data_17687 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17687 _Entry.Title ; PARP BRCT Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-03 _Entry.Accession_date 2011-06-03 _Entry.Last_release_date 2011-10-12 _Entry.Original_release_date 2011-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 11 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Geoffrey Mueller . . . 17687 2 Paul Loeffler . . . 17687 3 Matthew Cuneo . . . 17687 4 Eugene DeRose . . . 17687 5 Robert London . . . 17687 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' . 17687 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BRCT . 17687 PARP . 17687 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17687 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 17687 '15N chemical shifts' 98 17687 '1H chemical shifts' 987 17687 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-10-12 2011-06-03 original author . 17687 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LE0 'BMRB Entry Tracking System' 17687 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17687 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21967661 _Citation.Full_citation . _Citation.Title 'Structural studies of the PARP-1 BRCT domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Struct. Biol.' _Citation.Journal_name_full 'BMC structural biology' _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 37 _Citation.Page_last 37 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Paul Loeffler . A. . 17687 1 2 Matthew Cuneo . J. . 17687 1 3 Geoffrey Mueller . A. . 17687 1 4 Eugene Derose . F. . 17687 1 5 Scott Gabel . A. . 17687 1 6 Robert London . E. . 17687 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17687 _Assembly.ID 1 _Assembly.Name 'PARP-1 BRCT domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PARP-1 BRCT domain' 1 $PARP-1_BRCT_domain A . yes native no no . . . 17687 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PARP-1_BRCT_domain _Entity.Sf_category entity _Entity.Sf_framecode PARP-1_BRCT_domain _Entity.Entry_ID 17687 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MKPLSNMKILTLGKLSQNKD EAKAMIEKLGGKLTGSANKA SLCISTKKEVEKMSKKMEEV KAANVRVVCEDFLQDVSASA KSLQELLSAHSLSSWGAEVK HHHHHHMKPLSNMKILTLGK LSQNKDEAKAMIEKLGGKLT GSANKASLCISTKKEVEKMS KKMEEVKAANVRVVCEDFLQ DVSASAKSLQELLSAHSLSS WGAEVKHHHHHH ; _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 212 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23327.365 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LE0 . "Parp Brct Domain" . . . . . 50.00 106 100.00 100.00 1.44e-65 . . . . 17687 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 . 17687 1 2 . LYS . 17687 1 3 . PRO . 17687 1 4 . LEU . 17687 1 5 . SER . 17687 1 6 . ASN . 17687 1 7 . MET . 17687 1 8 . LYS . 17687 1 9 . ILE . 17687 1 10 . LEU . 17687 1 11 . THR . 17687 1 12 . LEU . 17687 1 13 . GLY . 17687 1 14 . LYS . 17687 1 15 . LEU . 17687 1 16 . SER . 17687 1 17 . GLN . 17687 1 18 . ASN . 17687 1 19 . LYS . 17687 1 20 . ASP . 17687 1 21 . GLU . 17687 1 22 . ALA . 17687 1 23 . LYS . 17687 1 24 . ALA . 17687 1 25 . MET . 17687 1 26 . ILE . 17687 1 27 . GLU . 17687 1 28 . LYS . 17687 1 29 . LEU . 17687 1 30 . GLY . 17687 1 31 . GLY . 17687 1 32 . LYS . 17687 1 33 . LEU . 17687 1 34 . THR . 17687 1 35 . GLY . 17687 1 36 . SER . 17687 1 37 . ALA . 17687 1 38 . ASN . 17687 1 39 . LYS . 17687 1 40 . ALA . 17687 1 41 . SER . 17687 1 42 . LEU . 17687 1 43 . CYS . 17687 1 44 . ILE . 17687 1 45 . SER . 17687 1 46 . THR . 17687 1 47 . LYS . 17687 1 48 . LYS . 17687 1 49 . GLU . 17687 1 50 . VAL . 17687 1 51 . GLU . 17687 1 52 . LYS . 17687 1 53 . MET . 17687 1 54 . SER . 17687 1 55 . LYS . 17687 1 56 . LYS . 17687 1 57 . MET . 17687 1 58 . GLU . 17687 1 59 . GLU . 17687 1 60 . VAL . 17687 1 61 . LYS . 17687 1 62 . ALA . 17687 1 63 . ALA . 17687 1 64 . ASN . 17687 1 65 . VAL . 17687 1 66 . ARG . 17687 1 67 . VAL . 17687 1 68 . VAL . 17687 1 69 . CYS . 17687 1 70 . GLU . 17687 1 71 . ASP . 17687 1 72 . PHE . 17687 1 73 . LEU . 17687 1 74 . GLN . 17687 1 75 . ASP . 17687 1 76 . VAL . 17687 1 77 . SER . 17687 1 78 . ALA . 17687 1 79 . SER . 17687 1 80 . ALA . 17687 1 81 . LYS . 17687 1 82 . SER . 17687 1 83 . LEU . 17687 1 84 . GLN . 17687 1 85 . GLU . 17687 1 86 . LEU . 17687 1 87 . LEU . 17687 1 88 . SER . 17687 1 89 . ALA . 17687 1 90 . HIS . 17687 1 91 . SER . 17687 1 92 . LEU . 17687 1 93 . SER . 17687 1 94 . SER . 17687 1 95 . TRP . 17687 1 96 . GLY . 17687 1 97 . ALA . 17687 1 98 . GLU . 17687 1 99 . VAL . 17687 1 100 . LYS . 17687 1 101 . HIS . 17687 1 102 . HIS . 17687 1 103 . HIS . 17687 1 104 . HIS . 17687 1 105 . HIS . 17687 1 106 . HIS . 17687 1 107 . MET . 17687 1 108 . LYS . 17687 1 109 . PRO . 17687 1 110 . LEU . 17687 1 111 . SER . 17687 1 112 . ASN . 17687 1 113 . MET . 17687 1 114 . LYS . 17687 1 115 . ILE . 17687 1 116 . LEU . 17687 1 117 . THR . 17687 1 118 . LEU . 17687 1 119 . GLY . 17687 1 120 . LYS . 17687 1 121 . LEU . 17687 1 122 . SER . 17687 1 123 . GLN . 17687 1 124 . ASN . 17687 1 125 . LYS . 17687 1 126 . ASP . 17687 1 127 . GLU . 17687 1 128 . ALA . 17687 1 129 . LYS . 17687 1 130 . ALA . 17687 1 131 . MET . 17687 1 132 . ILE . 17687 1 133 . GLU . 17687 1 134 . LYS . 17687 1 135 . LEU . 17687 1 136 . GLY . 17687 1 137 . GLY . 17687 1 138 . LYS . 17687 1 139 . LEU . 17687 1 140 . THR . 17687 1 141 . GLY . 17687 1 142 . SER . 17687 1 143 . ALA . 17687 1 144 . ASN . 17687 1 145 . LYS . 17687 1 146 . ALA . 17687 1 147 . SER . 17687 1 148 . LEU . 17687 1 149 . CYS . 17687 1 150 . ILE . 17687 1 151 . SER . 17687 1 152 . THR . 17687 1 153 . LYS . 17687 1 154 . LYS . 17687 1 155 . GLU . 17687 1 156 . VAL . 17687 1 157 . GLU . 17687 1 158 . LYS . 17687 1 159 . MET . 17687 1 160 . SER . 17687 1 161 . LYS . 17687 1 162 . LYS . 17687 1 163 . MET . 17687 1 164 . GLU . 17687 1 165 . GLU . 17687 1 166 . VAL . 17687 1 167 . LYS . 17687 1 168 . ALA . 17687 1 169 . ALA . 17687 1 170 . ASN . 17687 1 171 . VAL . 17687 1 172 . ARG . 17687 1 173 . VAL . 17687 1 174 . VAL . 17687 1 175 . CYS . 17687 1 176 . GLU . 17687 1 177 . ASP . 17687 1 178 . PHE . 17687 1 179 . LEU . 17687 1 180 . GLN . 17687 1 181 . ASP . 17687 1 182 . VAL . 17687 1 183 . SER . 17687 1 184 . ALA . 17687 1 185 . SER . 17687 1 186 . ALA . 17687 1 187 . LYS . 17687 1 188 . SER . 17687 1 189 . LEU . 17687 1 190 . GLN . 17687 1 191 . GLU . 17687 1 192 . LEU . 17687 1 193 . LEU . 17687 1 194 . SER . 17687 1 195 . ALA . 17687 1 196 . HIS . 17687 1 197 . SER . 17687 1 198 . LEU . 17687 1 199 . SER . 17687 1 200 . SER . 17687 1 201 . TRP . 17687 1 202 . GLY . 17687 1 203 . ALA . 17687 1 204 . GLU . 17687 1 205 . VAL . 17687 1 206 . LYS . 17687 1 207 . HIS . 17687 1 208 . HIS . 17687 1 209 . HIS . 17687 1 210 . HIS . 17687 1 211 . HIS . 17687 1 212 . HIS . 17687 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 17687 1 . LYS 2 2 17687 1 . PRO 3 3 17687 1 . LEU 4 4 17687 1 . SER 5 5 17687 1 . ASN 6 6 17687 1 . MET 7 7 17687 1 . LYS 8 8 17687 1 . ILE 9 9 17687 1 . LEU 10 10 17687 1 . THR 11 11 17687 1 . LEU 12 12 17687 1 . GLY 13 13 17687 1 . LYS 14 14 17687 1 . LEU 15 15 17687 1 . SER 16 16 17687 1 . GLN 17 17 17687 1 . ASN 18 18 17687 1 . LYS 19 19 17687 1 . ASP 20 20 17687 1 . GLU 21 21 17687 1 . ALA 22 22 17687 1 . LYS 23 23 17687 1 . ALA 24 24 17687 1 . MET 25 25 17687 1 . ILE 26 26 17687 1 . GLU 27 27 17687 1 . LYS 28 28 17687 1 . LEU 29 29 17687 1 . GLY 30 30 17687 1 . GLY 31 31 17687 1 . LYS 32 32 17687 1 . LEU 33 33 17687 1 . THR 34 34 17687 1 . GLY 35 35 17687 1 . SER 36 36 17687 1 . ALA 37 37 17687 1 . ASN 38 38 17687 1 . LYS 39 39 17687 1 . ALA 40 40 17687 1 . SER 41 41 17687 1 . LEU 42 42 17687 1 . CYS 43 43 17687 1 . ILE 44 44 17687 1 . SER 45 45 17687 1 . THR 46 46 17687 1 . LYS 47 47 17687 1 . LYS 48 48 17687 1 . GLU 49 49 17687 1 . VAL 50 50 17687 1 . GLU 51 51 17687 1 . LYS 52 52 17687 1 . MET 53 53 17687 1 . SER 54 54 17687 1 . LYS 55 55 17687 1 . LYS 56 56 17687 1 . MET 57 57 17687 1 . GLU 58 58 17687 1 . GLU 59 59 17687 1 . VAL 60 60 17687 1 . LYS 61 61 17687 1 . ALA 62 62 17687 1 . ALA 63 63 17687 1 . ASN 64 64 17687 1 . VAL 65 65 17687 1 . ARG 66 66 17687 1 . VAL 67 67 17687 1 . VAL 68 68 17687 1 . CYS 69 69 17687 1 . GLU 70 70 17687 1 . ASP 71 71 17687 1 . PHE 72 72 17687 1 . LEU 73 73 17687 1 . GLN 74 74 17687 1 . ASP 75 75 17687 1 . VAL 76 76 17687 1 . SER 77 77 17687 1 . ALA 78 78 17687 1 . SER 79 79 17687 1 . ALA 80 80 17687 1 . LYS 81 81 17687 1 . SER 82 82 17687 1 . LEU 83 83 17687 1 . GLN 84 84 17687 1 . GLU 85 85 17687 1 . LEU 86 86 17687 1 . LEU 87 87 17687 1 . SER 88 88 17687 1 . ALA 89 89 17687 1 . HIS 90 90 17687 1 . SER 91 91 17687 1 . LEU 92 92 17687 1 . SER 93 93 17687 1 . SER 94 94 17687 1 . TRP 95 95 17687 1 . GLY 96 96 17687 1 . ALA 97 97 17687 1 . GLU 98 98 17687 1 . VAL 99 99 17687 1 . LYS 100 100 17687 1 . HIS 101 101 17687 1 . HIS 102 102 17687 1 . HIS 103 103 17687 1 . HIS 104 104 17687 1 . HIS 105 105 17687 1 . HIS 106 106 17687 1 . MET 107 107 17687 1 . LYS 108 108 17687 1 . PRO 109 109 17687 1 . LEU 110 110 17687 1 . SER 111 111 17687 1 . ASN 112 112 17687 1 . MET 113 113 17687 1 . LYS 114 114 17687 1 . ILE 115 115 17687 1 . LEU 116 116 17687 1 . THR 117 117 17687 1 . LEU 118 118 17687 1 . GLY 119 119 17687 1 . LYS 120 120 17687 1 . LEU 121 121 17687 1 . SER 122 122 17687 1 . GLN 123 123 17687 1 . ASN 124 124 17687 1 . LYS 125 125 17687 1 . ASP 126 126 17687 1 . GLU 127 127 17687 1 . ALA 128 128 17687 1 . LYS 129 129 17687 1 . ALA 130 130 17687 1 . MET 131 131 17687 1 . ILE 132 132 17687 1 . GLU 133 133 17687 1 . LYS 134 134 17687 1 . LEU 135 135 17687 1 . GLY 136 136 17687 1 . GLY 137 137 17687 1 . LYS 138 138 17687 1 . LEU 139 139 17687 1 . THR 140 140 17687 1 . GLY 141 141 17687 1 . SER 142 142 17687 1 . ALA 143 143 17687 1 . ASN 144 144 17687 1 . LYS 145 145 17687 1 . ALA 146 146 17687 1 . SER 147 147 17687 1 . LEU 148 148 17687 1 . CYS 149 149 17687 1 . ILE 150 150 17687 1 . SER 151 151 17687 1 . THR 152 152 17687 1 . LYS 153 153 17687 1 . LYS 154 154 17687 1 . GLU 155 155 17687 1 . VAL 156 156 17687 1 . GLU 157 157 17687 1 . LYS 158 158 17687 1 . MET 159 159 17687 1 . SER 160 160 17687 1 . LYS 161 161 17687 1 . LYS 162 162 17687 1 . MET 163 163 17687 1 . GLU 164 164 17687 1 . GLU 165 165 17687 1 . VAL 166 166 17687 1 . LYS 167 167 17687 1 . ALA 168 168 17687 1 . ALA 169 169 17687 1 . ASN 170 170 17687 1 . VAL 171 171 17687 1 . ARG 172 172 17687 1 . VAL 173 173 17687 1 . VAL 174 174 17687 1 . CYS 175 175 17687 1 . GLU 176 176 17687 1 . ASP 177 177 17687 1 . PHE 178 178 17687 1 . LEU 179 179 17687 1 . GLN 180 180 17687 1 . ASP 181 181 17687 1 . VAL 182 182 17687 1 . SER 183 183 17687 1 . ALA 184 184 17687 1 . SER 185 185 17687 1 . ALA 186 186 17687 1 . LYS 187 187 17687 1 . SER 188 188 17687 1 . LEU 189 189 17687 1 . GLN 190 190 17687 1 . GLU 191 191 17687 1 . LEU 192 192 17687 1 . LEU 193 193 17687 1 . SER 194 194 17687 1 . ALA 195 195 17687 1 . HIS 196 196 17687 1 . SER 197 197 17687 1 . LEU 198 198 17687 1 . SER 199 199 17687 1 . SER 200 200 17687 1 . TRP 201 201 17687 1 . GLY 202 202 17687 1 . ALA 203 203 17687 1 . GLU 204 204 17687 1 . VAL 205 205 17687 1 . LYS 206 206 17687 1 . HIS 207 207 17687 1 . HIS 208 208 17687 1 . HIS 209 209 17687 1 . HIS 210 210 17687 1 . HIS 211 211 17687 1 . HIS 212 212 17687 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17687 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PARP-1_BRCT_domain . 10116 organism . 'Rattus norvegicus' 'norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 17687 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 17687 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PARP-1_BRCT_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet21A . . . . . . 