774 . 1 1 127 127 SER CA C 13 59.888 0.3 . 1 . . . . A 164 SER CA . 18793 1 775 . 1 1 127 127 SER CB C 13 61.443 0.3 . 1 . . . . A 164 SER CB . 18793 1 776 . 1 1 127 127 SER N N 15 110.939 0.3 . 1 . . . . A 164 SER N . 18793 1 777 . 1 1 128 128 ARG H H 1 6.440 0.020 . 1 . . . . A 165 ARG H . 18793 1 778 . 1 1 128 128 ARG C C 13 174.907 0.3 . 1 . . . . A 165 ARG C . 18793 1 779 . 1 1 128 128 ARG CA C 13 57.443 0.3 . 1 . . . . A 165 ARG CA . 18793 1 780 . 1 1 128 128 ARG CB C 13 27.556 0.3 . 1 . . . . A 165 ARG CB . 18793 1 781 . 1 1 128 128 ARG N N 15 122.131 0.3 . 1 . . . . A 165 ARG N . 18793 1 782 . 1 1 129 129 ILE H H 1 7.954 0.020 . 1 . . . . A 166 ILE H . 18793 1 783 . 1 1 129 129 ILE HD11 H 1 0.455 0.020 . 1 . . . . A 166 ILE HD11 . 18793 1 784 . 1 1 129 129 ILE HD12 H 1 0.455 0.020 . 1 . . . . A 166 ILE HD12 . 18793 1 785 . 1 1 129 129 ILE HD13 H 1 0.455 0.020 . 1 . . . . A 166 ILE HD13 . 18793 1 786 . 1 1 129 129 ILE C C 13 177.686 0.3 . 1 . . . . A 166 ILE C . 18793 1 787 . 1 1 129 129 ILE CA C 13 63.554 0.3 . 1 . . . . A 166 ILE CA . 18793 1 788 . 1 1 129 129 ILE CB C 13 36.445 0.3 . 1 . . . . A 166 ILE CB . 18793 1 789 . 1 1 129 129 ILE CD1 C 13 14.475 0.3 . 1 . . . . A 166 ILE CD1 . 18793 1 790 . 1 1 129 129 ILE N N 15 118.712 0.3 . 1 . . . . A 166 ILE N . 18793 1 791 . 1 1 130 130 ALA H H 1 7.316 0.020 . 1 . . . . A 167 ALA H . 18793 1 792 . 1 1 130 130 ALA C C 13 178.975 0.3 . 1 . . . . A 167 ALA C . 18793 1 793 . 1 1 130 130 ALA CA C 13 53.777 0.3 . 1 . . . . A 167 ALA CA . 18793 1 794 . 1 1 130 130 ALA CB C 13 16.779 0.3 . 1 . . . . A 167 ALA CB . 18793 1 795 . 1 1 130 130 ALA N N 15 118.576 0.3 . 1 . . . . A 167 ALA N . 18793 1 796 . 1 1 131 131 ALA H H 1 6.983 0.020 . 1 . . . . A 168 ALA H . 18793 1 797 . 1 1 131 131 ALA C C 13 180.534 0.3 . 1 . . . . A 168 ALA C . 18793 1 798 . 1 1 131 131 ALA CA C 13 54.110 0.3 . 1 . . . . A 168 ALA CA . 18793 1 799 . 1 1 131 131 ALA CB C 13 16.446 0.3 . 1 . . . . A 168 ALA CB . 18793 1 800 . 1 1 131 131 ALA N N 15 120.860 0.3 . 1 . . . . A 168 ALA N . 18793 1 801 . 1 1 132 132 TRP H H 1 8.779 0.020 . 1 . . . . A 169 TRP H . 18793 1 802 . 1 1 132 132 TRP HE1 H 1 9.750 0.020 . 1 . . . . A 169 TRP HE1 . 18793 1 803 . 1 1 132 132 TRP C C 13 181.239 0.3 . 1 . . . . A 169 TRP C . 18793 1 804 . 1 1 132 132 TRP CA C 13 56.999 0.3 . 1 . . . . A 169 TRP CA . 18793 1 805 . 1 1 132 132 TRP CB C 13 26.890 0.3 . 1 . . . . A 169 TRP CB . 18793 1 806 . 1 1 132 132 TRP N N 15 122.131 0.3 . 1 . . . . A 169 TRP N . 18793 1 807 . 1 1 132 132 TRP NE1 N 15 128.167 0.3 . 1 . . . . A 169 TRP NE1 . 18793 1 808 . 1 1 133 133 MET H H 1 8.856 0.020 . 1 . . . . A 170 MET H . 18793 1 809 . 1 1 133 133 MET C C 13 177.619 0.3 . 1 . . . . A 170 MET C . 18793 1 810 . 1 1 133 133 MET CA C 13 58.618 0.3 . 1 . . . . A 170 MET CA . 18793 1 811 . 1 1 133 133 MET CB C 13 33.201 0.3 . 1 . . . . A 170 MET CB . 18793 1 812 . 1 1 133 133 MET N N 15 117.521 0.3 . 1 . . . . A 170 MET N . 18793 1 813 . 1 1 134 134 ALA H H 1 8.459 0.020 . 1 . . . . A 171 ALA H . 18793 1 814 . 1 1 134 134 ALA C C 13 178.941 0.3 . 1 . . . . A 171 ALA C . 18793 1 815 . 1 1 134 134 ALA CA C 13 55.221 0.3 . 1 . . . . A 171 ALA CA . 18793 1 816 . 1 1 134 134 ALA CB C 13 16.113 0.3 . 1 . . . . A 171 ALA CB . 18793 1 817 . 1 1 134 134 ALA N N 15 122.133 0.3 . 1 . . . . A 171 ALA N . 18793 1 818 . 1 1 135 135 THR H H 1 8.603 0.020 . 1 . . . . A 172 THR H . 18793 1 819 . 1 1 135 135 THR C C 13 175.294 0.3 . 1 . . . . A 172 THR C . 18793 1 820 . 1 1 135 135 THR CA C 13 66.110 0.3 . 1 . . . . A 172 THR CA . 18793 1 821 . 1 1 135 135 THR CB C 13 68.221 0.3 . 1 . . . . A 172 THR CB . 18793 1 822 . 1 1 135 135 THR N N 15 115.507 0.3 . 1 . . . . A 172 THR N . 18793 1 823 . 1 1 136 136 TYR H H 1 8.136 0.020 . 1 . . . . A 173 TYR H . 18793 1 824 . 1 1 136 136 TYR C C 13 178.975 0.3 . 1 . . . . A 173 TYR C . 18793 1 825 . 1 1 136 136 TYR CA C 13 62.443 0.3 . 1 . . . . A 173 TYR CA . 18793 1 826 . 1 1 136 136 TYR CB C 13 37.445 0.3 . 