17687 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17687 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PARP-1_BRCT_domain '[U-100% 13C; U-100% 15N]' . . 1 $PARP-1_BRCT_domain . . 3 . . mM . . . . 17687 1 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 17687 1 3 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 17687 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17687 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17687 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17687 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.18 . M 17687 1 pH 7.5 . pH 17687 1 pressure 1 . atm 17687 1 temperature 273 . K 17687 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17687 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17687 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17687 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17687 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17687 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17687 2 'structure solution' 17687 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17687 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17687 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17687 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17687 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17687 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17687 4 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 17687 _Software.ID 5 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17687 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17687 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17687 _Software.ID 6 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17687 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17687 6 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 17687 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17687 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17687 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 17687 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 1 7 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 1 8 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17687 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 17687 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.251449530 . . . . . . . . . 17687 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17687 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.101329118 . . . . . . . . . 17687 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 17687 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17687 1 2 '3D HNCA' . . . 17687 1 3 '3D HNCACB' . . . 17687 1 4 '3D CBCA(CO)NH' . . . 17687 1 5 '3D C(CO)NH' . . . 17687 1 6 '3D H(CCO)NH' . . . 17687 1 7 (HB)CB(CGCD)HD . . . 17687 1 8 (HB)CB(CGCDCE)HE . . . 17687 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.097 0.000 . 2 . . . A 1 MET HE1 . 17687 1 2 . 1 1 1 1 MET HE2 H 1 2.097 0.000 . 2 . . . A 1 MET HE2 . 17687 1 3 . 1 1 1 1 MET HE3 H 1 2.097 0.000 . 2 . . . A 1 MET HE3 . 17687 1 4 . 1 1 1 1 MET CE C 13 17.026 0.000 . 1 . . . A 1 MET CE . 17687 1 5 . 1 1 3 3 PRO HA H 1 4.449 0.000 . 1 . . . A 3 PRO HA . 17687 1 6 . 1 1 3 3 PRO HB2 H 1 1.767 0.000 . 2 . . . A 3 PRO HB2 . 17687 1 7 . 1 1 3 3 PRO HB3 H 1 2.459 0.000 . 2 . . . A 3 PRO HB3 . 17687 1 8 . 1 1 3 3 PRO HG2 H 1 1.861 0.000 . 2 . . . A 3 PRO HG2 . 17687 1 9 . 1 1 3 3 PRO HG3 H 1 2.183 0.000 . 2 . . . A 3 PRO HG3 . 17687 1 10 . 1 1 3 3 PRO HD2 H 1 3.748 0.000 . 2 . . . A 3 PRO HD2 . 17687 1 11 . 1 1 3 3 PRO HD3 H 1 3.748 0.000 . 2 . . . A 3 PRO HD3 . 17687 1 12 . 1 1 3 3 PRO CA C 13 65.153 0.000 . 1 . . . A 3 PRO CA . 17687 1 13 . 1 1 3 3 PRO CB C 13 32.695 0.000 . 1 . . . A 3 PRO CB . 17687 1 14 . 1 1 3 3 PRO CG C 13 28.249 0.000 . 1 . . . A 3 PRO CG . 17687 1 15 . 1 1 3 3 PRO CD C 13 50.931 0.000 . 1 . . . A 3 PRO CD . 17687 1 16 . 1 1 4 4 LEU H H 1 8.141 0.000 . 1 . . . A 4 LEU H . 17687 1 17 . 1 1 4 4 LEU HA H 1 4.898 0.000 . 1 . . . A 4 LEU HA . 17687 1 18 . 1 1 4 4 LEU HB2 H 1 1.662 0.000 . 2 . . . A 4 LEU HB2 . 17687 1 19 . 1 1 4 4 LEU HB3 H 1 1.353 0.000 . 2 . . . A 4 LEU HB3 . 17687 1 20 . 1 1 4 4 LEU HG H 1 1.528 0.000 . 1 . . . A 4 LEU HG . 17687 1 21 . 1 1 4 4 LEU HD11 H 1 0.801 0.000 . 2 . . . A 4 LEU HD11 . 17687 1 22 . 1 1 4 4 LEU HD12 H 1 0.801 0.000 . 2 . . . A 4 LEU HD12 . 17687 1 23 . 1 1 4 4 LEU HD13 H 1 0.801 0.000 . 2 . . . A 4 LEU HD13 . 17687 1 24 . 1 1 4 4 LEU HD21 H 1 0.947 0.000 . 2 . . . A 4 LEU HD21 . 17687 1 25 . 1 1 4 4 LEU HD22 H 1 0.947 0.000 . 2 . . . A 4 LEU HD22 . 17687 1 26 . 1 1 4 4 LEU HD23 H 1 0.947 0.000 . 2 . . . A 4 LEU HD23 . 17687 1 27 . 1 1 4 4 LEU CA C 13 52.757 0.000 . 1 . . . A 4 LEU CA . 17687 1 28 . 1 1 4 4 LEU CB C 13 39.525 0.000 . 1 . . . A 4 LEU CB . 17687 1 29 . 1 1 4 4 LEU CG C 13 27.563 0.000 . 1 . . . A 4 LEU CG . 17687 1 30 . 1 1 4 4 LEU CD1 C 13 26.263 0.000 . 2 . . . A 4 LEU CD1 . 17687 1 31 . 1 1 4 4 LEU CD2 C 13 22.339 0.000 . 2 . . . A 4 LEU CD2 . 17687 1 32 . 1 1 4 4 LEU N N 15 113.017 0.000 . 1 . . . A 4 LEU N . 17687 1 33 . 1 1 5 5 SER H H 1 7.263 0.000 . 1 . . . A 5 SER H . 17687 1 34 . 1 1 5 5 SER HA H 1 4.191 0.000 . 1 . . . A 5 SER HA . 17687 1 35 . 1 1 5 5 SER HB2 H 1 3.893 0.000 . 2 . . . A 5 SER HB2 . 17687 1 36 . 1 1 5 5 SER HB3 H 1 3.893 0.000 . 2 . . . A 5 SER HB3 . 17687 1 37 . 1 1 5 5 SER CA C 13 60.866 0.000 . 1 . . . A 5 SER CA . 17687 1 38 . 1 1 5 5 SER CB C 13 63.726 0.000 . 1 . . . A 5 SER CB . 17687 1 39 . 1 1 5 5 SER N N 15 112.767 0.000 . 1 . . . A 5 SER N . 17687 1 40 . 1 1 6 6 ASN H H 1 8.562 0.000 . 1 . . . A 6 ASN H . 17687 1 41 . 1 1 6 6 ASN HA H 1 4.344 0.000 . 1 . . . A 6 ASN HA . 17687 1 42 . 1 1 6 6 ASN HB2 H 1 3.007 0.000 . 2 . . . A 6 ASN HB2 . 17687 1 43 . 1 1 6 6 ASN HB3 H 1 3.007 0.000 . 2 . . . A 6 ASN HB3 . 17687 1 44 . 1 1 6 6 ASN HD21 H 1 6.961 0.000 . 2 . . . A 6 ASN HD21 . 17687 1 45 . 1 1 6 6 ASN HD22 H 1 7.575 0.000 . 2 . . . A 6 ASN HD22 . 17687 1 46 . 1 1 6 6 ASN CA C 13 55.504 0.000 . 1 . . . A 6 ASN CA . 17687 1 47 . 1 1 6 6 ASN CB C 13 37.838 0.000 . 1 . . . A 6 ASN CB . 17687 1 48 . 1 1 6 6 ASN N N 15 116.883 0.000 . 1 . . . A 6 ASN N . 17687 1 49 . 1 1 6 6 ASN ND2 N 15 114.200 0.000 . 1 . . . A 6 ASN ND2 . 17687 1 50 . 1 1 7 7 MET H H 1 8.180 0.000 . 1 . . . A 7 MET H . 17687 1 51 . 1 1 7 7 MET HA H 1 4.595 0.000 . 1 . . . A 7 MET HA . 17687 1 52 . 1 1 7 7 MET HB2 H 1 1.667 0.000 . 2 . . . A 7 MET HB2 . 17687 1 53 . 1 1 7 7 MET HB3 H 1 2.189 0.000 . 2 . . . A 7 MET HB3 . 17687 1 54 . 1 1 7 7 MET HG2 H 1 2.407 0.000 . 2 . . . A 7 MET HG2 . 17687 1 55 . 1 1 7 7 MET HG3 H 1 2.407 0.000 . 2 . . . A 7 MET HG3 . 17687 1 56 . 1 1 7 7 MET HE1 H 1 2.015 0.000 . 2 . . . A 7 MET HE1 . 17687 1 57 . 1 1 7 7 MET HE2 H 1 2.015 0.000 . 2 . . . A 7 MET HE2 . 17687 1 58 . 1 1 7 7 MET HE3 H 1 2.015 0.000 . 2 . . . A 7 MET HE3 . 17687 1 59 . 1 1 7 7 MET CA C 13 56.207 0.000 . 1 . . . A 7 MET CA . 17687 1 60 . 1 1 7 7 MET CB C 13 35.255 0.000 . 1 . . . A 7 MET CB . 17687 1 61 . 1 1 7 7 MET CG C 13 32.468 0.000 . 1 . . . A 7 MET CG . 17687 1 62 . 1 1 7 7 MET CE C 13 17.625 0.000 . 1 . . . A 7 MET CE . 17687 1 63 . 1 1 7 7 MET N N 15 117.588 0.000 . 1 . . . A 7 MET N . 17687 1 64 . 1 1 8 8 LYS H H 1 8.393 0.000 . 1 . . . A 8 LYS H . 17687 1 65 . 1 1 8 8 LYS HA H 1 5.257 0.000 . 1 . . . A 8 LYS HA . 17687 1 66 . 1 1 8 8 LYS HB2 H 1 1.430 0.000 . 2 . . . A 8 LYS HB2 . 17687 1 67 . 1 1 8 8 LYS HB3 H 1 2.092 0.000 . 2 . . . A 8 LYS HB3 . 17687 1 68 . 1 1 8 8 LYS HG2 H 1 1.310 0.000 . 2 . . . A 8 LYS HG2 . 17687 1 69 . 1 1 8 8 LYS HG3 H 1 1.310 0.000 . 2 . . . A 8 LYS HG3 . 17687 1 70 . 1 1 8 8 LYS HD2 H 1 1.640 0.000 . 2 . . . A 8 LYS HD2 . 17687 1 71 . 1 1 8 8 LYS HD3 H 1 1.640 0.000 . 2 . . . A 8 LYS HD3 . 17687 1 72 . 1 1 8 8 LYS HE2 H 1 2.983 0.000 . 2 . . . A 8 LYS HE2 . 17687 1 73 . 1 1 8 8 LYS HE3 H 1 2.983 0.000 . 2 . . . A 8 LYS HE3 . 17687 1 74 . 1 1 8 8 LYS CA C 13 54.621 0.000 . 1 . . . A 8 LYS CA . 17687 1 75 . 1 1 8 8 LYS CB C 13 33.717 0.000 . 1 . . . A 8 LYS CB . 17687 1 76 . 1 1 8 8 LYS CG C 13 25.685 0.000 . 1 . . . A 8 LYS CG . 17687 1 77 . 1 1 8 8 LYS CD C 13 29.324 0.000 . 1 . . . A 8 LYS CD . 17687 1 78 . 1 1 8 8 LYS CE C 13 42.334 0.000 . 1 . . . A 8 LYS CE . 17687 1 79 . 1 1 8 8 LYS N N 15 121.769 0.000 . 1 . . . A 8 LYS N . 17687 1 80 . 1 1 9 9 ILE H H 1 9.522 0.000 . 1 . . . A 9 ILE H . 17687 1 81 . 1 1 9 9 ILE HA H 1 4.759 0.000 . 1 . . . A 9 ILE HA . 17687 1 82 . 1 1 9 9 ILE HB H 1 1.820 0.000 . 1 . . . A 9 ILE HB . 17687 1 83 . 1 1 9 9 ILE HG12 H 1 1.324 0.000 . 2 . . . A 9 ILE HG12 . 17687 1 84 . 1 1 9 9 ILE HG13 H 1 1.324 0.000 . 2 . . . A 9 ILE HG13 . 17687 1 85 . 1 1 9 9 ILE HG21 H 1 0.767 0.000 . 1 . . . A 9 ILE HG21 . 17687 1 86 . 1 1 9 9 ILE HG22 H 1 0.767 0.000 . 1 . . . A 9 ILE HG22 . 17687 1 87 . 1 1 9 9 ILE HG23 H 1 0.767 0.000 . 1 . . . A 9 ILE HG23 . 17687 1 88 . 1 1 9 9 ILE HD11 H 1 0.767 0.000 . 1 . . . A 9 ILE HD11 . 17687 1 89 . 1 1 9 9 ILE HD12 H 1 0.767 0.000 . 1 . . . A 9 ILE HD12 . 17687 1 90 . 1 1 9 9 ILE HD13 H 1 0.767 0.000 . 1 . . . A 9 ILE HD13 . 17687 1 91 . 1 1 9 9 ILE CA C 13 59.259 0.000 . 1 . . . A 9 ILE CA . 17687 1 92 . 1 1 9 9 ILE CB C 13 39.585 0.000 . 1 . . . A 9 ILE CB . 17687 1 93 . 1 1 9 9 ILE CG1 C 13 28.610 0.000 . 1 . . . A 9 ILE CG1 . 17687 1 94 . 1 1 9 9 ILE CG2 C 13 18.119 0.000 . 1 . . . A 9 ILE CG2 . 17687 1 95 . 1 1 9 9 ILE CD1 C 13 13.217 0.000 . 1 . . . A 9 ILE CD1 . 17687 1 96 . 1 1 9 9 ILE N N 15 125.823 0.000 . 1 . . . A 9 ILE N . 17687 1 97 . 1 1 10 10 LEU H H 1 8.326 0.000 . 1 . . . A 10 LEU H . 17687 1 98 . 1 1 10 10 LEU HA H 1 5.211 0.000 . 1 . . . A 10 LEU HA . 17687 1 99 . 1 1 10 10 LEU HB2 H 1 1.259 0.000 . 2 . . . A 10 LEU HB2 . 17687 1 100 . 1 1 10 10 LEU HB3 H 1 1.518 0.000 . 2 . . . A 10 LEU HB3 . 17687 1 101 . 1 1 10 10 LEU HG H 1 1.526 0.000 . 1 . . . A 10 LEU HG . 17687 1 102 . 1 1 10 10 LEU HD11 H 1 0.831 0.000 . 2 . . . A 10 LEU HD11 . 17687 1 103 . 1 1 10 10 LEU HD12 H 1 0.831 0.000 . 2 . . . A 10 LEU HD12 . 17687 1 104 . 1 1 10 10 LEU HD13 H 1 0.831 0.000 . 2 . . . A 10 LEU HD13 . 17687 1 105 . 1 1 10 10 LEU HD21 H 1 0.707 0.000 . 2 . . . A 10 LEU HD21 . 17687 1 106 . 1 1 10 10 LEU HD22 H 1 0.707 0.000 . 2 . . . A 10 LEU HD22 . 17687 1 107 . 1 1 10 10 LEU HD23 H 1 0.707 0.000 . 2 . . . A 10 LEU HD23 . 17687 1 108 . 1 1 10 10 LEU CA C 13 53.097 0.000 . 1 . . . A 10 LEU CA . 17687 1 109 . 1 1 10 10 LEU CB C 13 46.884 0.000 . 1 . . . A 10 LEU CB . 17687 1 110 . 1 1 10 10 LEU CG C 13 27.205 0.000 . 1 . . . A 10 LEU CG . 17687 1 111 . 1 1 10 10 LEU CD1 C 13 24.744 0.000 . 2 . . . A 10 LEU CD1 . 17687 1 112 . 1 1 10 10 LEU CD2 C 13 27.205 0.000 . 2 . . . A 10 LEU CD2 . 17687 1 113 . 1 1 10 10 LEU N N 15 129.993 0.000 . 1 . . . A 10 LEU N . 17687 1 114 . 1 1 11 11 THR H H 1 8.845 0.000 . 1 . . . A 11 THR H . 17687 1 115 . 1 1 11 11 THR HA H 1 5.378 0.000 . 1 . . . A 11 THR HA . 17687 1 116 . 1 1 11 11 THR HB H 1 4.201 0.000 . 1 . . . A 11 THR HB . 17687 1 117 . 1 1 11 11 THR HG21 H 1 0.950 0.000 . 1 . . . A 11 THR HG21 . 17687 1 118 . 1 1 11 11 THR HG22 H 1 0.950 0.000 . 1 . . . A 11 THR HG22 . 17687 1 119 . 1 1 11 11 THR HG23 H 1 0.950 0.000 . 1 . . . A 11 THR HG23 . 17687 1 120 . 1 1 11 11 THR CA C 13 59.587 0.000 . 1 . . . A 11 THR CA . 17687 1 121 . 1 1 11 11 THR CB C 13 69.812 0.000 . 1 . . . A 11 THR CB . 17687 1 122 . 1 1 11 11 THR CG2 C 13 20.588 0.000 . 1 . . . A 11 THR CG2 . 17687 1 123 . 1 1 11 11 THR N N 15 117.860 0.000 . 1 . . . A 11 THR N . 17687 1 124 . 1 1 12 12 LEU H H 1 8.275 0.000 . 1 . . . A 12 LEU H . 17687 1 125 . 1 1 12 12 LEU HA H 1 4.717 0.000 . 1 . . . A 12 LEU HA . 17687 1 126 . 1 1 12 12 LEU HB2 H 1 1.320 0.000 . 2 . . . A 12 LEU HB2 . 17687 1 127 . 1 1 12 12 LEU HB3 H 1 1.320 0.000 . 2 . . . A 12 LEU HB3 . 17687 1 128 . 1 1 12 12 LEU HG H 1 1.451 0.000 . 1 . . . A 12 LEU HG . 17687 1 129 . 1 1 12 12 LEU HD11 H 1 0.846 0.000 . 2 . . . A 12 LEU HD11 . 17687 1 130 . 1 1 12 12 LEU HD12 H 1 0.846 0.000 . 2 . . . A 12 LEU HD12 . 17687 1 131 . 1 1 12 12 LEU HD13 H 1 0.846 0.000 . 2 . . . A 12 LEU HD13 . 17687 1 132 . 1 1 12 12 LEU HD21 H 1 0.846 0.000 . 2 . . . A 12 LEU HD21 . 17687 1 133 . 1 1 12 12 LEU HD22 H 1 0.846 0.000 . 2 . . . A 12 LEU HD22 . 17687 1 134 . 1 1 12 12 LEU HD23 H 1 0.846 0.000 . 2 . . . A 12 LEU HD23 . 17687 1 135 . 1 1 12 12 LEU CA C 13 54.934 0.000 . 1 . . . A 12 LEU CA . 17687 1 136 . 1 1 12 12 LEU CB C 13 46.477 0.000 . 1 . . . A 12 LEU CB . 17687 1 137 . 1 1 12 12 LEU CG C 13 28.051 0.000 . 1 . . . A 12 LEU CG . 17687 1 138 . 1 1 12 12 LEU CD1 C 13 24.419 0.000 . 2 . . . A 12 LEU CD1 . 17687 1 139 . 1 1 12 12 LEU CD2 C 13 26.393 0.000 . 2 . . . A 12 LEU CD2 . 17687 1 140 . 1 1 12 12 LEU N N 15 123.761 0.000 . 1 . . . A 12 LEU N . 17687 1 141 . 1 1 13 13 GLY H H 1 8.807 0.000 . 1 . . . A 13 GLY H . 17687 1 142 . 1 1 13 13 GLY CA C 13 43.428 0.000 . 1 . . . A 13 GLY CA . 17687 1 143 . 1 1 13 13 GLY N N 15 114.186 0.000 . 1 . . . A 13 GLY N . 17687 1 144 . 1 1 14 14 LYS HA H 1 4.292 0.000 . 1 . . . A 14 LYS HA . 17687 1 145 . 1 1 14 14 LYS HB2 H 1 1.761 0.000 . 2 . . . A 14 LYS HB2 . 17687 1 146 . 1 1 14 14 LYS HB3 H 1 1.761 0.000 . 2 . . . A 14 LYS HB3 . 17687 1 147 . 1 1 14 14 LYS HG2 H 1 1.435 0.000 . 2 . . . A 14 LYS HG2 . 17687 1 148 . 1 1 14 14 LYS HG3 H 1 1.435 0.000 . 2 . . . A 14 LYS HG3 . 17687 1 149 . 1 1 14 14 LYS HD2 H 1 1.711 0.000 . 2 . . . A 14 LYS HD2 . 17687 1 150 . 1 1 14 14 LYS HD3 H 1 1.711 0.000 . 2 . . . A 14 LYS HD3 . 17687 1 151 . 1 1 14 14 LYS HE2 H 1 3.028 0.000 . 2 . . . A 14 LYS HE2 . 17687 1 152 . 1 1 14 14 LYS HE3 H 1 3.028 0.000 . 2 . . . A 14 LYS HE3 . 17687 1 153 . 1 1 14 14 LYS CA C 13 56.315 0.000 . 1 . . . A 14 LYS CA . 17687 1 154 . 1 1 14 14 LYS CB C 13 32.044 0.000 . 1 . . . A 14 LYS CB . 17687 1 155 . 1 1 14 14 LYS CG C 13 24.685 0.000 . 1 . . . A 14 LYS CG . 17687 1 156 . 1 1 14 14 LYS CD C 13 29.152 0.000 . 1 . . . A 14 LYS CD . 17687 1 157 . 1 1 14 14 LYS CE C 13 42.291 0.000 . 1 . . . A 14 LYS CE . 17687 1 158 . 1 1 15 15 LEU H H 1 8.228 0.000 . 1 . . . A 15 LEU H . 17687 1 159 . 1 1 15 15 LEU HA H 1 4.459 0.000 . 1 . . . A 15 LEU HA . 17687 1 160 . 1 1 15 15 LEU HB2 H 1 1.821 0.000 . 2 . . . A 15 LEU HB2 . 17687 1 161 . 1 1 15 15 LEU HB3 H 1 1.821 0.000 . 2 . . . A 15 LEU HB3 . 17687 1 162 . 1 1 15 15 LEU HG H 1 1.716 0.000 . 1 . . . A 15 LEU HG . 17687 1 163 . 1 1 15 15 LEU HD11 H 1 0.707 0.000 . 2 . . . A 15 LEU HD11 . 17687 1 164 . 1 1 15 15 LEU HD12 H 1 0.707 0.000 . 2 . . . A 15 LEU HD12 . 17687 1 165 . 1 1 15 15 LEU HD13 H 1 0.707 0.000 . 2 . . . A 15 LEU HD13 . 17687 1 166 . 1 1 15 15 LEU HD21 H 1 0.707 0.000 . 2 . . . A 15 LEU HD21 . 17687 1 167 . 1 1 15 15 LEU HD22 H 1 0.707 0.000 . 2 . . . A 15 LEU HD22 . 17687 1 168 . 1 1 15 15 LEU HD23 H 1 0.707 0.000 . 2 . . . A 15 LEU HD23 . 17687 1 169 . 1 1 15 15 LEU CA C 13 53.797 0.000 . 1 . . . A 15 LEU CA . 17687 1 170 . 1 1 15 15 LEU CB C 13 41.391 0.000 . 1 . . . A 15 LEU CB . 17687 1 171 . 1 1 15 15 LEU CG C 13 27.060 0.000 . 1 . . . A 15 LEU CG . 17687 1 172 . 1 1 15 15 LEU CD1 C 13 25.183 0.000 . 2 . . . A 15 LEU CD1 . 17687 1 173 . 1 1 15 15 LEU CD2 C 13 22.124 0.000 . 2 . . . A 15 LEU CD2 . 17687 1 174 . 1 1 15 15 LEU N N 15 127.999 0.000 . 1 . . . A 15 LEU N . 17687 1 175 . 1 1 16 16 SER H H 1 10.603 0.000 . 1 . . . A 16 SER H . 17687 1 176 . 1 1 16 16 SER HA H 1 4.267 0.000 . 1 . . . A 16 SER HA . 17687 1 177 . 1 1 16 16 SER HB2 H 1 3.939 0.000 . 2 . . . A 16 SER HB2 . 17687 1 178 . 1 1 16 16 SER HB3 H 1 3.939 0.000 . 2 . . . A 16 SER HB3 . 17687 1 179 . 1 1 16 16 SER CA C 13 61.105 0.000 . 1 . . . A 16 SER CA . 17687 1 180 . 1 1 16 16 SER CB C 13 63.205 0.000 . 1 . . . A 16 SER CB . 17687 1 181 . 1 1 16 16 SER N N 15 119.551 0.000 . 1 . . . A 16 SER N . 17687 1 182 . 1 1 17 17 GLN H H 1 7.995 0.000 . 1 . . . A 17 GLN H . 17687 1 183 . 1 1 17 17 GLN HA H 1 4.447 0.000 . 1 . . . A 17 GLN HA . 17687 1 184 . 1 1 17 17 GLN HB2 H 1 1.982 0.000 . 2 . . . A 17 GLN HB2 . 17687 1 185 . 1 1 17 17 GLN HB3 H 1 1.982 0.000 . 2 . . . A 17 GLN HB3 . 17687 1 186 . 1 1 17 17 GLN HG2 H 1 2.256 0.000 . 2 . . . A 17 GLN HG2 . 17687 1 187 . 1 1 17 17 GLN HG3 H 1 2.256 0.000 . 2 . . . A 17 GLN HG3 . 17687 1 188 . 1 1 17 17 GLN HE21 H 1 6.125 0.000 . 2 . . . A 17 GLN HE21 . 17687 1 189 . 1 1 17 17 GLN HE22 H 1 7.800 0.000 . 2 . . . A 17 GLN HE22 . 17687 1 190 . 1 1 17 17 GLN CA C 13 54.569 0.000 . 1 . . . A 17 GLN CA . 17687 1 191 . 1 1 17 17 GLN CB C 13 31.078 0.000 . 1 . . . A 17 GLN CB . 17687 1 192 . 1 1 17 17 GLN CG C 13 33.860 0.000 . 1 . . . A 17 GLN CG . 17687 1 193 . 1 1 17 17 GLN N N 15 120.371 0.000 . 1 . . . A 17 GLN N . 17687 1 194 . 1 1 17 17 GLN NE2 N 15 108.407 0.000 . 1 . . . A 17 GLN NE2 . 17687 1 195 . 1 1 18 18 ASN H H 1 8.791 0.000 . 1 . . . A 18 ASN H . 17687 1 196 . 1 1 18 18 ASN HD21 H 1 7.144 0.000 . 2 . . . A 18 ASN HD21 . 17687 1 197 . 1 1 18 18 ASN HD22 H 1 7.717 0.000 . 2 . . . A 18 ASN HD22 . 17687 1 198 . 1 1 18 18 ASN CA C 13 53.094 0.000 . 1 . . . A 18 ASN CA . 17687 1 199 . 1 1 18 18 ASN CB C 13 38.975 0.000 . 1 . . . A 18 ASN CB . 17687 1 200 . 1 1 18 18 ASN N N 15 120.271 0.000 . 1 . . . A 18 ASN N . 17687 1 201 . 1 1 18 18 ASN ND2 N 15 113.896 0.000 . 1 . . . A 18 ASN ND2 . 17687 1 202 . 1 1 19 19 LYS HA H 1 3.968 0.000 . 1 . . . A 19 LYS HA . 17687 1 203 . 1 1 19 19 LYS HB2 H 1 1.874 0.000 . 2 . . . A 19 LYS HB2 . 17687 1 204 . 1 1 19 19 LYS HB3 H 1 1.874 0.000 . 2 . . . A 19 LYS HB3 . 17687 1 205 . 1 1 19 19 LYS HG2 H 1 1.429 0.000 . 2 . . . A 19 LYS HG2 . 17687 1 206 . 1 1 19 19 LYS HG3 H 1 1.475 0.000 . 2 . . . A 19 LYS HG3 . 17687 1 207 . 1 1 19 19 LYS HD2 H 1 1.699 0.000 . 2 . . . A 19 LYS HD2 . 17687 1 208 . 1 1 19 19 LYS HD3 H 1 1.699 0.000 . 2 . . . A 19 LYS HD3 . 17687 1 209 . 1 1 19 19 LYS HE2 H 1 3.014 0.000 . 2 . . . A 19 LYS HE2 . 17687 1 210 . 1 1 19 19 LYS HE3 H 1 3.014 0.000 . 2 . . . A 19 LYS HE3 . 17687 1 211 . 1 1 19 19 LYS CA C 13 59.968 0.000 . 1 . . . A 19 LYS CA . 17687 1 212 . 1 1 19 19 LYS CB C 13 32.094 0.000 . 1 . . . A 19 LYS CB . 17687 1 213 . 1 1 19 19 LYS CG C 13 24.393 0.000 . 1 . . . A 19 LYS CG . 17687 1 214 . 1 1 19 19 LYS CD C 13 29.207 0.000 . 1 . . . A 19 LYS CD . 17687 1 215 . 1 1 19 19 LYS CE C 13 42.143 0.000 . 1 . . . A 19 LYS CE . 17687 1 216 . 1 1 20 20 ASP H H 1 8.210 0.000 . 1 . . . A 20 ASP H . 17687 1 217 . 1 1 20 20 ASP HA H 1 4.446 0.000 . 1 . . . A 20 ASP HA . 17687 1 218 . 1 1 20 20 ASP HB2 H 1 2.690 0.000 . 2 . . . A 20 ASP HB2 . 17687 1 219 . 1 1 20 20 ASP HB3 H 1 2.690 0.000 . 2 . . . A 20 ASP HB3 . 17687 1 220 . 1 1 20 20 ASP CA C 13 57.251 0.000 . 1 . . . A 20 ASP CA . 17687 1 221 . 1 1 20 20 ASP CB C 13 40.241 0.000 . 1 . . . A 20 ASP CB . 17687 1 222 . 1 1 20 20 ASP N N 15 119.843 0.000 . 1 . . . A 20 ASP N . 17687 1 223 . 1 1 21 21 GLU H H 1 8.184 0.000 . 1 . . . A 21 GLU H . 17687 1 224 . 1 1 21 21 GLU HA H 1 4.061 0.000 . 1 . . . A 21 GLU HA . 17687 1 225 . 1 1 21 21 GLU HB2 H 1 2.108 0.000 . 2 . . . A 21 GLU HB2 . 17687 1 226 . 1 1 21 21 GLU HB3 H 1 2.108 0.000 . 2 . . . A 21 GLU HB3 . 17687 1 227 . 1 1 21 21 GLU HG2 H 1 2.389 0.000 . 2 . . . A 21 GLU HG2 . 17687 1 228 . 1 1 21 21 GLU HG3 H 1 2.389 0.000 . 2 . . . A 21 GLU HG3 . 17687 1 229 . 1 1 21 21 GLU CA C 13 58.912 0.000 . 1 . . . A 21 GLU CA . 17687 1 230 . 1 1 21 21 GLU CB C 13 29.685 0.000 . 1 . . . A 21 GLU CB . 17687 1 231 . 1 1 21 21 GLU CG C 13 36.650 0.000 . 1 . . . A 21 GLU CG . 17687 1 232 . 1 1 21 21 GLU N N 15 123.153 0.000 . 1 . . . A 21 GLU N . 17687 1 233 . 1 1 22 22 ALA H H 1 8.488 0.000 . 1 . . . A 22 ALA H . 17687 1 234 . 1 1 22 22 ALA HA H 1 3.938 0.000 . 1 . . . A 22 ALA HA . 17687 1 235 . 1 1 22 22 ALA HB1 H 1 1.241 0.000 . 1 . . . A 22 ALA HB1 . 17687 1 236 . 1 1 22 22 ALA HB2 H 1 1.241 0.000 . 1 . . . A 22 ALA HB2 . 17687 1 237 . 1 1 22 22 ALA HB3 H 1 1.241 0.000 . 1 . . . A 22 ALA HB3 . 17687 1 238 . 1 1 22 22 ALA CA C 13 55.418 0.000 . 1 . . . A 22 ALA CA . 17687 1 239 . 1 1 22 22 ALA CB C 13 17.126 0.000 . 1 . . . A 22 ALA CB . 17687 1 240 . 1 1 22 22 ALA N N 15 123.071 0.000 . 1 . . . A 22 ALA N . 17687 1 241 . 1 1 23 23 LYS H H 1 8.005 0.000 . 1 . . . A 23 LYS H . 17687 1 242 . 1 1 23 23 LYS HA H 1 3.717 0.000 . 1 . . . A 23 LYS HA . 17687 1 243 . 1 1 23 23 LYS HB2 H 1 1.950 0.000 . 2 . . . A 23 LYS HB2 . 17687 1 244 . 1 1 23 23 LYS HB3 H 1 1.950 0.000 . 2 . . . A 23 LYS HB3 . 17687 1 245 . 1 1 23 23 LYS HG2 H 1 1.359 0.000 . 2 . . . A 23 LYS HG2 . 17687 1 246 . 1 1 23 23 LYS HG3 H 1 1.359 0.000 . 2 . . . A 23 LYS HG3 . 17687 1 247 . 1 1 23 23 LYS HD2 H 1 1.703 0.000 . 2 . . . A 23 LYS HD2 . 17687 1 248 . 1 1 23 23 LYS HD3 H 1 1.703 0.000 . 2 . . . A 23 LYS HD3 . 17687 1 249 . 1 1 23 23 LYS HE2 H 1 3.018 0.000 . 2 . . . A 23 LYS HE2 . 17687 1 250 . 1 1 23 23 LYS HE3 H 1 3.018 0.000 . 2 . . . A 23 LYS HE3 . 17687 1 251 . 1 1 23 23 LYS CA C 13 60.418 0.000 . 1 . . . A 23 LYS CA . 17687 1 252 . 1 1 23 23 LYS CB C 13 32.908 0.000 . 1 . . . A 23 LYS CB . 17687 1 253 . 1 1 23 23 LYS CG C 13 24.615 0.000 . 1 . . . A 23 LYS CG . 17687 1 254 . 1 1 23 23 LYS CD C 13 30.018 0.000 . 1 . . . A 23 LYS CD . 17687 1 255 . 1 1 23 23 LYS CE C 13 42.150 0.000 . 1 . . . A 23 LYS CE . 17687 1 256 . 1 1 23 23 LYS N N 15 117.509 0.000 . 1 . . . A 23 LYS N . 17687 1 257 . 1 1 24 24 ALA H H 1 7.672 0.000 . 1 . . . A 24 ALA H . 17687 1 258 . 1 1 24 24 ALA HA H 1 4.165 0.000 . 1 . . . A 24 ALA HA . 17687 1 259 . 1 1 24 24 ALA HB1 H 1 1.489 0.000 . 1 . . . A 24 ALA HB1 . 17687 1 260 . 1 1 24 24 ALA HB2 H 1 1.489 0.000 . 1 . . . A 24 ALA HB2 . 17687 1 261 . 1 1 24 24 ALA HB3 H 1 1.489 0.000 . 1 . . . A 24 ALA HB3 . 17687 1 262 . 1 1 24 24 ALA CA C 13 54.986 0.000 . 1 . . . A 24 ALA CA . 17687 1 263 . 1 1 24 24 ALA CB C 13 17.955 0.000 . 1 . . . A 24 ALA CB . 17687 1 264 . 1 1 24 24 ALA N N 15 118.969 0.000 . 1 . . . A 24 ALA N . 17687 1 265 . 1 1 25 25 MET H H 1 8.025 0.000 . 1 . . . A 25 MET H . 17687 1 266 . 1 1 25 25 MET HA H 1 4.162 0.000 . 1 . . . A 25 MET HA . 17687 1 267 . 1 1 25 25 MET HB2 H 1 2.140 0.000 . 2 . . . A 25 MET HB2 . 17687 1 268 . 1 1 25 25 MET HB3 H 1 2.542 0.000 . 2 . . . A 25 MET HB3 . 17687 1 269 . 1 1 25 25 MET HG2 H 1 2.531 0.000 . 2 . . . A 25 MET HG2 . 17687 1 270 . 1 1 25 25 MET HG3 H 1 2.531 0.000 . 2 . . . A 25 MET HG3 . 17687 1 271 . 1 1 25 25 MET HE1 H 1 1.992 0.000 . 2 . . . A 25 MET HE1 . 17687 1 272 . 1 1 25 25 MET HE2 H 1 1.992 0.000 . 2 . . . A 25 MET HE2 . 17687 1 273 . 1 1 25 25 MET HE3 H 1 1.992 0.000 . 2 . . . A 25 MET HE3 . 17687 1 274 . 1 1 25 25 MET CA C 13 58.619 0.000 . 1 . . . A 25 MET CA . 17687 1 275 . 1 1 25 25 MET CB C 13 32.718 0.000 . 1 . . . A 25 MET CB . 17687 1 276 . 1 1 25 25 MET CG C 13 32.458 0.000 . 1 . . . A 25 MET CG . 17687 1 277 . 1 1 25 25 MET CE C 13 17.215 0.000 . 1 . . . A 25 MET CE . 17687 1 278 . 1 1 25 25 MET N N 15 119.046 0.000 . 1 . . . A 25 MET N . 17687 1 279 . 1 1 26 26 ILE H H 1 8.417 0.000 . 1 . . . A 26 ILE H . 17687 1 280 . 1 1 26 26 ILE HA H 1 3.263 0.000 . 1 . . . A 26 ILE HA . 17687 1 281 . 1 1 26 26 ILE HB H 1 1.874 0.000 . 1 . . . A 26 ILE HB . 17687 1 282 . 1 1 26 26 ILE HG12 H 1 0.607 0.000 . 2 . . . A 26 ILE HG12 . 17687 1 283 . 1 1 26 26 ILE HG13 H 1 0.607 0.000 . 2 . . . A 26 ILE HG13 . 17687 1 284 . 1 1 26 26 ILE HG21 H 1 0.607 0.000 . 1 . . . A 26 ILE HG21 . 17687 1 285 . 1 1 26 26 ILE HG22 H 1 0.607 0.000 . 1 . . . A 26 ILE HG22 . 