1 . . . . A 173 TYR CB . 18793 1 827 . 1 1 136 136 TYR N N 15 123.303 0.3 . 1 . . . . A 173 TYR N . 18793 1 828 . 1 1 137 137 LEU H H 1 8.638 0.020 . 1 . . . . A 174 LEU H . 18793 1 829 . 1 1 137 137 LEU HD11 H 1 0.004 0.020 . 2 . . . . A 174 LEU HD11 . 18793 1 830 . 1 1 137 137 LEU HD12 H 1 0.004 0.020 . 2 . . . . A 174 LEU HD12 . 18793 1 831 . 1 1 137 137 LEU HD13 H 1 0.004 0.020 . 2 . . . . A 174 LEU HD13 . 18793 1 832 . 1 1 137 137 LEU HD21 H 1 1.055 0.020 . 2 . . . . A 174 LEU HD21 . 18793 1 833 . 1 1 137 137 LEU HD22 H 1 1.055 0.020 . 2 . . . . A 174 LEU HD22 . 18793 1 834 . 1 1 137 137 LEU HD23 H 1 1.055 0.020 . 2 . . . . A 174 LEU HD23 . 18793 1 835 . 1 1 137 137 LEU C C 13 177.449 0.3 . 1 . . . . A 174 LEU C . 18793 1 836 . 1 1 137 137 LEU CA C 13 57.999 0.3 . 1 . . . . A 174 LEU CA . 18793 1 837 . 1 1 137 137 LEU CB C 13 41.222 0.3 . 1 . . . . A 174 LEU CB . 18793 1 838 . 1 1 137 137 LEU CD1 C 13 23.069 0.3 . 1 . . . . A 174 LEU CD1 . 18793 1 839 . 1 1 137 137 LEU CD2 C 13 23.198 0.3 . 1 . . . . A 174 LEU CD2 . 18793 1 840 . 1 1 137 137 LEU N N 15 119.906 0.3 . 1 . . . . A 174 LEU N . 18793 1 841 . 1 1 138 138 ASN H H 1 8.340 0.020 . 1 . . . . A 175 ASN H . 18793 1 842 . 1 1 138 138 ASN C C 13 175.991 0.3 . 1 . . . . A 175 ASN C . 18793 1 843 . 1 1 138 138 ASN CA C 13 55.888 0.3 . 1 . . . . A 175 ASN CA . 18793 1 844 . 1 1 138 138 ASN CB C 13 38.111 0.3 . 1 . . . . A 175 ASN CB . 18793 1 845 . 1 1 138 138 ASN N N 15 117.150 0.3 . 1 . . . . A 175 ASN N . 18793 1 846 . 1 1 139 139 ASP H H 1 8.420 0.020 . 1 . . . . A 176 ASP H . 18793 1 847 . 1 1 139 139 ASP C C 13 177.178 0.3 . 1 . . . . A 176 ASP C . 18793 1 848 . 1 1 139 139 ASP CA C 13 55.444 0.3 . 1 . . . . A 176 ASP CA . 18793 1 849 . 1 1 139 139 ASP CB C 13 39.667 0.3 . 1 . . . . A 176 ASP CB . 18793 1 850 . 1 1 139 139 ASP N N 15 115.374 0.3 . 1 . . . . A 176 ASP N . 18793 1 851 . 1 1 140 140 HIS H H 1 7.850 0.020 . 1 . . . . A 177 HIS H . 18793 1 852 . 1 1 140 140 HIS C C 13 175.144 0.3 . 1 . . . . A 177 HIS C . 18793 1 853 . 1 1 140 140 HIS CA C 13 55.221 0.3 . 1 . . . . A 177 HIS CA . 18793 1 854 . 1 1 140 140 HIS CB C 13 29.556 0.3 . 1 . . . . A 177 HIS CB . 18793 1 855 . 1 1 140 140 HIS N N 15 113.458 0.3 . 1 . . . . A 177 HIS N . 18793 1 856 . 1 1 141 141 LEU H H 1 7.082 0.020 . 1 . . . . A 178 LEU H . 18793 1 857 . 1 1 141 141 LEU HD11 H 1 -0.394 0.020 . 2 . . . . A 178 LEU HD11 . 18793 1 858 . 1 1 141 141 LEU HD12 H 1 -0.394 0.020 . 2 . . . . A 178 LEU HD12 . 18793 1 859 . 1 1 141 141 LEU HD13 H 1 -0.394 0.020 . 2 . . . . A 178 LEU HD13 . 18793 1 860 . 1 1 141 141 LEU HD21 H 1 1.063 0.020 . 2 . . . . A 178 LEU HD21 . 18793 1 861 . 1 1 141 141 LEU HD22 H 1 1.063 0.020 . 2 . . . . A 178 LEU HD22 . 18793 1 862 . 1 1 141 141 LEU HD23 H 1 1.063 0.020 . 2 . . . . A 178 LEU HD23 . 18793 1 863 . 1 1 141 141 LEU C C 13 176.432 0.3 . 1 . . . . A 178 LEU C . 18793 1 864 . 1 1 141 141 LEU CA C 13 55.332 0.3 . 1 . . . . A 178 LEU CA . 18793 1 865 . 1 1 141 141 LEU CB C 13 41.444 0.3 . 1 . . . . A 178 LEU CB . 18793 1 866 . 1 1 141 141 LEU CD1 C 13 21.654 0.3 . 1 . . . . A 178 LEU CD1 . 18793 1 867 . 1 1 141 141 LEU CD2 C 13 25.591 0.3 . 1 . . . . A 178 LEU CD2 . 18793 1 868 . 1 1 141 141 LEU N N 15 117.650 0.3 . 1 . . . . A 178 LEU N . 18793 1 869 . 1 1 142 142 GLU H H 1 8.579 0.020 . 1 . . . . A 179 GLU H . 18793 1 870 . 1 1 142 142 GLU C C 13 173.586 0.3 . 1 . . . . A 179 GLU C . 18793 1 871 . 1 1 142 142 GLU CA C 13 59.666 0.3 . 1 . . . . A 179 GLU CA . 18793 1 872 . 1 1 142 142 GLU CB C 13 25.779 0.3 . 1 . . . . A 179 GLU CB . 18793 1 873 . 1 1 142 142 GLU N N 15 121.897 0.3 . 1 . . . . A 179 GLU N . 18793 1 874 . 1 1 144 144 TRP H H 1 6.937 0.020 . 1 . . . . A 181 TRP H . 18793 1 875 . 1 1 144 144 TRP HE1 H 1 9.451 0.020 . 1 . . . . A 181 TRP HE1 . 18793 1 876 . 1 1 144 144 TRP C C 13 178.907 0.3 . 1 . . . . A 181 TRP C . 18793 1 877 . 1 1 144 144 TRP CA C 13 60.999 0.3 . 1 . . . . A 181 TRP CA . 18793 1 878 . 1 1 144 144 TRP CB C 13 27.223 0.3 . 1 . . . . A 181 TRP CB . 18793 1 879 . 1 1 144 144 TRP N N 15 118.225 0.3 . 1 . . . . A 181 TRP N . 18793 1 880 . 1 1 144 144 TRP NE1 N 15 129.925 0.3 . 1 . . . . A 181 TRP NE1 . 18793 1 881 . 1 1 145 145 ILE H H 1 8.313 0.020 . 1 . . . . A 182 ILE H . 18793 1 882 . 1 1 145 145 ILE HD11 H 1 0.362 0.020 . 1 . . . . A 182 ILE HD11 . 18793 1 883 . 1 1 145 145 ILE HD12 H 1 0.362 0.020 . 1 . . . . A 182 ILE HD12 . 18793 1 884 . 1 1 145 145 ILE HD13 H 1 0.362 0.020 . 1 . . . . A 182 ILE HD13 . 18793 1 885 . 1 1 145 145 ILE C C 13 178.805 0.3 . 1 . . . . A 182 ILE C . 18793 1 886 . 1 1 145 145 ILE CA C 13 64.740 0.3 . 1 . . . . A 182 ILE CA . 18793 1 887 . 1 1 145 145 ILE CB C 13 36.451 0.3 . 1 . . . . A 182 ILE CB . 18793 1 888 . 1 1 145 145 ILE CD1 C 13 13.118 0.3 . 1 . . . . A 182 ILE CD1 . 18793 1 889 . 1 1 145 145 ILE N N 15 123.186 0.3 . 1 . . . . A 182 ILE N . 18793 1 890 . 1 1 146 146 GLN H H 1 8.388 0.020 . 1 . . . . A 183 GLN H . 18793 1 891 . 1 1 146 146 GLN C C 13 179.042 0.3 . 1 . . . . A 183 GLN C . 18793 1 892 . 1 1 146 146 GLN CA C 13 57.777 0.3 . 1 . . . . A 183 GLN CA . 18793 1 893 . 1 1 146 146 GLN CB C 13 26.779 0.3 . 1 . . . . A 183 GLN CB . 18793 1 894 . 1 1 146 146 GLN N N 15 116.916 0.3 . 1 . . . . A 183 GLN N . 18793 1 895 . 1 1 147 147 GLU H H 1 7.382 0.020 . 1 . . . . A 184 GLU H . 18793 1 896 . 1 1 147 147 GLU C C 13 176.432 0.3 . 1 . . . . A 184 GLU C . 18793 1 897 . 1 1 147 147 GLU CA C 13 56.666 0.3 . 1 . . . . A 184 GLU CA . 18793 1 898 . 1 1 147 147 GLU CB C 13 28.556 0.3 . 1 . . . . A 184 GLU CB . 18793 1 899 . 1 1 147 147 GLU N N 15 119.455 0.3 . 1 . . . . A 184 GLU N . 18793 1 900 . 1 1 148 148 ASN H H 1 7.033 0.020 . 1 . . . . A 185 ASN H . 18793 1 901 . 1 1 148 148 ASN C C 13 173.517 0.3 . 1 . . . . A 185 ASN C . 18793 1 902 . 1 1 148 148 ASN CA C 13 52.444 0.3 . 1 . . . . A 185 ASN CA . 18793 1 903 . 1 1 148 148 ASN CB C 13 36.889 0.3 . 1 . . . . A 185 ASN CB . 18793 1 904 . 1 1 148 148 ASN N N 15 117.528 0.3 . 1 . . . . A 185 ASN N . 18793 1 905 . 1 1 149 149 GLY H H 1 7.332 0.020 . 1 . . . . A 186 GLY H . 18793 1 906 . 1 1 149 149 GLY C C 13 175.551 0.3 . 1 . . . . A 186 GLY C . 18793 1 907 . 1 1 149 149 GLY CA C 13 44.444 0.3 . 1 . . . . A 186 GLY CA . 18793 1 908 . 1 1 149 149 GLY N N 15 105.528 0.3 . 1 . . . . A 186 GLY N . 18793 1 909 . 1 1 150 150 GLY H H 1 8.402 0.020 . 1 . . . . A 187 GLY H . 18793 1 910 . 1 1 150 150 GLY C C 13 172.940 0.3 . 1 . . . . A 187 GLY C . 18793 1 911 . 1 1 150 150 GLY CA C 13 43.333 0.3 . 1 . . . . A 187 GLY CA . 18793 1 912 . 1 1 150 150 GLY N N 15 109.181 0.3 . 1 . . . . A 187 GLY N . 18793 1 913 . 1 1 151 151 TRP H H 1 8.593 0.020 . 1 . . . . A 188 TRP H . 18793 1 914 . 1 1 151 151 TRP HE1 H 1 10.493 0.020 . 1 . . . . A 188 TRP HE1 . 18793 1 915 . 1 1 151 151 TRP C C 13 178.330 0.3 . 1 . . . . A 188 TRP C . 18793 1 916 . 1 1 151 151 TRP CA C 13 59.443 0.3 . 1 . . . . A 188 TRP CA . 18793 1 917 . 1 1 151 151 TRP CB C 13 28.778 0.3 . 1 . . . . A 188 TRP CB . 18793 1 918 . 1 1 151 151 TRP N N 15 118.526 0.3 . 1 . . . . A 188 TRP N . 18793 1 919 . 1 1 151 151 TRP NE1 N 15 129.574 0.3 . 1 . . . . A 188 TRP NE1 . 18793 1 920 . 1 1 152 152 ASP H H 1 8.756 0.020 . 1 . . . . A 189 ASP H . 18793 1 921 . 1 1 152 152 ASP C C 13 179.110 0.3 . 1 . . . . A 189 ASP C . 18793 1 922 . 1 1 152 152 ASP CA C 13 56.666 0.3 . 1 . . . . A 189 ASP CA . 18793 1 923 . 1 1 152 152 ASP CB C 13 39.333 0.3 . 1 . . . . A 189 ASP CB . 18793 1 924 . 1 1 152 152 ASP N N 15 117.854 0.3 . 1 . . . . A 189 ASP N . 18793 1 925 . 1 1 153 153 THR H H 1 7.452 0.020 . 1 . . . . A 190 THR H . 18793 1 926 . 1 1 153 153 THR C C 13 174.771 0.3 . 1 . . . . A 190 THR C . 18793 1 927 . 1 1 153 153 THR CA C 13 65.332 0.3 . 1 . . . . A 190 THR CA . 18793 1 928 . 1 1 153 153 THR CB C 13 67.221 0.3 . 1 . . . . A 190 THR CB . 18793 1 929 . 1 1 153 153 THR N N 15 117.209 0.3 . 1 . . . . A 190 THR N . 18793 1 930 . 1 1 154 154 PHE H H 1 6.386 0.020 . 1 . . . . A 191 PHE H . 18793 1 931 . 1 1 154 154 PHE C C 13 176.296 0.3 . 