17687 1 286 . 1 1 26 26 ILE HG23 H 1 0.607 0.000 . 1 . . . A 26 ILE HG23 . 17687 1 287 . 1 1 26 26 ILE HD11 H 1 0.657 0.000 . 1 . . . A 26 ILE HD11 . 17687 1 288 . 1 1 26 26 ILE HD12 H 1 0.657 0.000 . 1 . . . A 26 ILE HD12 . 17687 1 289 . 1 1 26 26 ILE HD13 H 1 0.657 0.000 . 1 . . . A 26 ILE HD13 . 17687 1 290 . 1 1 26 26 ILE CA C 13 66.260 0.000 . 1 . . . A 26 ILE CA . 17687 1 291 . 1 1 26 26 ILE CB C 13 38.067 0.000 . 1 . . . A 26 ILE CB . 17687 1 292 . 1 1 26 26 ILE CG1 C 13 31.655 0.000 . 1 . . . A 26 ILE CG1 . 17687 1 293 . 1 1 26 26 ILE CG2 C 13 16.743 0.000 . 1 . . . A 26 ILE CG2 . 17687 1 294 . 1 1 26 26 ILE CD1 C 13 13.933 0.000 . 1 . . . A 26 ILE CD1 . 17687 1 295 . 1 1 26 26 ILE N N 15 118.958 0.000 . 1 . . . A 26 ILE N . 17687 1 296 . 1 1 27 27 GLU H H 1 8.429 0.000 . 1 . . . A 27 GLU H . 17687 1 297 . 1 1 27 27 GLU HA H 1 4.504 0.000 . 1 . . . A 27 GLU HA . 17687 1 298 . 1 1 27 27 GLU HB2 H 1 2.035 0.000 . 2 . . . A 27 GLU HB2 . 17687 1 299 . 1 1 27 27 GLU HB3 H 1 2.035 0.000 . 2 . . . A 27 GLU HB3 . 17687 1 300 . 1 1 27 27 GLU HG2 H 1 2.639 0.000 . 2 . . . A 27 GLU HG2 . 17687 1 301 . 1 1 27 27 GLU HG3 H 1 2.387 0.000 . 2 . . . A 27 GLU HG3 . 17687 1 302 . 1 1 27 27 GLU CA C 13 58.907 0.000 . 1 . . . A 27 GLU CA . 17687 1 303 . 1 1 27 27 GLU CB C 13 28.969 0.000 . 1 . . . A 27 GLU CB . 17687 1 304 . 1 1 27 27 GLU CG C 13 37.165 0.000 . 1 . . . A 27 GLU CG . 17687 1 305 . 1 1 27 27 GLU N N 15 117.993 0.000 . 1 . . . A 27 GLU N . 17687 1 306 . 1 1 28 28 LYS H H 1 8.373 0.000 . 1 . . . A 28 LYS H . 17687 1 307 . 1 1 28 28 LYS HA H 1 4.123 0.000 . 1 . . . A 28 LYS HA . 17687 1 308 . 1 1 28 28 LYS HB2 H 1 2.058 0.000 . 2 . . . A 28 LYS HB2 . 17687 1 309 . 1 1 28 28 LYS HB3 H 1 2.058 0.000 . 2 . . . A 28 LYS HB3 . 17687 1 310 . 1 1 28 28 LYS HG2 H 1 1.547 0.000 . 2 . . . A 28 LYS HG2 . 17687 1 311 . 1 1 28 28 LYS HG3 H 1 1.547 0.000 . 2 . . . A 28 LYS HG3 . 17687 1 312 . 1 1 28 28 LYS HD2 H 1 1.714 0.000 . 2 . . . A 28 LYS HD2 . 17687 1 313 . 1 1 28 28 LYS HD3 H 1 1.714 0.000 . 2 . . . A 28 LYS HD3 . 17687 1 314 . 1 1 28 28 LYS HE2 H 1 2.992 0.000 . 2 . . . A 28 LYS HE2 . 17687 1 315 . 1 1 28 28 LYS HE3 H 1 2.992 0.000 . 2 . . . A 28 LYS HE3 . 17687 1 316 . 1 1 28 28 LYS CA C 13 59.551 0.000 . 1 . . . A 28 LYS CA . 17687 1 317 . 1 1 28 28 LYS CB C 13 32.044 0.000 . 1 . . . A 28 LYS CB . 17687 1 318 . 1 1 28 28 LYS CG C 13 25.057 0.000 . 1 . . . A 28 LYS CG . 17687 1 319 . 1 1 28 28 LYS CD C 13 29.535 0.000 . 1 . . . A 28 LYS CD . 17687 1 320 . 1 1 28 28 LYS CE C 13 42.123 0.000 . 1 . . . A 28 LYS CE . 17687 1 321 . 1 1 28 28 LYS N N 15 124.297 0.000 . 1 . . . A 28 LYS N . 17687 1 322 . 1 1 29 29 LEU H H 1 7.433 0.000 . 1 . . . A 29 LEU H . 17687 1 323 . 1 1 29 29 LEU HA H 1 4.418 0.000 . 1 . . . A 29 LEU HA . 17687 1 324 . 1 1 29 29 LEU HB2 H 1 1.935 0.000 . 2 . . . A 29 LEU HB2 . 17687 1 325 . 1 1 29 29 LEU HB3 H 1 1.514 0.000 . 2 . . . A 29 LEU HB3 . 17687 1 326 . 1 1 29 29 LEU HG H 1 1.957 0.000 . 1 . . . A 29 LEU HG . 17687 1 327 . 1 1 29 29 LEU HD11 H 1 0.707 0.000 . 2 . . . A 29 LEU HD11 . 17687 1 328 . 1 1 29 29 LEU HD12 H 1 0.707 0.000 . 2 . . . A 29 LEU HD12 . 17687 1 329 . 1 1 29 29 LEU HD13 H 1 0.707 0.000 . 2 . . . A 29 LEU HD13 . 17687 1 330 . 1 1 29 29 LEU HD21 H 1 0.830 0.000 . 2 . . . A 29 LEU HD21 . 17687 1 331 . 1 1 29 29 LEU HD22 H 1 0.830 0.000 . 2 . . . A 29 LEU HD22 . 17687 1 332 . 1 1 29 29 LEU HD23 H 1 0.830 0.000 . 2 . . . A 29 LEU HD23 . 17687 1 333 . 1 1 29 29 LEU CA C 13 54.663 0.000 . 1 . . . A 29 LEU CA . 17687 1 334 . 1 1 29 29 LEU CB C 13 42.284 0.000 . 1 . . . A 29 LEU CB . 17687 1 335 . 1 1 29 29 LEU CG C 13 26.412 0.000 . 1 . . . A 29 LEU CG . 17687 1 336 . 1 1 29 29 LEU CD1 C 13 22.257 0.000 . 2 . . . A 29 LEU CD1 . 17687 1 337 . 1 1 29 29 LEU CD2 C 13 26.412 0.000 . 2 . . . A 29 LEU CD2 . 17687 1 338 . 1 1 29 29 LEU N N 15 116.310 0.000 . 1 . . . A 29 LEU N . 17687 1 339 . 1 1 30 30 GLY H H 1 7.915 0.000 . 1 . . . A 30 GLY H . 17687 1 340 . 1 1 30 30 GLY HA2 H 1 4.147 0.000 . 2 . . . A 30 GLY HA2 . 17687 1 341 . 1 1 30 30 GLY HA3 H 1 3.751 0.000 . 2 . . . A 30 GLY HA3 . 17687 1 342 . 1 1 30 30 GLY CA C 13 45.089 0.000 . 1 . . . A 30 GLY CA . 17687 1 343 . 1 1 30 30 GLY N N 15 106.741 0.000 . 1 . . . A 30 GLY N . 17687 1 344 . 1 1 31 31 GLY H H 1 8.157 0.000 . 1 . . . A 31 GLY H . 17687 1 345 . 1 1 31 31 GLY HA2 H 1 4.619 0.000 . 2 . . . A 31 GLY HA2 . 17687 1 346 . 1 1 31 31 GLY HA3 H 1 3.074 0.000 . 2 . . . A 31 GLY HA3 . 17687 1 347 . 1 1 31 31 GLY CA C 13 44.557 0.000 . 1 . . . A 31 GLY CA . 17687 1 348 . 1 1 31 31 GLY N N 15 108.320 0.000 . 1 . . . A 31 GLY N . 17687 1 349 . 1 1 32 32 LYS H H 1 7.726 0.000 . 1 . . . A 32 LYS H . 17687 1 350 . 1 1 32 32 LYS HA H 1 4.729 0.000 . 1 . . . A 32 LYS HA . 17687 1 351 . 1 1 32 32 LYS HB2 H 1 1.861 0.000 . 2 . . . A 32 LYS HB2 . 17687 1 352 . 1 1 32 32 LYS HB3 H 1 1.610 0.000 . 2 . . . A 32 LYS HB3 . 17687 1 353 . 1 1 32 32 LYS HG2 H 1 1.492 0.000 . 2 . . . A 32 LYS HG2 . 17687 1 354 . 1 1 32 32 LYS HG3 H 1 1.492 0.000 . 2 . . . A 32 LYS HG3 . 17687 1 355 . 1 1 32 32 LYS HD2 H 1 1.767 0.000 . 2 . . . A 32 LYS HD2 . 17687 1 356 . 1 1 32 32 LYS HD3 H 1 1.767 0.000 . 2 . . . A 32 LYS HD3 . 17687 1 357 . 1 1 32 32 LYS HE2 H 1 3.009 0.000 . 2 . . . A 32 LYS HE2 . 17687 1 358 . 1 1 32 32 LYS HE3 H 1 3.009 0.000 . 2 . . . A 32 LYS HE3 . 17687 1 359 . 1 1 32 32 LYS CA C 13 54.237 0.000 . 1 . . . A 32 LYS CA . 17687 1 360 . 1 1 32 32 LYS CB C 13 36.911 0.000 . 1 . . . A 32 LYS CB . 17687 1 361 . 1 1 32 32 LYS CG C 13 24.889 0.000 . 1 . . . A 32 LYS CG . 17687 1 362 . 1 1 32 32 LYS CD C 13 28.992 0.000 . 1 . . . A 32 LYS CD . 17687 1 363 . 1 1 32 32 LYS CE C 13 42.270 0.000 . 1 . . . A 32 LYS CE . 17687 1 364 . 1 1 32 32 LYS N N 15 115.754 0.000 . 1 . . . A 32 LYS N . 17687 1 365 . 1 1 33 33 LEU H H 1 9.263 0.000 . 1 . . . A 33 LEU H . 17687 1 366 . 1 1 33 33 LEU HA H 1 5.218 0.000 . 1 . . . A 33 LEU HA . 17687 1 367 . 1 1 33 33 LEU HB2 H 1 1.634 0.000 . 2 . . . A 33 LEU HB2 . 17687 1 368 . 1 1 33 33 LEU HB3 H 1 1.634 0.000 . 2 . . . A 33 LEU HB3 . 17687 1 369 . 1 1 33 33 LEU HG H 1 1.659 0.000 . 1 . . . A 33 LEU HG . 17687 1 370 . 1 1 33 33 LEU HD11 H 1 0.942 0.000 . 2 . . . A 33 LEU HD11 . 17687 1 371 . 1 1 33 33 LEU HD12 H 1 0.942 0.000 . 2 . . . A 33 LEU HD12 . 17687 1 372 . 1 1 33 33 LEU HD13 H 1 0.942 0.000 . 2 . . . A 33 LEU HD13 . 17687 1 373 . 1 1 33 33 LEU HD21 H 1 0.942 0.000 . 2 . . . A 33 LEU HD21 . 17687 1 374 . 1 1 33 33 LEU HD22 H 1 0.942 0.000 . 2 . . . A 33 LEU HD22 . 17687 1 375 . 1 1 33 33 LEU HD23 H 1 0.942 0.000 . 2 . . . A 33 LEU HD23 . 17687 1 376 . 1 1 33 33 LEU CA C 13 54.665 0.000 . 1 . . . A 33 LEU CA . 17687 1 377 . 1 1 33 33 LEU CB C 13 43.399 0.000 . 1 . . . A 33 LEU CB . 17687 1 378 . 1 1 33 33 LEU CG C 13 28.275 0.000 . 1 . . . A 33 LEU CG . 17687 1 379 . 1 1 33 33 LEU CD1 C 13 25.173 0.000 . 2 . . . A 33 LEU CD1 . 17687 1 380 . 1 1 33 33 LEU CD2 C 13 25.173 0.000 . 2 . . . A 33 LEU CD2 . 17687 1 381 . 1 1 33 33 LEU N N 15 124.590 0.000 . 1 . . . A 33 LEU N . 17687 1 382 . 1 1 34 34 THR H H 1 8.349 0.000 . 1 . . . A 34 THR H . 17687 1 383 . 1 1 34 34 THR CA C 13 59.949 0.000 . 1 . . . A 34 THR CA . 17687 1 384 . 1 1 34 34 THR CB C 13 69.954 0.000 . 1 . . . A 34 THR CB . 17687 1 385 . 1 1 34 34 THR N N 15 116.876 0.000 . 1 . . . A 34 THR N . 17687 1 386 . 1 1 37 37 ALA HA H 1 3.805 0.000 . 1 . . . A 37 ALA HA . 17687 1 387 . 1 1 37 37 ALA HB1 H 1 1.258 0.000 . 1 . . . A 37 ALA HB1 . 17687 1 388 . 1 1 37 37 ALA HB2 H 1 1.258 0.000 . 1 . . . A 37 ALA HB2 . 17687 1 389 . 1 1 37 37 ALA HB3 H 1 1.258 0.000 . 1 . . . A 37 ALA HB3 . 17687 1 390 . 1 1 37 37 ALA CA C 13 55.467 0.000 . 1 . . . A 37 ALA CA . 17687 1 391 . 1 1 37 37 ALA CB C 13 18.686 0.000 . 1 . . . A 37 ALA CB . 17687 1 392 . 1 1 38 38 ASN H H 1 8.085 0.000 . 1 . . . A 38 ASN H . 17687 1 393 . 1 1 38 38 ASN HA H 1 4.332 0.000 . 1 . . . A 38 ASN HA . 17687 1 394 . 1 1 38 38 ASN HB2 H 1 2.801 0.000 . 2 . . . A 38 ASN HB2 . 17687 1 395 . 1 1 38 38 ASN HB3 H 1 2.801 0.000 . 2 . . . A 38 ASN HB3 . 17687 1 396 . 1 1 38 38 ASN HD21 H 1 6.906 0.000 . 2 . . . A 38 ASN HD21 . 17687 1 397 . 1 1 38 38 ASN HD22 H 1 7.631 0.000 . 2 . . . A 38 ASN HD22 . 17687 1 398 . 1 1 38 38 ASN CA C 13 54.810 0.000 . 1 . . . A 38 ASN CA . 17687 1 399 . 1 1 38 38 ASN CB C 13 37.667 0.000 . 1 . . . A 38 ASN CB . 17687 1 400 . 1 1 38 38 ASN N N 15 110.363 0.000 . 1 . . . A 38 ASN N . 17687 1 401 . 1 1 38 38 ASN ND2 N 15 111.140 0.000 . 1 . . . A 38 ASN ND2 . 17687 1 402 . 1 1 39 39 LYS H H 1 7.290 0.000 . 1 . . . A 39 LYS H . 17687 1 403 . 1 1 39 39 LYS HA H 1 4.441 0.000 . 1 . . . A 39 LYS HA . 17687 1 404 . 1 1 39 39 LYS HB2 H 1 1.873 0.000 . 2 . . . A 39 LYS HB2 . 17687 1 405 . 1 1 39 39 LYS HB3 H 1 1.873 0.000 . 2 . . . A 39 LYS HB3 . 17687 1 406 . 1 1 39 39 LYS HG2 H 1 1.395 0.000 . 2 . . . A 39 LYS HG2 . 17687 1 407 . 1 1 39 39 LYS HG3 H 1 1.395 0.000 . 2 . . . A 39 LYS HG3 . 17687 1 408 . 1 1 39 39 LYS HD2 H 1 1.645 0.000 . 2 . . . A 39 LYS HD2 . 17687 1 409 . 1 1 39 39 LYS HD3 H 1 1.645 0.000 . 2 . . . A 39 LYS HD3 . 17687 1 410 . 1 1 39 39 LYS HE2 H 1 2.958 0.000 . 2 . . . A 39 LYS HE2 . 17687 1 411 . 1 1 39 39 LYS HE3 H 1 2.958 0.000 . 2 . . . A 39 LYS HE3 . 17687 1 412 . 1 1 39 39 LYS CA C 13 55.047 0.000 . 1 . . . A 39 LYS CA . 17687 1 413 . 1 1 39 39 LYS CB C 13 33.850 0.000 . 1 . . . A 39 LYS CB . 17687 1 414 . 1 1 39 39 LYS CG C 13 24.715 0.000 . 1 . . . A 39 LYS CG . 17687 1 415 . 1 1 39 39 LYS CD C 13 28.849 0.000 . 1 . . . A 39 LYS CD . 17687 1 416 . 1 1 39 39 LYS CE C 13 42.310 0.000 . 1 . . . A 39 LYS CE . 17687 1 417 . 1 1 39 39 LYS N N 15 116.503 0.000 . 1 . . . A 39 LYS N . 17687 1 418 . 1 1 40 40 ALA H H 1 7.142 0.000 . 1 . . . A 40 ALA H . 17687 1 419 . 1 1 40 40 ALA HA H 1 4.095 0.000 . 1 . . . A 40 ALA HA . 17687 1 420 . 1 1 40 40 ALA HB1 H 1 1.385 0.000 . 1 . . . A 40 ALA HB1 . 17687 1 421 . 1 1 40 40 ALA HB2 H 1 1.385 0.000 . 1 . . . A 40 ALA HB2 . 17687 1 422 . 1 1 40 40 ALA HB3 H 1 1.385 0.000 . 1 . . . A 40 ALA HB3 . 17687 1 423 . 1 1 40 40 ALA CA C 13 52.680 0.000 . 1 . . . A 40 ALA CA . 17687 1 424 . 1 1 40 40 ALA CB C 13 20.334 0.000 . 1 . . . A 40 ALA CB . 17687 1 425 . 1 1 40 40 ALA N N 15 121.209 0.000 . 1 . . . A 40 ALA N . 17687 1 426 . 1 1 41 41 SER H H 1 9.823 0.000 . 1 . . . A 41 SER H . 17687 1 427 . 1 1 41 41 SER CA C 13 59.288 0.000 . 1 . . . A 41 SER CA . 17687 1 428 . 1 1 41 41 SER CB C 13 63.927 0.000 . 1 . . . A 41 SER CB . 17687 1 429 . 1 1 41 41 SER N N 15 115.427 0.000 . 1 . . . A 41 SER N . 17687 1 430 . 1 1 42 42 LEU HA H 1 4.428 0.000 . 1 . . . A 42 LEU HA . 17687 1 431 . 1 1 42 42 LEU HB2 H 1 1.347 0.000 . 2 . . . A 42 LEU HB2 . 17687 1 432 . 1 1 42 42 LEU HB3 H 1 1.347 0.000 . 2 . . . A 42 LEU HB3 . 17687 1 433 . 1 1 42 42 LEU HG H 1 1.363 0.000 . 1 . . . A 42 LEU HG . 17687 1 434 . 1 1 42 42 LEU HD11 H 1 0.615 0.000 . 2 . . . A 42 LEU HD11 . 17687 1 435 . 1 1 42 42 LEU HD12 H 1 0.615 0.000 . 2 . . . A 42 LEU HD12 . 17687 1 436 . 1 1 42 42 LEU HD13 H 1 0.615 0.000 . 2 . . . A 42 LEU HD13 . 17687 1 437 . 1 1 42 42 LEU HD21 H 1 0.419 0.000 . 2 . . . A 42 LEU HD21 . 17687 1 438 . 1 1 42 42 LEU HD22 H 1 0.419 0.000 . 2 . . . A 42 LEU HD22 . 17687 1 439 . 1 1 42 42 LEU HD23 H 1 0.419 0.000 . 2 . . . A 42 LEU HD23 . 17687 1 440 . 1 1 42 42 LEU CA C 13 54.362 0.000 . 1 . . . A 42 LEU CA . 17687 1 441 . 1 1 42 42 LEU CB C 13 46.992 0.000 . 1 . . . A 42 LEU CB . 17687 1 442 . 1 1 42 42 LEU CG C 13 26.272 0.000 . 1 . . . A 42 LEU CG . 17687 1 443 . 1 1 42 42 LEU CD1 C 13 24.307 0.000 . 2 . . . A 42 LEU CD1 . 17687 1 444 . 1 1 42 42 LEU CD2 C 13 26.000 0.000 . 2 . . . A 42 LEU CD2 . 17687 1 445 . 1 1 43 43 CYS H H 1 8.806 0.000 . 1 . . . A 43 CYS H . 17687 1 446 . 1 1 43 43 CYS HA H 1 5.777 0.000 . 1 . . . A 43 CYS HA . 17687 1 447 . 1 1 43 43 CYS HB2 H 1 2.616 0.000 . 2 . . . A 43 CYS HB2 . 17687 1 448 . 1 1 43 43 CYS HB3 H 1 2.616 0.000 . 2 . . . A 43 CYS HB3 . 17687 1 449 . 1 1 43 43 CYS CA C 13 54.967 0.000 . 1 . . . A 43 CYS CA . 17687 1 450 . 1 1 43 43 CYS CB C 13 29.002 0.000 . 1 . . . A 43 CYS CB . 17687 1 451 . 1 1 43 43 CYS N N 15 124.523 0.000 . 1 . . . A 43 CYS N . 17687 1 452 . 1 1 44 44 ILE H H 1 9.000 0.000 . 1 . . . A 44 ILE H . 17687 1 453 . 1 1 44 44 ILE HA H 1 4.845 0.000 . 1 . . . A 44 ILE HA . 17687 1 454 . 1 1 44 44 ILE HB H 1 1.691 0.000 . 1 . . . A 44 ILE HB . 17687 1 455 . 1 1 44 44 ILE HG12 H 1 1.301 0.000 . 2 . . . A 44 ILE HG12 . 17687 1 456 . 1 1 44 44 ILE HG13 H 1 1.030 0.000 . 2 . . . A 44 ILE HG13 . 17687 1 457 . 1 1 44 44 ILE HG21 H 1 0.859 0.000 . 1 . . . A 44 ILE HG21 . 17687 1 458 . 1 1 44 44 ILE HG22 H 1 0.859 0.000 . 1 . . . A 44 ILE HG22 . 17687 1 459 . 1 1 44 44 ILE HG23 H 1 0.859 0.000 . 1 . . . A 44 ILE HG23 . 17687 1 460 . 1 1 44 44 ILE HD11 H 1 0.707 0.000 . 1 . . . A 44 ILE HD11 . 17687 1 461 . 1 1 44 44 ILE HD12 H 1 0.707 0.000 . 1 . . . A 44 ILE HD12 . 17687 1 462 . 1 1 44 44 ILE HD13 H 1 0.707 0.000 . 1 . . . A 44 ILE HD13 . 17687 1 463 . 1 1 44 44 ILE CA C 13 59.087 0.000 . 1 . . . A 44 ILE CA . 17687 1 464 . 1 1 44 44 ILE CB C 13 38.235 0.000 . 1 . . . A 44 ILE CB . 17687 1 465 . 1 1 44 44 ILE CG1 C 13 27.050 0.000 . 1 . . . A 44 ILE CG1 . 17687 1 466 . 1 1 44 44 ILE CG2 C 13 16.962 0.000 . 1 . . . A 44 ILE CG2 . 17687 1 467 . 1 1 44 44 ILE CD1 C 13 12.758 0.000 . 1 . . . A 44 ILE CD1 . 17687 1 468 . 1 1 44 44 ILE N N 15 129.274 0.000 . 1 . . . A 44 ILE N . 17687 1 469 . 1 1 45 45 SER H H 1 8.380 0.000 . 1 . . . A 45 SER H . 17687 1 470 . 1 1 45 45 SER HA H 1 4.855 0.000 . 1 . . . A 45 SER HA . 17687 1 471 . 1 1 45 45 SER HB2 H 1 3.259 0.000 . 2 . . . A 45 SER HB2 . 17687 1 472 . 1 1 45 45 SER HB3 H 1 3.884 0.000 . 2 . . . A 45 SER HB3 . 17687 1 473 . 1 1 45 45 SER CA C 13 55.774 0.000 . 1 . . . A 45 SER CA . 17687 1 474 . 1 1 45 45 SER CB C 13 65.326 0.000 . 1 . . . A 45 SER CB . 17687 1 475 . 1 1 45 45 SER N N 15 120.214 0.000 . 1 . . . A 45 SER N . 17687 1 476 . 1 1 46 46 THR H H 1 8.782 0.000 . 1 . . . A 46 THR H . 17687 1 477 . 1 1 46 46 THR HA H 1 4.871 0.000 . 1 . . . A 46 THR HA . 17687 1 478 . 1 1 46 46 THR HB H 1 4.682 0.000 . 1 . . . A 46 THR HB . 17687 1 479 . 1 1 46 46 THR HG21 H 1 1.305 0.000 . 1 . . . A 46 THR HG21 . 17687 1 480 . 1 1 46 46 THR HG22 H 1 1.305 0.000 . 1 . . . A 46 THR HG22 . 17687 1 481 . 1 1 46 46 THR HG23 H 1 1.305 0.000 . 1 . . . A 46 THR HG23 . 17687 1 482 . 1 1 46 46 THR CA C 13 58.416 0.000 . 1 . . . A 46 THR CA . 17687 1 483 . 1 1 46 46 THR CB C 13 72.604 0.000 . 1 . . . A 46 THR CB . 17687 1 484 . 1 1 46 46 THR CG2 C 13 21.934 0.000 . 1 . . . A 46 THR CG2 . 17687 1 485 . 1 1 46 46 THR N N 15 107.947 0.000 . 1 . . . A 46 THR N . 17687 1 486 . 1 1 47 47 LYS H H 1 9.072 0.000 . 1 . . . A 47 LYS H . 17687 1 487 . 1 1 47 47 LYS HA H 1 3.872 0.000 . 1 . . . A 47 LYS HA . 17687 1 488 . 1 1 47 47 LYS HB2 H 1 1.891 0.000 . 2 . . . A 47 LYS HB2 . 17687 1 489 . 1 1 47 47 LYS HB3 H 1 1.891 0.000 . 2 . . . A 47 LYS HB3 . 17687 1 490 . 1 1 47 47 LYS HG2 H 1 1.523 0.000 . 2 . . . A 47 LYS HG2 . 17687 1 491 . 1 1 47 47 LYS HG3 H 1 1.523 0.000 . 2 . . . A 47 LYS HG3 . 17687 1 492 . 1 1 47 47 LYS HD2 H 1 1.737 0.000 . 2 . . . A 47 LYS HD2 . 17687 1 493 . 1 1 47 47 LYS HD3 H 1 1.737 0.000 . 2 . . . A 47 LYS HD3 . 17687 1 494 . 1 1 47 47 LYS HE2 H 1 3.016 0.000 . 2 . . . A 47 LYS HE2 . 17687 1 495 . 1 1 47 47 LYS HE3 H 1 3.016 0.000 . 2 . . . A 47 LYS HE3 . 17687 1 496 . 1 1 47 47 LYS CA C 13 60.114 0.000 . 1 . . . A 47 LYS CA . 17687 1 497 . 1 1 47 47 LYS CB C 13 32.549 0.000 . 1 . . . A 47 LYS CB . 17687 1 498 . 1 1 47 47 LYS CG C 13 25.084 0.000 . 1 . . . A 47 LYS CG . 17687 1 499 . 1 1 47 47 LYS CD C 13 29.568 0.000 . 1 . . . A 47 LYS CD . 17687 1 500 . 1 1 47 47 LYS CE C 13 42.062 0.000 . 1 . . . A 47 LYS CE . 17687 1 501 . 1 1 47 47 LYS N N 15 123.040 0.000 . 1 . . . A 47 LYS N . 17687 1 502 . 1 1 48 48 LYS H H 1 8.242 0.000 . 1 . . . A 48 LYS H . 17687 1 503 . 1 1 48 48 LYS HA H 1 4.110 0.000 . 1 . . . A 48 LYS HA . 17687 1 504 . 1 1 48 48 LYS HB2 H 1 1.848 0.000 . 2 . . . A 48 LYS HB2 . 17687 1 505 . 1 1 48 48 LYS HB3 H 1 1.848 0.000 . 2 . . . A 48 LYS HB3 . 17687 1 506 . 1 1 48 48 LYS HG2 H 1 1.501 0.000 . 2 . . . A 48 LYS HG2 . 17687 1 507 . 1 1 48 48 LYS HG3 H 1 1.501 0.000 . 2 . . . A 48 LYS HG3 . 17687 1 508 . 1 1 48 48 LYS HD2 H 1 1.747 0.000 . 2 . . . A 48 LYS HD2 . 17687 1 509 . 1 1 48 48 LYS HD3 H 1 1.747 0.000 . 2 . . . A 48 LYS HD3 . 17687 1 510 . 1 1 48 48 LYS HE2 H 1 3.014 0.000 . 2 . . . A 48 LYS HE2 . 17687 1 511 . 1 1 48 48 LYS HE3 H 1 3.014 0.000 . 2 . . . A 48 LYS HE3 . 17687 1 512 . 1 1 48 48 LYS CA C 13 59.090 0.000 . 1 . . . A 48 LYS CA . 17687 1 513 . 1 1 48 48 LYS CB C 13 32.258 0.000 . 1 . . . A 48 LYS CB . 17687 1 514 . 1 1 48 48 LYS CG C 13 24.912 0.000 . 1 . . . A 48 LYS CG . 17687 1 515 . 1 1 48 48 LYS CD C 13 28.958 0.000 . 1 . . . A 48 LYS CD . 17687 1 516 . 1 1 48 48 LYS CE C 13 42.082 0.000 . 1 . . . A 48 LYS CE . 17687 1 517 . 1 1 48 48 LYS N N 15 117.066 0.000 . 1 . . . A 48 LYS N . 17687 1 518 . 1 1 49 49 GLU H H 1 7.600 0.000 . 1 . . . A 49 GLU H . 17687 1 519 . 1 1 49 49 GLU HA H 1 4.095 0.000 . 1 . . . A 49 GLU HA . 17687 1 520 . 1 1 49 49 GLU HB2 H 1 2.133 0.000 . 2 . . . A 49 GLU HB2 . 17687 1 521 . 1 1 49 49 GLU HB3 H 1 2.133 0.000 . 2 . . . A 49 GLU HB3 . 17687 1 522 . 1 1 49 49 GLU HG2 H 1 2.187 0.000 . 2 . . . A 49 GLU HG2 . 17687 1 523 . 1 1 49 49 GLU HG3 H 1 2.187 0.000 . 2 . . . A 49 GLU HG3 . 17687 1 524 . 1 1 49 49 GLU CA C 13 58.583 0.000 . 1 . . . A 49 GLU CA . 17687 1 525 . 1 1 49 49 GLU CB C 13 28.776 0.000 . 1 . . . A 49 GLU CB . 17687 1 526 . 1 1 49 49 GLU CG C 13 35.680 0.000 . 1 . . . A 49 GLU CG . 17687 1 527 . 1 1 49 49 GLU N N 15 118.066 0.000 . 1 . . . A 49 GLU N . 17687 1 528 . 1 1 50 50 VAL H H 1 7.990 0.000 . 1 . . . A 50 VAL H . 17687 1 529 . 1 1 50 50 VAL HA H 1 3.823 0.000 . 1 . . . A 50 VAL HA . 17687 1 530 . 1 1 50 50 VAL HB H 1 2.258 0.000 . 1 . . . A 50 VAL HB . 17687 1 531 . 1 1 50 50 VAL HG11 H 1 1.015 0.000 . 2 . . . A 50 VAL HG11 . 17687 1 532 . 1 1 50 50 VAL HG12 H 1 1.015 0.000 . 2 . . . A 50 VAL HG12 . 17687 1 533 . 1 1 50 50 VAL HG13 H 1 1.015 0.000 . 2 . . . A 50 VAL HG13 . 17687 1 534 . 1 1 50 50 VAL HG21 H 1 1.015 0.000 . 2 . . . A 50 VAL HG21 . 17687 1 535 . 1 1 50 50 VAL HG22 H 1 1.015 0.000 . 2 . . . A 50 VAL HG22 . 17687 1 536 . 1 1 50 50 VAL HG23 H 1 1.015 0.000 . 2 . . . A 50 VAL HG23 . 17687 1 537 . 1 1 50 50 VAL CA C 13 67.146 0.000 . 1 . . . A 50 VAL CA . 17687 1 538 . 1 1 50 50 VAL CB C 13 31.623 0.000 . 1 . . . A 50 VAL CB . 17687 1 539 . 1 1 50 50 VAL CG1 C 13 21.414 0.000 . 2 . . . A 50 VAL CG1 . 17687 1 540 . 1 1 50 50 VAL CG2 C 13 23.421 0.000 . 2 . . . A 50 VAL CG2 . 17687 1 541 . 1 1 50 50 VAL N N 15 122.031 0.000 . 1 . . . A 50 VAL N . 17687 1 542 . 1 1 51 51 GLU H H 1 8.089 0.000 . 1 . . . A 51 GLU H . 17687 1 543 . 1 1 51 51 GLU HA H 1 4.030 0.000 . 1 . . . A 51 GLU HA . 17687 1 544 . 1 1 51 51 GLU HB2 H 1 2.092 0.000 . 2 . . . A 51 GLU HB2 . 17687 1 545 . 1 1 51 51 GLU HB3 H 1 2.092 0.000 . 2 . . . A 51 GLU HB3 . 17687 1 546 . 1 1 51 51 GLU HG2 H 1 2.477 0.000 . 2 . . . A 51 GLU HG2 . 17687 1 547 . 1 1 51 51 GLU HG3 H 1 2.477 0.000 . 2 . . . A 51 GLU HG3 . 17687 1 548 . 1 1 51 51 GLU CA C 13 58.917 0.000 . 1 . . . A 51 GLU CA . 17687 1 549 . 1 1 51 51 GLU CB C 13 29.935 0.000 . 1 . . . A 51 GLU CB . 17687 1 550 . 1 1 51 51 GLU CG C 13 36.751 0.000 . 1 . . . A 51 GLU CG . 17687 1 551 . 1 1 51 51 GLU N N 15 117.908 0.000 . 1 . . . A 51 GLU N . 17687 1 552 . 1 1 52 52 LYS H H 1 7.924 0.000 . 1 . . . A 52 LYS H . 17687 1 553 . 1 1 52 52 LYS HA H 1 4.028 0.000 . 1 . . . A 52 LYS HA . 17687 1 554 . 1 1 52 52 LYS HB2 H 1 1.926 0.000 . 2 . . . A 52 LYS HB2 . 17687 1 555 . 1 1 52 52 LYS HB3 H 1 1.926 0.000 . 2 . . . A 52 LYS HB3 . 17687 1 556 . 1 1 52 52 LYS HG2 H 1 1.528 0.000 . 2 . . . A 52 LYS HG2 . 17687 1 557 . 1 1 52 52 LYS HG3 H 1 1.528 0.000 . 2 . . . A 52 LYS HG3 . 17687 1 558 . 1 1 52 52 LYS HD2 H 1 1.702 0.000 . 2 . . . A 52 LYS HD2 . 17687 1 559 . 1 1 52 52 LYS HD3 H 1 1.702 0.000 . 2 . . . A 52 LYS HD3 . 17687 1 560 . 1 1 52 52 LYS HE2 H 1 2.956 0.000 . 2 . . . A 52 LYS HE2 . 17687 1 561 . 1 1 52 52 LYS HE3 H 1 2.956 0.000 . 2 . . . A 52 LYS HE3 . 17687 1 562 . 1 1 52 52 LYS CA C 13 58.162 0.000 . 1 . . . A 52 LYS CA . 17687 1 563 . 1 1 52 52 LYS CB C 13 33.015 0.000 . 1 . . . A 52 LYS CB . 17687 1 564 . 1 1 52 52 LYS CG C 13 24.795 0.000 . 1 . . . A 52 LYS CG . 17687 1 565 . 1 1 52 52 LYS CD C 13 29.346 0.000 . 1 . . . A 52 LYS CD . 17687 1 566 . 1 1 52 52 LYS CE C 13 42.000 0.000 . 1 . . . A 52 LYS CE . 17687 1 567 . 1 1 52 52 LYS N N 15 118.274 0.000 . 1 . . . A 52 LYS N . 17687 1 568 . 1 1 53 53 MET H H 1 7.604 0.000 . 1 . . . A 53 MET H . 17687 1 569 . 1 1 53 53 MET HA H 1 4.199 0.000 . 1 . . . A 53 MET HA . 17687 1 570 . 1 1 53 53 MET HB2 H 1 1.962 0.000 . 2 . . . A 53 MET HB2 . 17687 1 571 . 1 1 53 53 MET HB3 H 1 2.275 0.000 . 2 . . . A 53 MET HB3 . 17687 1 572 . 1 1 53 53 MET HG2 H 1 2.776 0.000 . 2 . . . A 53 MET HG2 . 17687 1 573 . 1 1 53 53 MET HG3 H 1 2.776 0.000 . 2 . . . A 53 MET HG3 . 17687 1 574 . 1 1 53 53 MET HE1 H 1 1.985 0.000 . 2 . . . A 53 MET HE1 . 17687 1 575 . 1 1 53 53 MET HE2 H 1 1.985 0.000 . 2 . . . A 53 MET HE2 . 17687 1 576 . 1 1 53 53 MET HE3 H 1 1.985 0.000 . 2 . . . A 53 MET HE3 . 17687 1 577 . 1 1 53 53 MET CA C 13 54.711 0.000 . 1 . . . A 53 MET CA . 17687 1 578 . 1 1 53 53 MET CB C 13 28.121 0.000 . 1 . . . A 53 MET CB . 17687 1 579 . 1 1 53 53 MET CG C 13 31.837 0.000 . 1 . . . A 53 MET CG . 17687 1 580 . 1 1 53 53 MET CE C 13 17.335 0.000 . 1 . . . A 53 MET CE . 17687 1 581 . 1 1 53 53 MET N N 15 113.425 0.000 . 1 . . . A 53 MET N . 17687 1 582 . 1 1 54 54 SER H H 1 8.341 0.000 . 1 . . . A 54 SER H . 17687 1 583 . 1 1 54 54 SER HA H 1 4.476 0.000 . 1 . . . A 54 SER HA . 17687 1 584 . 1 1 54 54 SER HB2 H 1 4.080 0.000 . 2 . . . A 54 SER HB2 . 17687 1 585 . 1 1 54 54 SER HB3 H 1 4.080 0.000 . 2 . . . A 54 SER HB3 . 17687 1 586 . 1 1 54 54 SER CA C 13 58.470 0.000 . 1 . . . A 54 SER CA . 17687 1 587 . 1 1 54 54 SER CB C 13 65.298 0.000 . 1 . . . A 54 SER CB . 17687 1 588 . 1 1 54 54 SER N N 15 114.774 0.000 . 1 . . . A 54 SER N . 17687 1 589 . 1 1 55 55 LYS H H 1 8.747 0.000 . 1 . . . A 55 LYS H . 17687 1 590 . 1 1 55 55 LYS HA H 1 4.096 0.000 . 1 . . . A 55 LYS HA . 17687 1 591 . 1 1 55 55 LYS HB2 H 1 1.909 0.000 . 2 . . . A 55 LYS HB2 . 17687 1 592 . 1 1 55 55 LYS HB3 H 1 1.909 0.000 . 2 . . . A 55 LYS HB3 . 17687 1 593 . 1 1 55 55 LYS HG2 H 1 1.549 0.000 . 2 . . . A 55 LYS HG2 . 17687 1 594 . 1 1 55 55 LYS HG3 H 1 1.549 0.000 . 2 . . . A 55 LYS HG3 . 17687 1 595 . 1 1 55 55 LYS HD2 H 1 1.732 0.000 . 2 . . . A 55 LYS HD2 . 17687 1 596 . 1 1 55 55 LYS HD3 H 1 1.732 0.000 . 2 . . . A 55 LYS HD3 . 17687 1 597 . 1 1 55 55 LYS HE2 H 1 3.013 0.000 . 2 . . . A 55 LYS HE2 . 17687 1 598 . 1 1 55 55 LYS HE3 H 1 3.013 0.000 . 2 . . . A 55 LYS HE3 . 17687 1 599 . 1 1 55 55 LYS CA C 13 59.757 0.000 . 1 . . . A 55 LYS CA . 17687 1 600 . 1 1 55 55 LYS CB C 13 32.015 0.000 . 1 . . . A 55 LYS CB . 17687 1 601 . 1 1 55 55 LYS CG C 13 24.827 0.000 . 1 . . . A 55 LYS CG . 17687 1 602 . 1 1 55 55 LYS CD C 13 28.794 0.000 . 1 . . . A 55 LYS CD . 17687 1 603 . 1 1 55 55 LYS CE C 13 42.191 0.000 . 1 . . . A 55 LYS CE . 17687 1 604 . 1 1 55 55 LYS N N 15 120.784 0.000 . 1 . . . A 55 LYS N . 17687 1 605 . 1 1 56 56 LYS H H 1 8.127 0.000 . 