1 . . . . A 191 PHE C . 18793 1 932 . 1 1 154 154 PHE CA C 13 60.665 0.3 . 1 . . . . A 191 PHE CA . 18793 1 933 . 1 1 154 154 PHE CB C 13 36.667 0.3 . 1 . . . . A 191 PHE CB . 18793 1 934 . 1 1 154 154 PHE N N 15 122.542 0.3 . 1 . . . . A 191 PHE N . 18793 1 935 . 1 1 155 155 VAL H H 1 7.855 0.020 . 1 . . . . A 192 VAL H . 18793 1 936 . 1 1 155 155 VAL HG11 H 1 0.950 0.020 . 1 . . . . A 192 VAL HG11 . 18793 1 937 . 1 1 155 155 VAL HG12 H 1 0.950 0.020 . 1 . . . . A 192 VAL HG12 . 18793 1 938 . 1 1 155 155 VAL HG13 H 1 0.950 0.020 . 1 . . . . A 192 VAL HG13 . 18793 1 939 . 1 1 155 155 VAL C C 13 178.361 0.3 . 1 . . . . A 192 VAL C . 18793 1 940 . 1 1 155 155 VAL CA C 13 65.467 0.3 . 1 . . . . A 192 VAL CA . 18793 1 941 . 1 1 155 155 VAL CB C 13 30.334 0.3 . 1 . . . . A 192 VAL CB . 18793 1 942 . 1 1 155 155 VAL CG1 C 13 21.680 0.3 . 1 . . . . A 192 VAL CG1 . 18793 1 943 . 1 1 155 155 VAL N N 15 118.052 0.3 . 1 . . . . A 192 VAL N . 18793 1 944 . 1 1 156 156 GLU H H 1 7.350 0.020 . 1 . . . . A 193 GLU H . 18793 1 945 . 1 1 156 156 GLU C C 13 177.754 0.3 . 1 . . . . A 193 GLU C . 18793 1 946 . 1 1 156 156 GLU CA C 13 56.221 0.3 . 1 . . . . A 193 GLU CA . 18793 1 947 . 1 1 156 156 GLU CB C 13 27.759 0.3 . 1 . . . . A 193 GLU CB . 18793 1 948 . 1 1 156 156 GLU N N 15 119.747 0.3 . 1 . . . . A 193 GLU N . 18793 1 949 . 1 1 157 157 LEU H H 1 7.560 0.020 . 1 . . . . A 194 LEU H . 18793 1 950 . 1 1 157 157 LEU HD11 H 1 0.727 0.020 . 1 . . . . A 194 LEU HD11 . 18793 1 951 . 1 1 157 157 LEU HD12 H 1 0.727 0.020 . 1 . . . . A 194 LEU HD12 . 18793 1 952 . 1 1 157 157 LEU HD13 H 1 0.727 0.020 . 1 . . . . A 194 LEU HD13 . 18793 1 953 . 1 1 157 157 LEU C C 13 178.108 0.3 . 1 . . . . A 194 LEU C . 18793 1 954 . 1 1 157 157 LEU CA C 13 57.986 0.3 . 1 . . . . A 194 LEU CA . 18793 1 955 . 1 1 157 157 LEU CB C 13 42.000 0.3 . 1 . . . . A 194 LEU CB . 18793 1 956 . 1 1 157 157 LEU CD1 C 13 22.901 0.3 . 1 . . . . A 194 LEU CD1 . 18793 1 957 . 1 1 157 157 LEU N N 15 118.512 0.3 . 1 . . . . A 194 LEU N . 18793 1 958 . 1 1 158 158 TYR H H 1 7.617 0.020 . 1 . . . . A 195 TYR H . 18793 1 959 . 1 1 158 158 TYR C C 13 176.907 0.3 . 1 . . . . A 195 TYR C . 18793 1 960 . 1 1 158 158 TYR CA C 13 58.698 0.3 . 1 . . . . A 195 TYR CA . 18793 1 961 . 1 1 158 158 TYR CB C 13 37.554 0.3 . 1 . . . . A 195 TYR CB . 18793 1 962 . 1 1 158 158 TYR N N 15 114.370 0.3 . 1 . . . . A 195 TYR N . 18793 1 963 . 1 1 159 159 GLY H H 1 7.727 0.020 . 1 . . . . A 196 GLY H . 18793 1 964 . 1 1 159 159 GLY C C 13 173.957 0.3 . 1 . . . . A 196 GLY C . 18793 1 965 . 1 1 159 159 GLY CA C 13 44.889 0.3 . 1 . . . . A 196 GLY CA . 18793 1 966 . 1 1 159 159 GLY N N 15 107.891 0.3 . 1 . . . . A 196 GLY N . 18793 1 967 . 1 1 160 160 ASN H H 1 8.158 0.020 . 1 . . . . A 197 ASN H . 18793 1 968 . 1 1 160 160 ASN C C 13 175.076 0.3 . 1 . . . . A 197 ASN C . 18793 1 969 . 1 1 160 160 ASN CA C 13 52.739 0.3 . 1 . . . . A 197 ASN CA . 18793 1 970 . 1 1 160 160 ASN CB C 13 37.454 0.3 . 1 . . . . A 197 ASN CB . 18793 1 971 . 1 1 160 160 ASN N N 15 119.019 0.3 . 1 . . . . A 197 ASN N . 18793 1 972 . 1 1 161 161 ASN H H 1 8.219 0.020 . 1 . . . . A 198 ASN H . 18793 1 973 . 1 1 161 161 ASN C C 13 175.415 0.3 . 1 . . . . A 198 ASN C . 18793 1 974 . 1 1 161 161 ASN CA C 13 53.221 0.3 . 1 . . . . A 198 ASN CA . 18793 1 975 . 1 1 161 161 ASN CB C 13 37.889 0.3 . 1 . . . . A 198 ASN CB . 18793 1 976 . 1 1 161 161 ASN N N 15 119.630 0.3 . 1 . . . . A 198 ASN N . 18793 1 977 . 1 1 162 162 ALA H H 1 8.145 0.020 . 1 . . . . A 199 ALA H . 18793 1 978 . 1 1 162 162 ALA C C 13 178.364 0.3 . 1 . . . . A 199 ALA C . 18793 1 979 . 1 1 162 162 ALA CA C 13 53.071 0.3 . 1 . . . . A 199 ALA CA . 18793 1 980 . 1 1 162 162 ALA CB C 13 17.296 0.3 . 1 . . . . A 199 ALA CB . 18793 1 981 . 1 1 162 162 ALA N N 15 124.007 0.3 . 1 . . . . A 199 ALA N . 18793 1 982 . 1 1 163 163 ALA H H 1 8.034 0.020 . 1 . . . . A 200 ALA H . 18793 1 983 . 1 1 163 163 ALA C C 13 178.364 0.3 . 1 . . . . A 200 ALA C . 18793 1 984 . 