1 . . . A 56 LYS H . 17687 1 606 . 1 1 56 56 LYS HA H 1 4.162 0.000 . 1 . . . A 56 LYS HA . 17687 1 607 . 1 1 56 56 LYS HB2 H 1 1.801 0.000 . 2 . . . A 56 LYS HB2 . 17687 1 608 . 1 1 56 56 LYS HB3 H 1 1.801 0.000 . 2 . . . A 56 LYS HB3 . 17687 1 609 . 1 1 56 56 LYS HG2 H 1 1.587 0.000 . 2 . . . A 56 LYS HG2 . 17687 1 610 . 1 1 56 56 LYS HG3 H 1 1.587 0.000 . 2 . . . A 56 LYS HG3 . 17687 1 611 . 1 1 56 56 LYS HD2 H 1 1.764 0.000 . 2 . . . A 56 LYS HD2 . 17687 1 612 . 1 1 56 56 LYS HD3 H 1 1.764 0.000 . 2 . . . A 56 LYS HD3 . 17687 1 613 . 1 1 56 56 LYS HE2 H 1 3.036 0.000 . 2 . . . A 56 LYS HE2 . 17687 1 614 . 1 1 56 56 LYS HE3 H 1 3.036 0.000 . 2 . . . A 56 LYS HE3 . 17687 1 615 . 1 1 56 56 LYS CA C 13 58.739 0.000 . 1 . . . A 56 LYS CA . 17687 1 616 . 1 1 56 56 LYS CB C 13 32.073 0.000 . 1 . . . A 56 LYS CB . 17687 1 617 . 1 1 56 56 LYS CG C 13 25.396 0.000 . 1 . . . A 56 LYS CG . 17687 1 618 . 1 1 56 56 LYS CD C 13 28.564 0.000 . 1 . . . A 56 LYS CD . 17687 1 619 . 1 1 56 56 LYS CE C 13 42.219 0.000 . 1 . . . A 56 LYS CE . 17687 1 620 . 1 1 56 56 LYS N N 15 116.845 0.000 . 1 . . . A 56 LYS N . 17687 1 621 . 1 1 57 57 MET H H 1 7.702 0.000 . 1 . . . A 57 MET H . 17687 1 622 . 1 1 57 57 MET HA H 1 4.572 0.000 . 1 . . . A 57 MET HA . 17687 1 623 . 1 1 57 57 MET HB2 H 1 2.292 0.000 . 2 . . . A 57 MET HB2 . 17687 1 624 . 1 1 57 57 MET HB3 H 1 2.292 0.000 . 2 . . . A 57 MET HB3 . 17687 1 625 . 1 1 57 57 MET HG2 H 1 3.097 0.000 . 2 . . . A 57 MET HG2 . 17687 1 626 . 1 1 57 57 MET HG3 H 1 2.814 0.000 . 2 . . . A 57 MET HG3 . 17687 1 627 . 1 1 57 57 MET HE1 H 1 1.892 0.000 . 2 . . . A 57 MET HE1 . 17687 1 628 . 1 1 57 57 MET HE2 H 1 1.892 0.000 . 2 . . . A 57 MET HE2 . 17687 1 629 . 1 1 57 57 MET HE3 H 1 1.892 0.000 . 2 . . . A 57 MET HE3 . 17687 1 630 . 1 1 57 57 MET CA C 13 55.962 0.000 . 1 . . . A 57 MET CA . 17687 1 631 . 1 1 57 57 MET CB C 13 30.146 0.000 . 1 . . . A 57 MET CB . 17687 1 632 . 1 1 57 57 MET CG C 13 32.903 0.000 . 1 . . . A 57 MET CG . 17687 1 633 . 1 1 57 57 MET CE C 13 15.590 0.000 . 1 . . . A 57 MET CE . 17687 1 634 . 1 1 57 57 MET N N 15 121.484 0.000 . 1 . . . A 57 MET N . 17687 1 635 . 1 1 58 58 GLU H H 1 8.699 0.000 . 1 . . . A 58 GLU H . 17687 1 636 . 1 1 58 58 GLU HA H 1 3.728 0.000 . 1 . . . A 58 GLU HA . 17687 1 637 . 1 1 58 58 GLU HB2 H 1 1.987 0.000 . 2 . . . A 58 GLU HB2 . 17687 1 638 . 1 1 58 58 GLU HB3 H 1 2.184 0.000 . 2 . . . A 58 GLU HB3 . 17687 1 639 . 1 1 58 58 GLU HG2 H 1 2.308 0.000 . 2 . . . A 58 GLU HG2 . 17687 1 640 . 1 1 58 58 GLU HG3 H 1 2.034 0.000 . 2 . . . A 58 GLU HG3 . 17687 1 641 . 1 1 58 58 GLU CA C 13 59.851 0.000 . 1 . . . A 58 GLU CA . 17687 1 642 . 1 1 58 58 GLU CB C 13 29.129 0.000 . 1 . . . A 58 GLU CB . 17687 1 643 . 1 1 58 58 GLU CG C 13 36.591 0.000 . 1 . . . A 58 GLU CG . 17687 1 644 . 1 1 58 58 GLU N N 15 120.744 0.000 . 1 . . . A 58 GLU N . 17687 1 645 . 1 1 59 59 GLU H H 1 7.632 0.000 . 1 . . . A 59 GLU H . 17687 1 646 . 1 1 59 59 GLU HA H 1 3.937 0.000 . 1 . . . A 59 GLU HA . 17687 1 647 . 1 1 59 59 GLU HB2 H 1 1.946 0.000 . 2 . . . A 59 GLU HB2 . 17687 1 648 . 1 1 59 59 GLU HB3 H 1 2.329 0.000 . 2 . . . A 59 GLU HB3 . 17687 1 649 . 1 1 59 59 GLU HG2 H 1 2.154 0.000 . 2 . . . A 59 GLU HG2 . 17687 1 650 . 1 1 59 59 GLU HG3 H 1 2.618 0.000 . 2 . . . A 59 GLU HG3 . 17687 1 651 . 1 1 59 59 GLU CA C 13 59.450 0.000 . 1 . . . A 59 GLU CA . 17687 1 652 . 1 1 59 59 GLU CB C 13 29.677 0.000 . 1 . . . A 59 GLU CB . 17687 1 653 . 1 1 59 59 GLU CG C 13 36.573 0.000 . 1 . . . A 59 GLU CG . 17687 1 654 . 1 1 59 59 GLU N N 15 119.842 0.000 . 1 . . . A 59 GLU N . 17687 1 655 . 1 1 60 60 VAL H H 1 7.399 0.000 . 1 . . . A 60 VAL H . 17687 1 656 . 1 1 60 60 VAL HA H 1 3.325 0.000 . 1 . . . A 60 VAL HA . 17687 1 657 . 1 1 60 60 VAL HB H 1 2.649 0.000 . 1 . . . A 60 VAL HB . 17687 1 658 . 1 1 60 60 VAL HG11 H 1 1.160 0.000 . 2 . . . A 60 VAL HG11 . 17687 1 659 . 1 1 60 60 VAL HG12 H 1 1.160 0.000 . 2 . . . A 60 VAL HG12 . 17687 1 660 . 1 1 60 60 VAL HG13 H 1 1.160 0.000 . 2 . . . A 60 VAL HG13 . 17687 1 661 . 1 1 60 60 VAL HG21 H 1 1.160 0.000 . 2 . . . A 60 VAL HG21 . 17687 1 662 . 1 1 60 60 VAL HG22 H 1 1.160 0.000 . 2 . . . A 60 VAL HG22 . 17687 1 663 . 1 1 60 60 VAL HG23 H 1 1.160 0.000 . 2 . . . A 60 VAL HG23 . 17687 1 664 . 1 1 60 60 VAL CA C 13 67.415 0.000 . 1 . . . A 60 VAL CA . 17687 1 665 . 1 1 60 60 VAL CB C 13 31.850 0.000 . 1 . . . A 60 VAL CB . 17687 1 666 . 1 1 60 60 VAL CG1 C 13 23.187 0.000 . 2 . . . A 60 VAL CG1 . 17687 1 667 . 1 1 60 60 VAL CG2 C 13 24.738 0.000 . 2 . . . A 60 VAL CG2 . 17687 1 668 . 1 1 60 60 VAL N N 15 122.976 0.000 . 1 . . . A 60 VAL N . 17687 1 669 . 1 1 61 61 LYS H H 1 7.827 0.000 . 1 . . . A 61 LYS H . 17687 1 670 . 1 1 61 61 LYS HA H 1 2.152 0.000 . 1 . . . A 61 LYS HA . 17687 1 671 . 1 1 61 61 LYS HB2 H 1 1.171 0.000 . 2 . . . A 61 LYS HB2 . 17687 1 672 . 1 1 61 61 LYS HB3 H 1 -0.155 0.000 . 2 . . . A 61 LYS HB3 . 17687 1 673 . 1 1 61 61 LYS HE2 H 1 2.781 0.000 . 2 . . . A 61 LYS HE2 . 17687 1 674 . 1 1 61 61 LYS HE3 H 1 2.781 0.000 . 2 . . . A 61 LYS HE3 . 17687 1 675 . 1 1 61 61 LYS CA C 13 58.969 0.000 . 1 . . . A 61 LYS CA . 17687 1 676 . 1 1 61 61 LYS CB C 13 31.715 0.000 . 1 . . . A 61 LYS CB . 17687 1 677 . 1 1 61 61 LYS CG C 13 24.370 0.000 . 1 . . . A 61 LYS CG . 17687 1 678 . 1 1 61 61 LYS CD C 13 29.817 0.000 . 1 . . . A 61 LYS CD . 17687 1 679 . 1 1 61 61 LYS CE C 13 42.122 0.000 . 1 . . . A 61 LYS CE . 17687 1 680 . 1 1 61 61 LYS N N 15 120.637 0.000 . 1 . . . A 61 LYS N . 17687 1 681 . 1 1 62 62 ALA H H 1 8.253 0.000 . 1 . . . A 62 ALA H . 17687 1 682 . 1 1 62 62 ALA HA H 1 3.902 0.000 . 1 . . . A 62 ALA HA . 17687 1 683 . 1 1 62 62 ALA HB1 H 1 1.361 0.000 . 1 . . . A 62 ALA HB1 . 17687 1 684 . 1 1 62 62 ALA HB2 H 1 1.361 0.000 . 1 . . . A 62 ALA HB2 . 17687 1 685 . 1 1 62 62 ALA HB3 H 1 1.361 0.000 . 1 . . . A 62 ALA HB3 . 17687 1 686 . 1 1 62 62 ALA CA C 13 54.673 0.000 . 1 . . . A 62 ALA CA . 17687 1 687 . 1 1 62 62 ALA CB C 13 17.869 0.000 . 1 . . . A 62 ALA CB . 17687 1 688 . 1 1 62 62 ALA N N 15 122.726 0.000 . 1 . . . A 62 ALA N . 17687 1 689 . 1 1 63 63 ALA H H 1 7.314 0.000 . 1 . . . A 63 ALA H . 17687 1 690 . 1 1 63 63 ALA HA H 1 4.282 0.000 . 1 . . . A 63 ALA HA . 17687 1 691 . 1 1 63 63 ALA HB1 H 1 1.353 0.000 . 1 . . . A 63 ALA HB1 . 17687 1 692 . 1 1 63 63 ALA HB2 H 1 1.353 0.000 . 1 . . . A 63 ALA HB2 . 17687 1 693 . 1 1 63 63 ALA HB3 H 1 1.353 0.000 . 1 . . . A 63 ALA HB3 . 17687 1 694 . 1 1 63 63 ALA CA C 13 51.941 0.000 . 1 . . . A 63 ALA CA . 17687 1 695 . 1 1 63 63 ALA CB C 13 18.997 0.000 . 1 . . . A 63 ALA CB . 17687 1 696 . 1 1 63 63 ALA N N 15 118.286 0.000 . 1 . . . A 63 ALA N . 17687 1 697 . 1 1 64 64 ASN H H 1 8.144 0.000 . 1 . . . A 64 ASN H . 17687 1 698 . 1 1 64 64 ASN HA H 1 4.284 0.000 . 1 . . . A 64 ASN HA . 17687 1 699 . 1 1 64 64 ASN HB2 H 1 3.399 0.000 . 2 . . . A 64 ASN HB2 . 17687 1 700 . 1 1 64 64 ASN HB3 H 1 2.465 0.000 . 2 . . . A 64 ASN HB3 . 17687 1 701 . 1 1 64 64 ASN HD21 H 1 7.630 0.000 . 2 . . . A 64 ASN HD21 . 17687 1 702 . 1 1 64 64 ASN HD22 H 1 6.920 0.000 . 2 . . . A 64 ASN HD22 . 17687 1 703 . 1 1 64 64 ASN CA C 13 53.732 0.000 . 1 . . . A 64 ASN CA . 17687 1 704 . 1 1 64 64 ASN CB C 13 37.822 0.000 . 1 . . . A 64 ASN CB . 17687 1 705 . 1 1 64 64 ASN N N 15 118.240 0.000 . 1 . . . A 64 ASN N . 17687 1 706 . 1 1 64 64 ASN ND2 N 15 110.672 0.000 . 1 . . . A 64 ASN ND2 . 17687 1 707 . 1 1 65 65 VAL H H 1 7.711 0.000 . 1 . . . A 65 VAL H . 17687 1 708 . 1 1 65 65 VAL HA H 1 3.998 0.000 . 1 . . . A 65 VAL HA . 17687 1 709 . 1 1 65 65 VAL HB H 1 2.002 0.000 . 1 . . . A 65 VAL HB . 17687 1 710 . 1 1 65 65 VAL HG11 H 1 1.001 0.000 . 2 . . . A 65 VAL HG11 . 17687 1 711 . 1 1 65 65 VAL HG12 H 1 1.001 0.000 . 2 . . . A 65 VAL HG12 . 17687 1 712 . 1 1 65 65 VAL HG13 H 1 1.001 0.000 . 2 . . . A 65 VAL HG13 . 17687 1 713 . 1 1 65 65 VAL HG21 H 1 0.670 0.000 . 2 . . . A 65 VAL HG21 . 17687 1 714 . 1 1 65 65 VAL HG22 H 1 0.670 0.000 . 2 . . . A 65 VAL HG22 . 17687 1 715 . 1 1 65 65 VAL HG23 H 1 0.670 0.000 . 2 . . . A 65 VAL HG23 . 17687 1 716 . 1 1 65 65 VAL CA C 13 62.206 0.000 . 1 . . . A 65 VAL CA . 17687 1 717 . 1 1 65 65 VAL CB C 13 32.776 0.000 . 1 . . . A 65 VAL CB . 17687 1 718 . 1 1 65 65 VAL CG1 C 13 22.441 0.000 . 2 . . . A 65 VAL CG1 . 17687 1 719 . 1 1 65 65 VAL CG2 C 13 21.275 0.000 . 2 . . . A 65 VAL CG2 . 17687 1 720 . 1 1 65 65 VAL N N 15 120.220 0.000 . 1 . . . A 65 VAL N . 17687 1 721 . 1 1 66 66 ARG H H 1 8.851 0.000 . 1 . . . A 66 ARG H . 17687 1 722 . 1 1 66 66 ARG HA H 1 3.612 0.000 . 1 . . . A 66 ARG HA . 17687 1 723 . 1 1 66 66 ARG HB2 H 1 1.672 0.000 . 2 . . . A 66 ARG HB2 . 17687 1 724 . 1 1 66 66 ARG HB3 H 1 1.775 0.000 . 2 . . . A 66 ARG HB3 . 17687 1 725 . 1 1 66 66 ARG HG2 H 1 1.368 0.000 . 2 . . . A 66 ARG HG2 . 17687 1 726 . 1 1 66 66 ARG HG3 H 1 1.513 0.000 . 2 . . . A 66 ARG HG3 . 17687 1 727 . 1 1 66 66 ARG HD2 H 1 2.823 0.000 . 2 . . . A 66 ARG HD2 . 17687 1 728 . 1 1 66 66 ARG HD3 H 1 3.095 0.000 . 2 . . . A 66 ARG HD3 . 17687 1 729 . 1 1 66 66 ARG CA C 13 57.030 0.000 . 1 . . . A 66 ARG CA . 17687 1 730 . 1 1 66 66 ARG CB C 13 31.184 0.000 . 1 . . . A 66 ARG CB . 17687 1 731 . 1 1 66 66 ARG CG C 13 26.699 0.000 . 1 . . . A 66 ARG CG . 17687 1 732 . 1 1 66 66 ARG CD C 13 43.261 0.000 . 1 . . . A 66 ARG CD . 17687 1 733 . 1 1 66 66 ARG N N 15 128.418 0.000 . 1 . . . A 66 ARG N . 17687 1 734 . 1 1 67 67 VAL H H 1 7.787 0.000 . 1 . . . A 67 VAL H . 17687 1 735 . 1 1 67 67 VAL HA H 1 5.062 0.000 . 1 . . . A 67 VAL HA . 17687 1 736 . 1 1 67 67 VAL HB H 1 1.442 0.000 . 1 . . . A 67 VAL HB . 17687 1 737 . 1 1 67 67 VAL HG11 H 1 0.754 0.000 . 2 . . . A 67 VAL HG11 . 17687 1 738 . 1 1 67 67 VAL HG12 H 1 0.754 0.000 . 2 . . . A 67 VAL HG12 . 17687 1 739 . 1 1 67 67 VAL HG13 H 1 0.754 0.000 . 2 . . . A 67 VAL HG13 . 17687 1 740 . 1 1 67 67 VAL HG21 H 1 1.128 0.000 . 2 . . . A 67 VAL HG21 . 17687 1 741 . 1 1 67 67 VAL HG22 H 1 1.128 0.000 . 2 . . . A 67 VAL HG22 . 17687 1 742 . 1 1 67 67 VAL HG23 H 1 1.128 0.000 . 2 . . . A 67 VAL HG23 . 17687 1 743 . 1 1 67 67 VAL CA C 13 59.462 0.000 . 1 . . . A 67 VAL CA . 17687 1 744 . 1 1 67 67 VAL CB C 13 33.349 0.000 . 1 . . . A 67 VAL CB . 17687 1 745 . 1 1 67 67 VAL CG1 C 13 22.937 0.000 . 2 . . . A 67 VAL CG1 . 17687 1 746 . 1 1 67 67 VAL CG2 C 13 22.553 0.000 . 2 . . . A 67 VAL CG2 . 17687 1 747 . 1 1 67 67 VAL N N 15 124.240 0.000 . 1 . . . A 67 VAL N . 17687 1 748 . 1 1 68 68 VAL H H 1 9.103 0.000 . 1 . . . A 68 VAL H . 17687 1 749 . 1 1 68 68 VAL CA C 13 57.814 0.000 . 1 . . . A 68 VAL CA . 17687 1 750 . 1 1 68 68 VAL CB C 13 35.868 0.000 . 1 . . . A 68 VAL CB . 17687 1 751 . 1 1 68 68 VAL N N 15 119.497 0.000 . 1 . . . A 68 VAL N . 17687 1 752 . 1 1 69 69 CYS HA H 1 5.039 0.000 . 1 . . . A 69 CYS HA . 17687 1 753 . 1 1 69 69 CYS HB2 H 1 3.141 0.000 . 2 . . . A 69 CYS HB2 . 17687 1 754 . 1 1 69 69 CYS HB3 H 1 3.603 0.000 . 2 . . . A 69 CYS HB3 . 17687 1 755 . 1 1 69 69 CYS CA C 13 55.986 0.000 . 1 . . . A 69 CYS CA . 17687 1 756 . 1 1 69 69 CYS CB C 13 29.274 0.000 . 1 . . . A 69 CYS CB . 17687 1 757 . 1 1 70 70 GLU H H 1 9.094 0.000 . 1 . . . A 70 GLU H . 17687 1 758 . 1 1 70 70 GLU HA H 1 3.888 0.000 . 1 . . . A 70 GLU HA . 17687 1 759 . 1 1 70 70 GLU HB2 H 1 2.122 0.000 . 2 . . . A 70 GLU HB2 . 17687 1 760 . 1 1 70 70 GLU HB3 H 1 2.122 0.000 . 2 . . . A 70 GLU HB3 . 17687 1 761 . 1 1 70 70 GLU HG2 H 1 2.402 0.000 . 2 . . . A 70 GLU HG2 . 17687 1 762 . 1 1 70 70 GLU HG3 H 1 2.402 0.000 . 2 . . . A 70 GLU HG3 . 17687 1 763 . 1 1 70 70 GLU CA C 13 59.875 0.000 . 1 . . . A 70 GLU CA . 17687 1 764 . 1 1 70 70 GLU CB C 13 30.157 0.000 . 1 . . . A 70 GLU CB . 17687 1 765 . 