1 1 163 163 ALA CA C 13 52.555 0.3 . 1 . . . . A 200 ALA CA . 18793 1 985 . 1 1 163 163 ALA CB C 13 17.113 0.3 . 1 . . . . A 200 ALA CB . 18793 1 986 . 1 1 163 163 ALA N N 15 121.998 0.3 . 1 . . . . A 200 ALA N . 18793 1 987 . 1 1 164 164 ALA H H 1 7.867 0.020 . 1 . . . . A 201 ALA H . 18793 1 988 . 1 1 164 164 ALA C C 13 178.907 0.3 . 1 . . . . A 201 ALA C . 18793 1 989 . 1 1 164 164 ALA CA C 13 52.666 0.3 . 1 . . . . A 201 ALA CA . 18793 1 990 . 1 1 164 164 ALA CB C 13 17.335 0.3 . 1 . . . . A 201 ALA CB . 18793 1 991 . 1 1 164 164 ALA N N 15 122.556 0.3 . 1 . . . . A 201 ALA N . 18793 1 992 . 1 1 165 165 GLU H H 1 8.192 0.020 . 1 . . . . A 202 GLU H . 18793 1 993 . 1 1 165 165 GLU C C 13 177.652 0.3 . 1 . . . . A 202 GLU C . 18793 1 994 . 1 1 165 165 GLU CA C 13 56.888 0.3 . 1 . . . . A 202 GLU CA . 18793 1 995 . 1 1 165 165 GLU CB C 13 28.445 0.3 . 1 . . . . A 202 GLU CB . 18793 1 996 . 1 1 165 165 GLU N N 15 118.978 0.3 . 1 . . . . A 202 GLU N . 18793 1 997 . 1 1 166 166 SER H H 1 7.999 0.020 . 1 . . . . A 203 SER H . 18793 1 998 . 1 1 166 166 SER C C 13 175.110 0.3 . 1 . . . . A 203 SER C . 18793 1 999 . 1 1 166 166 SER CA C 13 58.777 0.3 . 1 . . . . A 203 SER CA . 18793 1 1000 . 1 1 166 166 SER CB C 13 62.221 0.3 . 1 . . . . A 203 SER CB . 18793 1 1001 . 1 1 166 166 SER N N 15 115.547 0.3 . 1 . . . . A 203 SER N . 18793 1 1002 . 1 1 167 167 ARG H H 1 7.877 0.020 . 1 . . . . A 204 ARG H . 18793 1 1003 . 1 1 167 167 ARG C C 13 176.703 0.3 . 1 . . . . A 204 ARG C . 18793 1 1004 . 1 1 167 167 ARG CA C 13 56.221 0.3 . 1 . . . . A 204 ARG CA . 18793 1 1005 . 1 1 167 167 ARG CB C 13 29.112 0.3 . 1 . . . . A 204 ARG CB . 18793 1 1006 . 1 1 167 167 ARG N N 15 122.144 0.3 . 1 . . . . A 204 ARG N . 18793 1 1007 . 1 1 168 168 LYS H H 1 7.939 0.020 . 1 . . . . A 205 LYS H . 18793 1 1008 . 1 1 168 168 LYS C C 13 177.381 0.3 . 1 . . . . A 205 LYS C . 18793 1 1009 . 1 1 168 168 LYS CA C 13 56.555 0.3 . 1 . . . . A 205 LYS CA . 18793 1 1010 . 1 1 168 168 LYS CB C 13 31.334 0.3 . 1 . . . . A 205 LYS CB . 18793 1 1011 . 1 1 168 168 LYS N N 15 121.135 0.3 . 1 . . . . A 205 LYS N . 18793 1 1012 . 1 1 169 169 GLY H H 1 8.245 0.020 . 1 . . . . A 206 GLY H . 18793 1 1013 . 1 1 169 169 GLY C C 13 174.364 0.3 . 1 . . . . A 206 GLY C . 18793 1 1014 . 1 1 169 169 GLY CA C 13 44.778 0.3 . 1 . . . . A 206 GLY CA . 18793 1 1015 . 1 1 169 169 GLY N N 15 109.474 0.3 . 1 . . . . A 206 GLY N . 18793 1 1016 . 1 1 170 170 GLN H H 1 7.986 0.020 . 1 . . . . A 207 GLN H . 18793 1 1017 . 1 1 170 170 GLN C C 13 176.161 0.3 . 1 . . . . A 207 GLN C . 18793 1 1018 . 1 1 170 170 GLN CA C 13 55.221 0.3 . 1 . . . . A 207 GLN CA . 18793 1 1019 . 1 1 170 170 GLN CB C 13 27.890 0.3 . 1 . . . . A 207 GLN CB . 18793 1 1020 . 1 1 170 170 GLN N N 15 120.139 0.3 . 1 . . . . A 207 GLN N . 18793 1 1021 . 1 1 171 171 GLU H H 1 8.361 0.020 . 1 . . . . A 208 GLU H . 18793 1 1022 . 1 1 171 171 GLU C C 13 176.466 0.3 . 1 . . . . A 208 GLU C . 18793 1 1023 . 1 1 171 171 GLU CA C 13 56.444 0.3 . 1 . . . . A 208 GLU CA . 18793 1 1024 . 1 1 171 171 GLU CB C 13 28.445 0.3 . 1 . . . . A 208 GLU CB . 18793 1 1025 . 1 1 171 171 GLU N N 15 121.897 0.3 . 1 . . . . A 208 GLU N . 18793 1 1026 . 1 1 172 172 ARG H H 1 8.129 0.020 . 1 . . . . A 209 ARG H . 18793 1 1027 . 1 1 172 172 ARG C C 13 176.059 0.3 . 1 . . . . A 209 ARG C . 18793 1 1028 . 1 1 172 172 ARG CA C 13 55.444 0.3 . 1 . . . . A 209 ARG CA . 18793 1 1029 . 1 1 172 172 ARG CB C 13 29.001 0.3 . 1 . . . . A 209 ARG CB . 18793 1 1030 . 1 1 172 172 ARG N N 15 121.545 0.3 . 1 . . . . A 209 ARG N . 18793 1 1031 . 1 1 173 173 LEU H H 1 8.020 0.020 . 1 . . . . A 210 LEU H . 18793 1 1032 . 1 1 173 173 LEU HD11 H 1 0.796 0.020 . 1 . . . . A 210 LEU HD11 . 18793 1 1033 . 1 1 173 173 LEU HD12 H 1 0.796 0.020 . 1 . . . . A 210 LEU HD12 . 18793 1 1034 . 1 1 173 173 LEU HD13 H 1 0.796 0.020 . 1 . . . . A 210 LEU HD13 . 18793 1 1035 . 1 1 173 173 LEU C C 13 177.110 0.3 . 1 . . . . A 210 LEU C . 18793 1 1036 . 1 1 173 173 LEU CA C 13 54.221 0.3 . 1 . . . . A 210 LEU CA . 18793 1 1037 . 1 1 173 173 LEU CB C 13 40.778 0.3 . 1 . . . . A 210 LEU CB . 18793 1 1038 . 1 1 173 173 LEU CD1 C 13 24.471 0.3 . 1 . . . . A 210 LEU CD1 . 18793 1 1039 . 1 1 173 173 LEU N N 15 123.069 0.3 . 1 . . . . A 210 LEU N . 18793 1 1040 . 1 1 174 174 GLU H H 1 8.177 0.020 . 1 . . . . A 211 GLU H . 18793 1 1041 . 1 1 174 174 GLU C C 13 176.053 0.3 . 1 . . . . A 211 GLU C . 18793 1 1042 . 1 1 174 174 GLU CA C 13 55.666 0.3 . 1 . . . . A 211 GLU CA . 18793 1 1043 . 1 1 174 174 GLU CB C 13 28.778 0.3 . 1 . . . . A 211 GLU CB . 18793 1 1044 . 1 1 174 174 GLU N N 15 121.194 0.3 . 1 . . . . A 211 GLU N . 18793 1 1045 . 2 2 2 2 GLU H H 1 7.734 0.020 . 1 . . . . B 69 GLU H . 18793 1 1046 . 2 2 2 2 GLU HA H 1 4.169 0.020 . 1 . . . . B 69 GLU HA . 18793 1 1047 . 2 2 2 2 GLU HB2 H 1 2.025 0.020 . 2 . . . . B 69 GLU HB2 . 18793 1 1048 . 2 2 2 2 GLU HB3 H 1 1.923 0.020 . 2 . . . . B 69 GLU HB3 . 18793 1 1049 . 2 2 2 2 GLU HG2 H 1 2.263 0.020 . 2 . . . . B 69 GLU HG2 . 18793 1 1050 . 2 2 2 2 GLU HG3 H 1 2.206 0.020 . 2 . . . . B 69 GLU HG3 . 18793 1 1051 . 2 2 3 3 GLN H H 1 7.739 0.020 . 1 . . . . B 70 GLN H . 18793 1 1052 . 2 2 3 3 GLN HA H 1 4.055 0.020 . 1 . . . . B 70 GLN HA . 18793 1 1053 . 2 2 3 3 GLN HB2 H 1 2.025 0.020 . 1 . . . . B 70 GLN HB2 . 18793 1 1054 . 2 2 3 3 GLN HB3 H 1 2.025 0.020 . 1 . . . . B 70 GLN HB3 . 18793 1 1055 . 2 2 3 3 GLN HG2 H 1 2.168 0.020 . 1 . . . . B 70 GLN HG2 . 18793 1 1056 . 2 2 3 3 GLN HG3 H 1 2.168 0.020 . 1 . . . . B 70 GLN HG3 . 18793 1 1057 . 2 2 4 4 TRP H H 1 8.009 0.020 . 1 . . . . B 71 TRP H . 18793 1 1058 . 2 2 4 4 TRP HA H 1 3.848 0.020 . 1 . . . . B 71 TRP HA . 18793 1 1059 . 2 2 4 4 TRP HB2 H 1 2.976 0.020 . 2 . . . . B 71 TRP HB2 . 18793 1 1060 . 2 2 4 4 TRP HB3 H 1 3.114 0.020 . 2 . . . . B 71 TRP HB3 . 18793 1 1061 . 2 2 4 4 TRP HD1 H 1 7.359 0.020 . 1 . . . . B 71 TRP HD1 . 18793 1 1062 . 2 2 4 4 TRP HE1 H 1 10.270 0.020 . 1 . . . . B 71 TRP HE1 . 18793 1 1063 . 2 2 4 4 TRP HE3 H 1 6.723 0.020 . 1 . . . . B 71 TRP HE3 . 18793 1 1064 . 2 2 4 4 TRP HZ2 H 1 7.510 0.020 . 1 . . . . B 71 TRP HZ2 . 18793 1 1065 . 2 2 4 4 TRP HZ3 H 1 7.451 0.020 . 1 . . . . B 71 TRP HZ3 . 18793 1 1066 . 2 2 4 4 TRP HH2 H 1 7.037 0.020 . 1 . . . . B 71 TRP HH2 . 18793 1 1067 . 2 2 5 5 ALA H H 1 7.801 0.020 . 1 . . . . B 72 ALA H . 18793 1 1068 . 2 2 5 5 ALA HA H 1 4.236 0.020 . 1 . . . . B 72 ALA HA . 18793 1 1069 . 2 2 5 5 ALA HB1 H 1 1.541 0.020 . 1 . . . . B 72 ALA HB1 . 18793 1 1070 . 2 2 5 5 ALA HB2 H 1 1.541 0.020 . 1 . . . . B 72 ALA HB2 . 18793 1 1071 . 2 2 5 5 ALA HB3 H 1 1.541 0.020 . 1 . . . . B 72 ALA HB3 . 18793 1 1072 . 2 2 6 6 ARG HA H 1 4.079 0.020 . 1 . . . . B 73 ARG HA . 18793 1 1073 . 2 2 6 6 ARG HB2 H 1 1.777 0.020 . 1 . . . . B 73 ARG HB2 . 18793 1 1074 . 2 2 6 6 ARG HB3 H 1 1.777 0.020 . 1 . . . . B 73 ARG HB3 . 18793 1 1075 . 2 2 6 6 ARG HG2 H 1 1.632 0.020 . 1 . . . . B 73 ARG HG2 . 18793 1 1076 . 2 2 6 6 ARG HG3 H 1 1.632 0.020 . 1 . . . . B 73 ARG HG3 . 18793 1 1077 . 2 2 7 7 GLU HA H 1 3.883 0.020 . 1 . . . . B 74 GLU HA . 18793 1 1078 . 2 2 7 7 GLU HB2 H 1 1.987 0.020 . 2 . . . . B 74 GLU HB2 . 18793 1 1079 . 2 2 7 7 GLU HB3 H 1 1.915 0.020 . 2 . . . . B 74 GLU HB3 . 18793 1 1080 . 2 2 7 7 GLU HG2 H 1 2.206 0.020 . 1 . . . . B 74 GLU HG2 . 18793 1 1081 . 2 2 7 7 GLU HG3 H 1 2.206 0.020 . 1 . . . . B 74 GLU HG3 . 18793 1 1082 . 2 2 8 8 ILE HA H 1 3.663 0.020 . 1 . . . . B 75 ILE HA . 18793 1 1083 . 2 2 8 8 ILE HB H 1 1.914 0.020 . 1 . . . . B 75 ILE HB . 18793 1 1084 . 2 2 8 8 ILE HG12 H 1 1.635 0.020 . 1 . . . . B 75 ILE HG12 . 18793 1 1085 . 2 2 8 8 ILE HG13 H 1 1.635 0.020 . 1 . . . . B 75 ILE HG13 . 18793 1 1086 . 2 2 8 8 ILE HG21 H 1 0.883 0.020 . 1 . . . . B 75 ILE HG21 . 18793 1 1087 . 2 2 8 8 ILE HG22 H 1 0.883 0.020 . 1 . . . . B 75 ILE HG22 . 18793 1 1088 . 2 2 8 8 ILE HG23 H 1 0.883 0.020 . 1 . . . . B 75 ILE HG23 . 18793 1 1089 . 2 2 8 8 ILE HD11 H 1 0.695 0.020 . 1 . . . . B 75 ILE HD11 . 18793 1 1090 . 