1 1 70 70 GLU CG C 13 36.472 0.000 . 1 . . . A 70 GLU CG . 17687 1 766 . 1 1 70 70 GLU N N 15 121.928 0.000 . 1 . . . A 70 GLU N . 17687 1 767 . 1 1 71 71 ASP H H 1 8.472 0.000 . 1 . . . A 71 ASP H . 17687 1 768 . 1 1 71 71 ASP HA H 1 4.319 0.000 . 1 . . . A 71 ASP HA . 17687 1 769 . 1 1 71 71 ASP HB2 H 1 2.653 0.000 . 2 . . . A 71 ASP HB2 . 17687 1 770 . 1 1 71 71 ASP HB3 H 1 2.653 0.000 . 2 . . . A 71 ASP HB3 . 17687 1 771 . 1 1 71 71 ASP CA C 13 56.944 0.000 . 1 . . . A 71 ASP CA . 17687 1 772 . 1 1 71 71 ASP CB C 13 40.115 0.000 . 1 . . . A 71 ASP CB . 17687 1 773 . 1 1 71 71 ASP N N 15 121.329 0.000 . 1 . . . A 71 ASP N . 17687 1 774 . 1 1 72 72 PHE H H 1 7.644 0.000 . 1 . . . A 72 PHE H . 17687 1 775 . 1 1 72 72 PHE HA H 1 3.284 0.000 . 1 . . . A 72 PHE HA . 17687 1 776 . 1 1 72 72 PHE HB2 H 1 2.872 0.000 . 2 . . . A 72 PHE HB2 . 17687 1 777 . 1 1 72 72 PHE HB3 H 1 2.982 0.000 . 2 . . . A 72 PHE HB3 . 17687 1 778 . 1 1 72 72 PHE HD2 H 1 6.842 0.000 . 3 . . . A 72 PHE HD2 . 17687 1 779 . 1 1 72 72 PHE HE2 H 1 6.951 0.000 . 3 . . . A 72 PHE HE2 . 17687 1 780 . 1 1 72 72 PHE CA C 13 61.655 0.000 . 1 . . . A 72 PHE CA . 17687 1 781 . 1 1 72 72 PHE CB C 13 40.882 0.000 . 1 . . . A 72 PHE CB . 17687 1 782 . 1 1 72 72 PHE CD2 C 13 131.441 0.000 . 3 . . . A 72 PHE CD2 . 17687 1 783 . 1 1 72 72 PHE CE2 C 13 130.814 0.000 . 3 . . . A 72 PHE CE2 . 17687 1 784 . 1 1 72 72 PHE N N 15 118.714 0.000 . 1 . . . A 72 PHE N . 17687 1 785 . 1 1 73 73 LEU H H 1 7.519 0.000 . 1 . . . A 73 LEU H . 17687 1 786 . 1 1 73 73 LEU HA H 1 3.604 0.000 . 1 . . . A 73 LEU HA . 17687 1 787 . 1 1 73 73 LEU HB2 H 1 1.924 0.000 . 2 . . . A 73 LEU HB2 . 17687 1 788 . 1 1 73 73 LEU HB3 H 1 1.435 0.000 . 2 . . . A 73 LEU HB3 . 17687 1 789 . 1 1 73 73 LEU HG H 1 1.721 0.000 . 1 . . . A 73 LEU HG . 17687 1 790 . 1 1 73 73 LEU HD11 H 1 0.924 0.000 . 2 . . . A 73 LEU HD11 . 17687 1 791 . 1 1 73 73 LEU HD12 H 1 0.924 0.000 . 2 . . . A 73 LEU HD12 . 17687 1 792 . 1 1 73 73 LEU HD13 H 1 0.924 0.000 . 2 . . . A 73 LEU HD13 . 17687 1 793 . 1 1 73 73 LEU HD21 H 1 0.745 0.000 . 2 . . . A 73 LEU HD21 . 17687 1 794 . 1 1 73 73 LEU HD22 H 1 0.745 0.000 . 2 . . . A 73 LEU HD22 . 17687 1 795 . 1 1 73 73 LEU HD23 H 1 0.745 0.000 . 2 . . . A 73 LEU HD23 . 17687 1 796 . 1 1 73 73 LEU CA C 13 57.188 0.000 . 1 . . . A 73 LEU CA . 17687 1 797 . 1 1 73 73 LEU CB C 13 41.587 0.000 . 1 . . . A 73 LEU CB . 17687 1 798 . 1 1 73 73 LEU CG C 13 27.339 0.000 . 1 . . . A 73 LEU CG . 17687 1 799 . 1 1 73 73 LEU CD1 C 13 24.925 0.000 . 2 . . . A 73 LEU CD1 . 17687 1 800 . 1 1 73 73 LEU CD2 C 13 23.010 0.000 . 2 . . . A 73 LEU CD2 . 17687 1 801 . 1 1 73 73 LEU N N 15 115.157 0.000 . 1 . . . A 73 LEU N . 17687 1 802 . 1 1 74 74 GLN H H 1 7.168 0.000 . 1 . . . A 74 GLN H . 17687 1 803 . 1 1 74 74 GLN HA H 1 3.937 0.000 . 1 . . . A 74 GLN HA . 17687 1 804 . 1 1 74 74 GLN HB2 H 1 2.074 0.000 . 2 . . . A 74 GLN HB2 . 17687 1 805 . 1 1 74 74 GLN HB3 H 1 2.074 0.000 . 2 . . . A 74 GLN HB3 . 17687 1 806 . 1 1 74 74 GLN HG2 H 1 2.375 0.000 . 2 . . . A 74 GLN HG2 . 17687 1 807 . 1 1 74 74 GLN HG3 H 1 2.375 0.000 . 2 . . . A 74 GLN HG3 . 17687 1 808 . 1 1 74 74 GLN HE21 H 1 6.739 0.000 . 2 . . . A 74 GLN HE21 . 17687 1 809 . 1 1 74 74 GLN HE22 H 1 7.501 0.000 . 2 . . . A 74 GLN HE22 . 17687 1 810 . 1 1 74 74 GLN CA C 13 58.053 0.000 . 1 . . . A 74 GLN CA . 17687 1 811 . 1 1 74 74 GLN CB C 13 28.041 0.000 . 1 . . . A 74 GLN CB . 17687 1 812 . 1 1 74 74 GLN CG C 13 33.468 0.000 . 1 . . . A 74 GLN CG . 17687 1 813 . 1 1 74 74 GLN N N 15 116.214 0.000 . 1 . . . A 74 GLN N . 17687 1 814 . 1 1 74 74 GLN NE2 N 15 111.720 0.000 . 1 . . . A 74 GLN NE2 . 17687 1 815 . 1 1 75 75 ASP H H 1 7.574 0.000 . 1 . . . A 75 ASP H . 17687 1 816 . 1 1 75 75 ASP HA H 1 4.518 0.000 . 1 . . . A 75 ASP HA . 17687 1 817 . 1 1 75 75 ASP HB2 H 1 2.556 0.000 . 2 . . . A 75 ASP HB2 . 17687 1 818 . 1 1 75 75 ASP HB3 H 1 2.556 0.000 . 2 . . . A 75 ASP HB3 . 17687 1 819 . 1 1 75 75 ASP CA C 13 56.648 0.000 . 1 . . . A 75 ASP CA . 17687 1 820 . 1 1 75 75 ASP CB C 13 41.227 0.000 . 1 . . . A 75 ASP CB . 17687 1 821 . 1 1 75 75 ASP N N 15 119.987 0.000 . 1 . . . A 75 ASP N . 17687 1 822 . 1 1 76 76 VAL H H 1 8.265 0.000 . 1 . . . A 76 VAL H . 17687 1 823 . 1 1 76 76 VAL HA H 1 3.639 0.000 . 1 . . . A 76 VAL HA . 17687 1 824 . 1 1 76 76 VAL HB H 1 1.307 0.000 . 1 . . . A 76 VAL HB . 17687 1 825 . 1 1 76 76 VAL HG11 H 1 0.614 0.000 . 2 . . . A 76 VAL HG11 . 17687 1 826 . 1 1 76 76 VAL HG12 H 1 0.614 0.000 . 2 . . . A 76 VAL HG12 . 17687 1 827 . 1 1 76 76 VAL HG13 H 1 0.614 0.000 . 2 . . . A 76 VAL HG13 . 17687 1 828 . 1 1 76 76 VAL HG21 H 1 0.614 0.000 . 2 . . . A 76 VAL HG21 . 17687 1 829 . 1 1 76 76 VAL HG22 H 1 0.614 0.000 . 2 . . . A 76 VAL HG22 . 17687 1 830 . 1 1 76 76 VAL HG23 H 1 0.614 0.000 . 2 . . . A 76 VAL HG23 . 17687 1 831 . 1 1 76 76 VAL CA C 13 64.100 0.000 . 1 . . . A 76 VAL CA . 17687 1 832 . 1 1 76 76 VAL CB C 13 30.729 0.000 . 1 . . . A 76 VAL CB . 17687 1 833 . 1 1 76 76 VAL CG1 C 13 22.964 0.000 . 2 . . . A 76 VAL CG1 . 17687 1 834 . 1 1 76 76 VAL CG2 C 13 21.554 0.000 . 2 . . . A 76 VAL CG2 . 17687 1 835 . 1 1 76 76 VAL N N 15 118.839 0.000 . 1 . . . A 76 VAL N . 17687 1 836 . 1 1 77 77 SER H H 1 7.178 0.000 . 1 . . . A 77 SER H . 17687 1 837 . 1 1 77 77 SER HA H 1 4.153 0.000 . 1 . . . A 77 SER HA . 17687 1 838 . 1 1 77 77 SER HB2 H 1 3.927 0.000 . 2 . . . A 77 SER HB2 . 17687 1 839 . 1 1 77 77 SER HB3 H 1 3.927 0.000 . 2 . . . A 77 SER HB3 . 17687 1 840 . 1 1 77 77 SER CA C 13 60.492 0.000 . 1 . . . A 77 SER CA . 17687 1 841 . 1 1 77 77 SER CB C 13 63.654 0.000 . 1 . . . A 77 SER CB . 17687 1 842 . 1 1 77 77 SER N N 15 113.751 0.000 . 1 . . . A 77 SER N . 17687 1 843 . 1 1 78 78 ALA H H 1 7.388 0.000 . 1 . . . A 78 ALA H . 17687 1 844 . 1 1 78 78 ALA HA H 1 4.528 0.000 . 1 . . . A 78 ALA HA . 17687 1 845 . 1 1 78 78 ALA HB1 H 1 1.425 0.000 . 1 . . . A 78 ALA HB1 . 17687 1 846 . 1 1 78 78 ALA HB2 H 1 1.425 0.000 . 1 . . . A 78 ALA HB2 . 17687 1 847 . 1 1 78 78 ALA HB3 H 1 1.425 0.000 . 1 . . . A 78 ALA HB3 . 17687 1 848 . 1 1 78 78 ALA CA C 13 52.685 0.000 . 1 . . . A 78 ALA CA . 17687 1 849 . 1 1 78 78 ALA CB C 13 20.655 0.000 . 1 . . . A 78 ALA CB . 17687 1 850 . 1 1 78 78 ALA N N 15 121.591 0.000 . 1 . . . A 78 ALA N . 17687 1 851 . 1 1 79 79 SER H H 1 7.981 0.000 . 1 . . . A 79 SER H . 17687 1 852 . 1 1 79 79 SER HA H 1 4.342 0.000 . 1 . . . A 79 SER HA . 17687 1 853 . 1 1 79 79 SER HB2 H 1 4.011 0.000 . 2 . . . A 79 SER HB2 . 17687 1 854 . 1 1 79 79 SER HB3 H 1 3.746 0.000 . 2 . . . A 79 SER HB3 . 17687 1 855 . 1 1 79 79 SER CA C 13 58.889 0.000 . 1 . . . A 79 SER CA . 17687 1 856 . 1 1 79 79 SER CB C 13 64.351 0.000 . 1 . . . A 79 SER CB . 17687 1 857 . 1 1 79 79 SER N N 15 113.342 0.000 . 1 . . . A 79 SER N . 17687 1 858 . 1 1 80 80 ALA H H 1 8.628 0.000 . 1 . . . A 80 ALA H . 17687 1 859 . 1 1 80 80 ALA HA H 1 4.493 0.000 . 1 . . . A 80 ALA HA . 17687 1 860 . 1 1 80 80 ALA HB1 H 1 1.414 0.000 . 1 . . . A 80 ALA HB1 . 17687 1 861 . 1 1 80 80 ALA HB2 H 1 1.414 0.000 . 1 . . . A 80 ALA HB2 . 17687 1 862 . 1 1 80 80 ALA HB3 H 1 1.414 0.000 . 1 . . . A 80 ALA HB3 . 17687 1 863 . 1 1 80 80 ALA CA C 13 52.290 0.000 . 1 . . . A 80 ALA CA . 17687 1 864 . 1 1 80 80 ALA CB C 13 19.077 0.000 . 1 . . . A 80 ALA CB . 17687 1 865 . 1 1 80 80 ALA N N 15 126.062 0.000 . 1 . . . A 80 ALA N . 17687 1 866 . 1 1 81 81 LYS H H 1 8.063 0.000 . 1 . . . A 81 LYS H . 17687 1 867 . 1 1 81 81 LYS HA H 1 4.284 0.000 . 1 . . . A 81 LYS HA . 17687 1 868 . 1 1 81 81 LYS HB2 H 1 1.691 0.000 . 2 . . . A 81 LYS HB2 . 17687 1 869 . 1 1 81 81 LYS HB3 H 1 1.777 0.000 . 2 . . . A 81 LYS HB3 . 17687 1 870 . 1 1 81 81 LYS HG2 H 1 1.416 0.000 . 2 . . . A 81 LYS HG2 . 17687 1 871 . 1 1 81 81 LYS HG3 H 1 1.416 0.000 . 2 . . . A 81 LYS HG3 . 17687 1 872 . 1 1 81 81 LYS HD2 H 1 1.552 0.000 . 2 . . . A 81 LYS HD2 . 17687 1 873 . 1 1 81 81 LYS HD3 H 1 1.552 0.000 . 2 . . . A 81 LYS HD3 . 17687 1 874 . 1 1 81 81 LYS HE2 H 1 2.924 0.000 . 2 . . . A 81 LYS HE2 . 17687 1 875 . 1 1 81 81 LYS HE3 H 1 2.924 0.000 . 2 . . . A 81 LYS HE3 . 17687 1 876 . 1 1 81 81 LYS CA C 13 56.059 0.000 . 1 . . . A 81 LYS CA . 17687 1 877 . 1 1 81 81 LYS CB C 13 34.563 0.000 . 1 . . . A 81 LYS CB . 17687 1 878 . 1 1 81 81 LYS CG C 13 25.891 0.000 . 1 . . . A 81 LYS CG . 17687 1 879 . 1 1 81 81 LYS CD C 13 29.503 0.000 . 1 . . . A 81 LYS CD . 17687 1 880 . 1 1 81 81 LYS CE C 13 42.283 0.000 . 1 . . . A 81 LYS CE . 17687 1 881 . 1 1 81 81 LYS N N 15 118.956 0.000 . 1 . . . A 81 LYS N . 17687 1 882 . 1 1 82 82 SER H H 1 8.540 0.000 . 1 . . . A 82 SER H . 17687 1 883 . 1 1 82 82 SER HA H 1 4.397 0.000 . 1 . . . A 82 SER HA . 17687 1 884 . 1 1 82 82 SER HB2 H 1 4.084 0.000 . 2 . . . A 82 SER HB2 . 17687 1 885 . 1 1 82 82 SER HB3 H 1 4.084 0.000 . 2 . . . A 82 SER HB3 . 17687 1 886 . 1 1 82 82 SER CA C 13 57.805 0.000 . 1 . . . A 82 SER CA . 17687 1 887 . 1 1 82 82 SER CB C 13 64.982 0.000 . 1 . . . A 82 SER CB . 17687 1 888 . 1 1 82 82 SER N N 15 115.838 0.000 . 1 . . . A 82 SER N . 17687 1 889 . 1 1 83 83 LEU H H 1 8.753 0.000 . 1 . . . A 83 LEU H . 17687 1 890 . 1 1 83 83 LEU HA H 1 4.043 0.000 . 1 . . . A 83 LEU HA . 17687 1 891 . 1 1 83 83 LEU HB2 H 1 1.774 0.000 . 2 . . . A 83 LEU HB2 . 17687 1 892 . 1 1 83 83 LEU HB3 H 1 1.774 0.000 . 2 . . . A 83 LEU HB3 . 17687 1 893 . 1 1 83 83 LEU HG H 1 1.767 0.000 . 1 . . . A 83 LEU HG . 17687 1 894 . 1 1 83 83 LEU HD11 H 1 1.002 0.000 . 2 . . . A 83 LEU HD11 . 17687 1 895 . 1 1 83 83 LEU HD12 H 1 1.002 0.000 . 2 . . . A 83 LEU HD12 . 17687 1 896 . 1 1 83 83 LEU HD13 H 1 1.002 0.000 . 2 . . . A 83 LEU HD13 . 17687 1 897 . 1 1 83 83 LEU HD21 H 1 1.002 0.000 . 2 . . . A 83 LEU HD21 . 17687 1 898 . 1 1 83 83 LEU HD22 H 1 1.002 0.000 . 2 . . . A 83 LEU HD22 . 17687 1 899 . 1 1 83 83 LEU HD23 H 1 1.002 0.000 . 2 . . . A 83 LEU HD23 . 17687 1 900 . 1 1 83 83 LEU CA C 13 58.793 0.000 . 1 . . . A 83 LEU CA . 17687 1 901 . 1 1 83 83 LEU CB C 13 41.573 0.000 . 1 . . . A 83 LEU CB . 17687 1 902 . 1 1 83 83 LEU CG C 13 27.324 0.000 . 1 . . . A 83 LEU CG . 17687 1 903 . 1 1 83 83 LEU CD1 C 13 25.628 0.000 . 2 . . . A 83 LEU CD1 . 17687 1 904 . 1 1 83 83 LEU CD2 C 13 24.091 0.000 . 2 . . . A 83 LEU CD2 . 17687 1 905 . 1 1 83 83 LEU N N 15 123.122 0.000 . 1 . . . A 83 LEU N . 17687 1 906 . 1 1 84 84 GLN H H 1 8.569 0.000 . 1 . . . A 84 GLN H . 17687 1 907 . 1 1 84 84 GLN HA H 1 3.941 0.000 . 1 . . . A 84 GLN HA . 17687 1 908 . 1 1 84 84 GLN HB2 H 1 2.082 0.000 . 2 . . . A 84 GLN HB2 . 17687 1 909 . 1 1 84 84 GLN HB3 H 1 2.082 0.000 . 2 . . . A 84 GLN HB3 . 17687 1 910 . 1 1 84 84 GLN HG2 H 1 2.480 0.000 . 2 . . . A 84 GLN HG2 . 17687 1 911 . 1 1 84 84 GLN HG3 H 1 2.480 0.000 . 2 . . . A 84 GLN HG3 . 17687 1 912 . 1 1 84 84 GLN HE21 H 1 7.605 0.000 . 2 . . . A 84 GLN HE21 . 17687 1 913 . 1 1 84 84 GLN HE22 H 1 6.890 0.000 . 2 . . . A 84 GLN HE22 . 17687 1 914 . 1 1 84 84 GLN CA C 13 59.746 0.000 . 1 . . . A 84 GLN CA . 17687 1 915 . 1 1 84 84 GLN CB C 13 28.006 0.000 . 1 . . . A 84 GLN CB . 17687 1 916 . 1 1 84 84 GLN CG C 13 33.952 0.000 . 1 . . . A 84 GLN CG . 17687 1 917 . 1 1 84 84 GLN N N 15 115.278 0.000 . 1 . . . A 84 GLN N . 17687 1 918 . 1 1 84 84 GLN NE2 N 15 112.800 0.000 . 1 . . . A 84 GLN NE2 . 17687 1 919 . 1 1 85 85 GLU H H 1 7.747 0.000 . 1 . . . A 85 GLU H . 17687 1 920 . 1 1 85 85 GLU HA H 1 4.052 0.000 . 1 . . . A 85 GLU HA . 17687 1 921 . 1 1 85 85 GLU HB2 H 1 2.004 0.000 . 2 . . . A 85 GLU HB2 . 17687 1 922 . 1 1 85 85 GLU HB3 H 1 2.281 0.000 . 2 . . . A 85 GLU HB3 . 17687 1 923 . 1 1 85 85 GLU HG2 H 1 2.289 0.000 . 2 . . . A 85 GLU HG2 . 17687 1 924 . 1 1 85 85 GLU HG3 H 1 2.289 0.000 . 2 . . . A 85 GLU HG3 . 17687 1 925 . 