2 2 8 8 ILE HD12 H 1 0.695 0.020 . 1 . . . . B 75 ILE HD12 . 18793 1 1091 . 2 2 8 8 ILE HD13 H 1 0.695 0.020 . 1 . . . . B 75 ILE HD13 . 18793 1 1092 . 2 2 9 9 GLY HA2 H 1 3.567 0.020 . 2 . . . . B 76 GLY HA2 . 18793 1 1093 . 2 2 9 9 GLY HA3 H 1 3.475 0.020 . 2 . . . . B 76 GLY HA3 . 18793 1 1094 . 2 2 10 10 ALA HA H 1 3.987 0.020 . 1 . . . . B 77 ALA HA . 18793 1 1095 . 2 2 10 10 ALA HB1 H 1 1.412 0.020 . 1 . . . . B 77 ALA HB1 . 18793 1 1096 . 2 2 10 10 ALA HB2 H 1 1.412 0.020 . 1 . . . . B 77 ALA HB2 . 18793 1 1097 . 2 2 10 10 ALA HB3 H 1 1.412 0.020 . 1 . . . . B 77 ALA HB3 . 18793 1 1098 . 2 2 11 11 GLN H H 1 7.662 0.020 . 1 . . . . B 78 GLN H . 18793 1 1099 . 2 2 11 11 GLN HA H 1 3.965 0.020 . 1 . . . . B 78 GLN HA . 18793 1 1100 . 2 2 11 11 GLN HB2 H 1 1.933 0.020 . 2 . . . . B 78 GLN HB2 . 18793 1 1101 . 2 2 11 11 GLN HB3 H 1 2.023 0.020 . 2 . . . . B 78 GLN HB3 . 18793 1 1102 . 2 2 11 11 GLN HG2 H 1 2.216 0.020 . 2 . . . . B 78 GLN HG2 . 18793 1 1103 . 2 2 11 11 GLN HG3 H 1 2.170 0.020 . 2 . . . . B 78 GLN HG3 . 18793 1 1104 . 2 2 12 12 LEU H H 1 7.230 0.020 . 1 . . . . B 79 LEU H . 18793 1 1105 . 2 2 12 12 LEU HA H 1 3.698 0.020 . 1 . . . . B 79 LEU HA . 18793 1 1106 . 2 2 12 12 LEU HB2 H 1 1.829 0.020 . 1 . . . . B 79 LEU HB2 . 18793 1 1107 . 2 2 12 12 LEU HB3 H 1 1.829 0.020 . 1 . . . . B 79 LEU HB3 . 18793 1 1108 . 2 2 12 12 LEU HG H 1 1.387 0.020 . 1 . . . . B 79 LEU HG . 18793 1 1109 . 2 2 12 12 LEU HD11 H 1 1.087 0.020 . 1 . . . . B 79 LEU HD11 . 18793 1 1110 . 2 2 12 12 LEU HD12 H 1 1.087 0.020 . 1 . . . . B 79 LEU HD12 . 18793 1 1111 . 2 2 12 12 LEU HD13 H 1 1.087 0.020 . 1 . . . . B 79 LEU HD13 . 18793 1 1112 . 2 2 12 12 LEU HD21 H 1 1.087 0.020 . 1 . . . . B 79 LEU HD21 . 18793 1 1113 . 2 2 12 12 LEU HD22 H 1 1.087 0.020 . 1 . . . . B 79 LEU HD22 . 18793 1 1114 . 2 2 12 12 LEU HD23 H 1 1.087 0.020 . 1 . . . . B 79 LEU HD23 . 18793 1 1115 . 2 2 13 13 ARG H H 1 8.032 0.020 . 1 . . . . B 80 ARG H . 18793 1 1116 . 2 2 13 13 ARG HA H 1 3.574 0.020 . 1 . . . . B 80 ARG HA . 18793 1 1117 . 2 2 13 13 ARG HB2 H 1 1.533 0.020 . 2 . . . . B 80 ARG HB2 . 18793 1 1118 . 2 2 13 13 ARG HB3 H 1 1.678 0.020 . 2 . . . . B 80 ARG HB3 . 18793 1 1119 . 2 2 13 13 ARG HG2 H 1 1.395 0.020 . 1 . . . . B 80 ARG HG2 . 18793 1 1120 . 2 2 13 13 ARG HG3 H 1 1.395 0.020 . 1 . . . . B 80 ARG HG3 . 18793 1 1121 . 2 2 13 13 ARG HD2 H 1 3.078 0.020 . 1 . . . . B 80 ARG HD2 . 18793 1 1122 . 2 2 13 13 ARG HD3 H 1 3.078 0.020 . 1 . . . . B 80 ARG HD3 . 18793 1 1123 . 2 2 14 14 ARG H H 1 8.166 0.020 . 1 . . . . B 81 ARG H . 18793 1 1124 . 2 2 14 14 ARG HA H 1 4.280 0.020 . 1 . . . . B 81 ARG HA . 18793 1 1125 . 2 2 14 14 ARG HB2 H 1 1.732 0.020 . 2 . . . . B 81 ARG HB2 . 18793 1 1126 . 2 2 14 14 ARG HB3 H 1 1.843 0.020 . 2 . . . . B 81 ARG HB3 . 18793 1 1127 . 2 2 14 14 ARG HG2 H 1 1.555 0.020 . 1 . . . . B 81 ARG HG2 . 18793 1 1128 . 2 2 14 14 ARG HG3 H 1 1.555 0.020 . 1 . . . . B 81 ARG HG3 . 18793 1 1129 . 2 2 15 15 MET HA H 1 3.673 0.020 . 1 . . . . B 82 MET HA . 18793 1 1130 . 2 2 15 15 MET HB2 H 1 2.048 0.020 . 1 . . . . B 82 MET HB2 . 18793 1 1131 . 2 2 15 15 MET HB3 H 1 2.048 0.020 . 1 . . . . B 82 MET HB3 . 18793 1 1132 . 2 2 15 15 MET HG2 H 1 2.270 0.020 . 1 . . . . B 82 MET HG2 . 18793 1 1133 . 2 2 15 15 MET HG3 H 1 2.270 0.020 . 1 . . . . B 82 MET HG3 . 18793 1 1134 . 2 2 15 15 MET HE1 H 1 1.249 0.020 . 1 . . . . B 82 MET HE1 . 18793 1 1135 . 2 2 15 15 MET HE2 H 1 1.249 0.020 . 1 . . . . B 82 MET HE2 . 18793 1 1136 . 2 2 15 15 MET HE3 H 1 1.249 0.020 . 1 . . . . B 82 MET HE3 . 18793 1 1137 . 2 2 16 16 ALA H H 1 7.736 0.020 . 1 . . . . B 83 ALA H . 18793 1 1138 . 2 2 16 16 ALA HA H 1 3.998 0.020 . 1 . . . . B 83 ALA HA . 18793 1 1139 . 2 2 16 16 ALA HB1 H 1 1.139 0.020 . 1 . . . . B 83 ALA HB1 . 18793 1 1140 . 2 2 16 16 ALA HB2 H 1 1.139 0.020 . 1 . . . . B 83 ALA HB2 . 18793 1 1141 . 2 2 16 16 ALA HB3 H 1 1.139 0.020 . 1 . . . . B 83 ALA HB3 . 18793 1 1142 . 2 2 17 17 ASP H H 1 8.095 0.020 . 1 . . . . B 84 ASP H . 18793 1 1143 . 2 2 17 17 ASP HA H 1 4.498 0.020 . 1 . . . . B 84 ASP HA . 18793 1 1144 . 2 2 17 17 ASP HB2 H 1 2.671 0.020 . 1 . . . . B 84 ASP HB2 . 18793 1 1145 . 2 2 17 17 ASP HB3 H 1 2.671 0.020 . 1 . . . . B 84 ASP HB3 . 18793 1 1146 . 2 2 18 18 ASP H H 1 8.009 0.020 . 1 . . . . B 85 ASP H . 18793 1 1147 . 2 2 18 18 ASP HA H 1 3.777 0.020 . 1 . . . . B 85 ASP HA . 18793 1 1148 . 2 2 18 18 ASP HB2 H 1 2.564 0.020 . 1 . . . . B 85 ASP HB2 . 18793 1 1149 . 2 2 18 18 ASP HB3 H 1 2.564 0.020 . 1 . . . . B 85 ASP HB3 . 18793 1 1150 . 2 2 19 19 LEU H H 1 7.157 0.020 . 1 . . . . B 86 LEU H . 18793 1 1151 . 2 2 19 19 LEU HA H 1 3.912 0.020 . 1 . . . . B 86 LEU HA . 18793 1 1152 . 2 2 19 19 LEU HG H 1 1.402 0.020 . 1 . . . . B 86 LEU HG . 18793 1 1153 . 2 2 19 19 LEU HD11 H 1 1.135 0.020 . 1 . . . . B 86 LEU HD11 . 18793 1 1154 . 2 2 19 19 LEU HD12 H 1 1.135 0.020 . 1 . . . . B 86 LEU HD12 . 18793 1 1155 . 2 2 19 19 LEU HD13 H 1 1.135 0.020 . 1 . . . . B 86 LEU HD13 . 18793 1 1156 . 2 2 19 19 LEU HD21 H 1 1.135 0.020 . 1 . . . . B 86 LEU HD21 . 18793 1 1157 . 2 2 19 19 LEU HD22 H 1 1.135 0.020 . 1 . . . . B 86 LEU HD22 . 18793 1 1158 . 2 2 19 19 LEU HD23 H 1 1.135 0.020 . 1 . . . . B 86 LEU HD23 . 18793 1 1159 . 2 2 20 20 ASN H H 1 7.654 0.020 . 1 . . . . B 87 ASN H . 18793 1 1160 . 2 2 20 20 ASN HA H 1 4.280 0.020 . 1 . . . . B 87 ASN HA . 18793 1 1161 . 2 2 20 20 ASN HB2 H 1 2.173 0.020 . 2 . . . . B 87 ASN HB2 . 18793 1 1162 . 2 2 20 20 ASN HB3 H 1 2.234 0.020 . 2 . . . . B 87 ASN HB3 . 18793 1 1163 . 2 2 21 21 ALA H H 1 7.815 0.020 . 1 . . . . B 88 ALA H . 18793 1 1164 . 2 2 21 21 ALA HA H 1 4.027 0.020 . 1 . . . . B 88 ALA HA . 18793 1 1165 . 2 2 21 21 ALA HB1 H 1 1.241 0.020 . 1 . . . . B 88 ALA HB1 . 18793 1 1166 . 2 2 21 21 ALA HB2 H 1 1.241 0.020 . 1 . . . . B 88 ALA HB2 . 18793 1 1167 . 2 2 21 21 ALA HB3 H 1 1.241 0.020 . 1 . . . . B 88 ALA HB3 . 18793 1 1168 . 2 2 22 22 GLN H H 1 7.526 0.020 . 1 . . . . B 89 GLN H . 18793 1 1169 . 2 2 22 22 GLN HA H 1 4.353 0.020 . 1 . . . . B 89 GLN HA . 18793 1 1170 . 2 2 22 22 GLN HB2 H 1 2.311 0.020 . 1 . . . . B 89 GLN HB2 . 18793 1 1171 . 2 2 22 22 GLN HB3 H 1 2.311 0.020 . 1 . . . . B 89 GLN HB3 . 18793 1 1172 . 2 2 22 22 GLN HG2 H 1 2.426 0.020 . 1 . . . . B 89 GLN HG2 . 18793 1 1173 . 2 2 22 22 GLN HG3 H 1 2.426 0.020 . 1 . . . . B 89 GLN HG3 . 18793 1 1174 . 2 2 23 23 TYR H H 1 7.657 0.020 . 1 . . . . B 90 TYR H . 18793 1 1175 . 2 2 23 23 TYR HA H 1 4.155 0.020 . 1 . . . . B 90 TYR HA . 18793 1 1176 . 2 2 23 23 TYR HB2 H 1 3.161 0.020 . 1 . . . . B 90 TYR HB2 . 18793 1 1177 . 2 2 23 23 TYR HB3 H 1 3.161 0.020 . 1 . . . . B 90 TYR HB3 . 18793 1 1178 . 2 2 23 23 TYR HD1 H 1 6.945 0.020 . 1 . . . . B 90 TYR HD1 . 18793 1 1179 . 2 2 23 23 TYR HD2 H 1 6.945 0.020 . 1 . . . . B 90 TYR HD2 . 18793 1 1180 . 2 2 23 23 TYR HE1 H 1 6.622 0.020 . 1 . . . . B 90 TYR HE1 . 18793 1 1181 . 2 2 23 23 TYR HE2 H 1 6.622 0.020 . 1 . . . . B 90 TYR HE2 . 18793 1 1182 . 2 2 24 24 GLU H H 1 7.658 0.020 . 1 . . . . B 91 GLU H . 18793 1 1183 . 2 2 24 24 GLU HA H 1 4.349 0.020 . 1 . . . . B 91 GLU HA . 18793 1 1184 . 2 2 24 24 GLU HB2 H 1 2.019 0.020 . 1 . . . . B 91 GLU HB2 . 18793 1 1185 . 2 2 24 24 GLU HB3 H 1 2.019 0.020 . 1 . . . . B 91 GLU HB3 . 18793 1 1186 . 2 2 24 24 GLU HG2 H 1 2.112 0.020 . 1 . . . . B 91 GLU HG2 . 18793 1 1187 . 2 2 24 24 GLU HG3 H 1 2.112 0.020 . 1 . . . . B 91 GLU HG3 . 18793 1 1188 . 2 2 25 25 ARG H H 1 7.805 0.020 . 1 . . . . B 92 ARG H . 18793 1 1189 . 2 2 25 25 ARG HA H 1 4.153 0.020 . 1 . . . . B 92 ARG HA . 18793 1 1190 . 2 2 25 25 ARG HB2 H 1 1.839 0.020 . 2 . . . . B 92 ARG HB2 . 18793 1 1191 . 2 2 25 25 ARG HB3 H 1 1.715 0.020 . 2 . . . . B 92 ARG HB3 . 18793 1 1192 . 2 2 25 25 ARG HG2 H 1 1.581 0.020 . 1 . . . . B 92 ARG HG2 . 18793 1 1193 . 2 2 25 25 ARG HG3 H 1 1.581 0.020 . 1 . . . . B 92 ARG HG3 . 18793 1 1194 . 2 2 25 25 ARG HD2 H 1 3.127 0.020 . 1 . . . . B 92 ARG HD2 . 18793 1 1195 . 2 2 25 25 ARG HD3 H 1 3.127 0.020 . 1 . . . . B 92 ARG HD3 . 18793 1 stop_ save_