1 1 85 85 GLU CA C 13 59.422 0.000 . 1 . . . A 85 GLU CA . 17687 1 926 . 1 1 85 85 GLU CB C 13 30.001 0.000 . 1 . . . A 85 GLU CB . 17687 1 927 . 1 1 85 85 GLU CG C 13 37.271 0.000 . 1 . . . A 85 GLU CG . 17687 1 928 . 1 1 85 85 GLU N N 15 119.836 0.000 . 1 . . . A 85 GLU N . 17687 1 929 . 1 1 86 86 LEU H H 1 8.199 0.000 . 1 . . . A 86 LEU H . 17687 1 930 . 1 1 86 86 LEU HA H 1 4.190 0.000 . 1 . . . A 86 LEU HA . 17687 1 931 . 1 1 86 86 LEU HB2 H 1 2.248 0.000 . 2 . . . A 86 LEU HB2 . 17687 1 932 . 1 1 86 86 LEU HB3 H 1 1.512 0.000 . 2 . . . A 86 LEU HB3 . 17687 1 933 . 1 1 86 86 LEU HG H 1 1.792 0.000 . 1 . . . A 86 LEU HG . 17687 1 934 . 1 1 86 86 LEU HD11 H 1 0.705 0.000 . 2 . . . A 86 LEU HD11 . 17687 1 935 . 1 1 86 86 LEU HD12 H 1 0.705 0.000 . 2 . . . A 86 LEU HD12 . 17687 1 936 . 1 1 86 86 LEU HD13 H 1 0.705 0.000 . 2 . . . A 86 LEU HD13 . 17687 1 937 . 1 1 86 86 LEU HD21 H 1 0.872 0.000 . 2 . . . A 86 LEU HD21 . 17687 1 938 . 1 1 86 86 LEU HD22 H 1 0.872 0.000 . 2 . . . A 86 LEU HD22 . 17687 1 939 . 1 1 86 86 LEU HD23 H 1 0.872 0.000 . 2 . . . A 86 LEU HD23 . 17687 1 940 . 1 1 86 86 LEU CA C 13 57.975 0.000 . 1 . . . A 86 LEU CA . 17687 1 941 . 1 1 86 86 LEU CB C 13 43.034 0.000 . 1 . . . A 86 LEU CB . 17687 1 942 . 1 1 86 86 LEU CG C 13 26.382 0.000 . 1 . . . A 86 LEU CG . 17687 1 943 . 1 1 86 86 LEU CD1 C 13 26.382 0.000 . 2 . . . A 86 LEU CD1 . 17687 1 944 . 1 1 86 86 LEU CD2 C 13 23.857 0.000 . 2 . . . A 86 LEU CD2 . 17687 1 945 . 1 1 86 86 LEU N N 15 121.311 0.000 . 1 . . . A 86 LEU N . 17687 1 946 . 1 1 87 87 LEU H H 1 8.920 0.000 . 1 . . . A 87 LEU H . 17687 1 947 . 1 1 87 87 LEU HA H 1 3.855 0.000 . 1 . . . A 87 LEU HA . 17687 1 948 . 1 1 87 87 LEU HB2 H 1 1.066 0.000 . 2 . . . A 87 LEU HB2 . 17687 1 949 . 1 1 87 87 LEU HB3 H 1 1.957 0.000 . 2 . . . A 87 LEU HB3 . 17687 1 950 . 1 1 87 87 LEU HG H 1 0.794 0.000 . 1 . . . A 87 LEU HG . 17687 1 951 . 1 1 87 87 LEU HD11 H 1 0.449 0.000 . 2 . . . A 87 LEU HD11 . 17687 1 952 . 1 1 87 87 LEU HD12 H 1 0.449 0.000 . 2 . . . A 87 LEU HD12 . 17687 1 953 . 1 1 87 87 LEU HD13 H 1 0.449 0.000 . 2 . . . A 87 LEU HD13 . 17687 1 954 . 1 1 87 87 LEU HD21 H 1 0.794 0.000 . 2 . . . A 87 LEU HD21 . 17687 1 955 . 1 1 87 87 LEU HD22 H 1 0.794 0.000 . 2 . . . A 87 LEU HD22 . 17687 1 956 . 1 1 87 87 LEU HD23 H 1 0.794 0.000 . 2 . . . A 87 LEU HD23 . 17687 1 957 . 1 1 87 87 LEU CA C 13 58.216 0.000 . 1 . . . A 87 LEU CA . 17687 1 958 . 1 1 87 87 LEU CB C 13 42.000 0.000 . 1 . . . A 87 LEU CB . 17687 1 959 . 1 1 87 87 LEU CG C 13 26.218 0.000 . 1 . . . A 87 LEU CG . 17687 1 960 . 1 1 87 87 LEU CD1 C 13 25.063 0.000 . 2 . . . A 87 LEU CD1 . 17687 1 961 . 1 1 87 87 LEU CD2 C 13 23.897 0.000 . 2 . . . A 87 LEU CD2 . 17687 1 962 . 1 1 87 87 LEU N N 15 119.870 0.000 . 1 . . . A 87 LEU N . 17687 1 963 . 1 1 88 88 SER H H 1 7.513 0.000 . 1 . . . A 88 SER H . 17687 1 964 . 1 1 88 88 SER HA H 1 4.142 0.000 . 1 . . . A 88 SER HA . 17687 1 965 . 1 1 88 88 SER HB2 H 1 3.927 0.000 . 2 . . . A 88 SER HB2 . 17687 1 966 . 1 1 88 88 SER HB3 H 1 3.927 0.000 . 2 . . . A 88 SER HB3 . 17687 1 967 . 1 1 88 88 SER CA C 13 61.379 0.000 . 1 . . . A 88 SER CA . 17687 1 968 . 1 1 88 88 SER CB C 13 62.983 0.000 . 1 . . . A 88 SER CB . 17687 1 969 . 1 1 88 88 SER N N 15 111.513 0.000 . 1 . . . A 88 SER N . 17687 1 970 . 1 1 89 89 ALA H H 1 8.012 0.000 . 1 . . . A 89 ALA H . 17687 1 971 . 1 1 89 89 ALA CA C 13 54.831 0.000 . 1 . . . A 89 ALA CA . 17687 1 972 . 1 1 89 89 ALA CB C 13 18.309 0.000 . 1 . . . A 89 ALA CB . 17687 1 973 . 1 1 89 89 ALA N N 15 122.800 0.000 . 1 . . . A 89 ALA N . 17687 1 974 . 1 1 90 90 HIS HA H 1 4.946 0.000 . 1 . . . A 90 HIS HA . 17687 1 975 . 1 1 90 90 HIS HB2 H 1 2.977 0.000 . 2 . . . A 90 HIS HB2 . 17687 1 976 . 1 1 90 90 HIS HB3 H 1 3.826 0.000 . 2 . . . A 90 HIS HB3 . 17687 1 977 . 1 1 90 90 HIS HD2 H 1 7.285 0.000 . 1 . . . A 90 HIS HD2 . 17687 1 978 . 1 1 90 90 HIS CA C 13 55.998 0.000 . 1 . . . A 90 HIS CA . 17687 1 979 . 1 1 90 90 HIS CB C 13 32.856 0.000 . 1 . . . A 90 HIS CB . 17687 1 980 . 1 1 90 90 HIS CD2 C 13 117.855 0.000 . 1 . . . A 90 HIS CD2 . 17687 1 981 . 1 1 91 91 SER H H 1 7.157 0.000 . 1 . . . A 91 SER H . 17687 1 982 . 1 1 91 91 SER HA H 1 4.445 0.000 . 1 . . . A 91 SER HA . 17687 1 983 . 1 1 91 91 SER HB2 H 1 3.849 0.000 . 2 . . . A 91 SER HB2 . 17687 1 984 . 1 1 91 91 SER HB3 H 1 4.151 0.000 . 2 . . . A 91 SER HB3 . 17687 1 985 . 1 1 91 91 SER CA C 13 60.826 0.000 . 1 . . . A 91 SER CA . 17687 1 986 . 1 1 91 91 SER CB C 13 63.874 0.000 . 1 . . . A 91 SER CB . 17687 1 987 . 1 1 91 91 SER N N 15 114.968 0.000 . 1 . . . A 91 SER N . 17687 1 988 . 1 1 92 92 LEU H H 1 9.294 0.000 . 1 . . . A 92 LEU H . 17687 1 989 . 1 1 92 92 LEU HA H 1 4.562 0.000 . 1 . . . A 92 LEU HA . 17687 1 990 . 1 1 92 92 LEU HB2 H 1 1.188 0.000 . 2 . . . A 92 LEU HB2 . 17687 1 991 . 1 1 92 92 LEU HB3 H 1 1.394 0.000 . 2 . . . A 92 LEU HB3 . 17687 1 992 . 1 1 92 92 LEU HG H 1 1.701 0.000 . 1 . . . A 92 LEU HG . 17687 1 993 . 1 1 92 92 LEU HD11 H 1 0.539 0.000 . 2 . . . A 92 LEU HD11 . 17687 1 994 . 1 1 92 92 LEU HD12 H 1 0.539 0.000 . 2 . . . A 92 LEU HD12 . 17687 1 995 . 1 1 92 92 LEU HD13 H 1 0.539 0.000 . 2 . . . A 92 LEU HD13 . 17687 1 996 . 1 1 92 92 LEU HD21 H 1 0.924 0.000 . 2 . . . A 92 LEU HD21 . 17687 1 997 . 1 1 92 92 LEU HD22 H 1 0.924 0.000 . 2 . . . A 92 LEU HD22 . 17687 1 998 . 1 1 92 92 LEU HD23 H 1 0.924 0.000 . 2 . . . A 92 LEU HD23 . 17687 1 999 . 1 1 92 92 LEU CA C 13 53.915 0.000 . 1 . . . A 92 LEU CA . 17687 1 1000 . 1 1 92 92 LEU CB C 13 46.204 0.000 . 1 . . . A 92 LEU CB . 17687 1 1001 . 1 1 92 92 LEU CG C 13 26.625 0.000 . 1 . . . A 92 LEU CG . 17687 1 1002 . 1 1 92 92 LEU CD1 C 13 25.949 0.000 . 2 . . . A 92 LEU CD1 . 17687 1 1003 . 1 1 92 92 LEU CD2 C 13 22.958 0.000 . 2 . . . A 92 LEU CD2 . 17687 1 1004 . 1 1 92 92 LEU N N 15 123.915 0.000 . 1 . . . A 92 LEU N . 17687 1 1005 . 1 1 93 93 SER H H 1 7.432 0.000 . 1 . . . A 93 SER H . 17687 1 1006 . 1 1 93 93 SER CA C 13 56.251 0.000 . 1 . . . A 93 SER CA . 17687 1 1007 . 1 1 93 93 SER CB C 13 64.146 0.000 . 1 . . . A 93 SER CB . 17687 1 1008 . 1 1 93 93 SER N N 15 110.144 0.000 . 1 . . . A 93 SER N . 17687 1 1009 . 1 1 94 94 SER HA H 1 4.324 0.000 . 1 . . . A 94 SER HA . 17687 1 1010 . 1 1 94 94 SER HB2 H 1 3.874 0.000 . 2 . . . A 94 SER HB2 . 17687 1 1011 . 1 1 94 94 SER HB3 H 1 4.061 0.000 . 2 . . . A 94 SER HB3 . 17687 1 1012 . 1 1 94 94 SER CA C 13 58.469 0.000 . 1 . . . A 94 SER CA . 17687 1 1013 . 1 1 94 94 SER CB C 13 63.052 0.000 . 1 . . . A 94 SER CB . 17687 1 1014 . 1 1 95 95 TRP H H 1 6.696 0.000 . 1 . . . A 95 TRP H . 17687 1 1015 . 1 1 95 95 TRP HA H 1 5.049 0.000 . 1 . . . A 95 TRP HA . 17687 1 1016 . 1 1 95 95 TRP HB2 H 1 3.338 0.000 . 2 . . . A 95 TRP HB2 . 17687 1 1017 . 1 1 95 95 TRP HB3 H 1 3.598 0.000 . 2 . . . A 95 TRP HB3 . 17687 1 1018 . 1 1 95 95 TRP HD1 H 1 6.528 0.000 . 1 . . . A 95 TRP HD1 . 17687 1 1019 . 1 1 95 95 TRP HE1 H 1 10.071 0.000 . 1 . . . A 95 TRP HE1 . 17687 1 1020 . 1 1 95 95 TRP HE3 H 1 7.732 0.000 . 1 . . . A 95 TRP HE3 . 17687 1 1021 . 1 1 95 95 TRP HZ2 H 1 7.479 0.000 . 1 . . . A 95 TRP HZ2 . 17687 1 1022 . 1 1 95 95 TRP HZ3 H 1 7.316 0.000 . 1 . . . A 95 TRP HZ3 . 17687 1 1023 . 1 1 95 95 TRP HH2 H 1 7.166 0.000 . 1 . . . A 95 TRP HH2 . 17687 1 1024 . 1 1 95 95 TRP CA C 13 56.872 0.000 . 1 . . . A 95 TRP CA . 17687 1 1025 . 1 1 95 95 TRP CB C 13 29.134 0.000 . 1 . . . A 95 TRP CB . 17687 1 1026 . 1 1 95 95 TRP CD1 C 13 127.398 0.000 . 1 . . . A 95 TRP CD1 . 17687 1 1027 . 1 1 95 95 TRP CE3 C 13 120.578 0.000 . 1 . . . A 95 TRP CE3 . 17687 1 1028 . 1 1 95 95 TRP CZ2 C 13 115.155 0.000 . 1 . . . A 95 TRP CZ2 . 17687 1 1029 . 1 1 95 95 TRP CZ3 C 13 123.089 0.000 . 1 . . . A 95 TRP CZ3 . 17687 1 1030 . 1 1 95 95 TRP CH2 C 13 124.530 0.000 . 1 . . . A 95 TRP CH2 . 17687 1 1031 . 1 1 95 95 TRP N N 15 118.892 0.000 . 1 . . . A 95 TRP N . 17687 1 1032 . 1 1 95 95 TRP NE1 N 15 132.690 0.000 . 1 . . . A 95 TRP NE1 . 17687 1 1033 . 1 1 96 96 GLY H H 1 8.391 0.000 . 1 . . . A 96 GLY H . 17687 1 1034 . 1 1 96 96 GLY HA2 H 1 3.938 0.000 . 2 . . . A 96 GLY HA2 . 17687 1 1035 . 1 1 96 96 GLY HA3 H 1 3.540 0.000 . 2 . . . A 96 GLY HA3 . 17687 1 1036 . 1 1 96 96 GLY CA C 13 45.051 0.000 . 1 . . . A 96 GLY CA . 17687 1 1037 . 1 1 96 96 GLY N N 15 108.423 0.000 . 1 . . . A 96 GLY N . 17687 1 1038 . 1 1 97 97 ALA H H 1 8.188 0.000 . 1 . . . A 97 ALA H . 17687 1 1039 . 1 1 97 97 ALA HA H 1 4.363 0.000 . 1 . . . A 97 ALA HA . 17687 1 1040 . 1 1 97 97 ALA HB1 H 1 1.440 0.000 . 1 . . . A 97 ALA HB1 . 17687 1 1041 . 1 1 97 97 ALA HB2 H 1 1.440 0.000 . 1 . . . A 97 ALA HB2 . 17687 1 1042 . 1 1 97 97 ALA HB3 H 1 1.440 0.000 . 1 . . . A 97 ALA HB3 . 17687 1 1043 . 1 1 97 97 ALA CA C 13 52.400 0.000 . 1 . . . A 97 ALA CA . 17687 1 1044 . 1 1 97 97 ALA CB C 13 19.672 0.000 . 1 . . . A 97 ALA CB . 17687 1 1045 . 1 1 97 97 ALA N N 15 125.334 0.000 . 1 . . . A 97 ALA N . 17687 1 1046 . 1 1 98 98 GLU H H 1 8.600 0.000 . 1 . . . A 98 GLU H . 17687 1 1047 . 1 1 98 98 GLU HA H 1 4.259 0.000 . 1 . . . A 98 GLU HA . 17687 1 1048 . 1 1 98 98 GLU HB2 H 1 1.974 0.000 . 2 . . . A 98 GLU HB2 . 17687 1 1049 . 1 1 98 98 GLU HB3 H 1 1.974 0.000 . 2 . . . A 98 GLU HB3 . 17687 1 1050 . 1 1 98 98 GLU HG2 H 1 2.261 0.000 . 2 . . . A 98 GLU HG2 . 17687 1 1051 . 1 1 98 98 GLU HG3 H 1 2.261 0.000 . 2 . . . A 98 GLU HG3 . 17687 1 1052 . 1 1 98 98 GLU CA C 13 56.727 0.000 . 1 . . . A 98 GLU CA . 17687 1 1053 . 1 1 98 98 GLU CB C 13 30.219 0.000 . 1 . . . A 98 GLU CB . 17687 1 1054 . 1 1 98 98 GLU CG C 13 36.293 0.000 . 1 . . . A 98 GLU CG . 17687 1 1055 . 1 1 98 98 GLU N N 15 121.172 0.000 . 1 . . . A 98 GLU N . 17687 1 1056 . 1 1 99 99 VAL H H 1 8.298 0.000 . 1 . . . A 99 VAL H . 17687 1 1057 . 1 1 99 99 VAL HA H 1 4.041 0.000 . 1 . . . A 99 VAL HA . 17687 1 1058 . 1 1 99 99 VAL HB H 1 1.988 0.000 . 1 . . . A 99 VAL HB . 17687 1 1059 . 1 1 99 99 VAL HG11 H 1 0.879 0.000 . 2 . . . A 99 VAL HG11 . 17687 1 1060 . 1 1 99 99 VAL HG12 H 1 0.879 0.000 . 2 . . . A 99 VAL HG12 . 17687 1 1061 . 1 1 99 99 VAL HG13 H 1 0.879 0.000 . 2 . . . A 99 VAL HG13 . 17687 1 1062 . 1 1 99 99 VAL HG21 H 1 0.879 0.000 . 2 . . . A 99 VAL HG21 . 17687 1 1063 . 1 1 99 99 VAL HG22 H 1 0.879 0.000 . 2 . . . A 99 VAL HG22 . 17687 1 1064 . 1 1 99 99 VAL HG23 H 1 0.879 0.000 . 2 . . . A 99 VAL HG23 . 17687 1 1065 . 1 1 99 99 VAL CA C 13 62.494 0.000 . 1 . . . A 99 VAL CA . 17687 1 1066 . 1 1 99 99 VAL CB C 13 32.603 0.000 . 1 . . . A 99 VAL CB . 17687 1 1067 . 1 1 99 99 VAL CG1 C 13 20.931 0.000 . 2 . . . A 99 VAL CG1 . 17687 1 1068 . 1 1 99 99 VAL CG2 C 13 20.931 0.000 . 2 . . . A 99 VAL CG2 . 17687 1 1069 . 1 1 99 99 VAL N N 15 123.022 0.000 . 1 . . . A 99 VAL N . 17687 1 1070 . 1 1 100 100 LYS H H 1 8.370 0.000 . 1 . . . A 100 LYS H . 17687 1 1071 . 1 1 100 100 LYS HA H 1 4.303 0.000 . 1 . . . A 100 LYS HA . 17687 1 1072 . 1 1 100 100 LYS HB2 H 1 1.663 0.000 . 2 . . . A 100 LYS HB2 . 17687 1 1073 . 1 1 100 100 LYS HB3 H 1 1.663 0.000 . 2 . . . A 100 LYS HB3 . 17687 1 1074 . 1 1 100 100 LYS HG2 H 1 1.317 0.000 . 2 . . . A 100 LYS HG2 . 17687 1 1075 . 1 1 100 100 LYS HG3 H 1 1.317 0.000 . 2 . . . A 100 LYS HG3 . 17687 1 1076 . 1 1 100 100 LYS HD2 H 1 1.642 0.000 . 2 . . . A 100 LYS HD2 . 17687 1 1077 . 1 1 100 100 LYS HD3 H 1 1.642 0.000 . 2 . . . A 100 LYS HD3 . 17687 1 1078 . 1 1 100 100 LYS HE2 H 1 2.961 0.000 . 2 . . . A 100 LYS HE2 . 17687 1 1079 . 1 1 100 100 LYS HE3 H 1 2.961 0.000 . 2 . . . A 100 LYS HE3 . 17687 1 1080 . 1 1 100 100 LYS CA C 13 55.986 0.000 . 1 . . . A 100 LYS CA . 17687 1 1081 . 1 1 100 100 LYS CB C 13 33.210 0.000 . 1 . . . A 100 LYS CB . 17687 1 1082 . 1 1 100 100 LYS CG C 13 24.664 0.000 . 1 . . . A 100 LYS CG . 17687 1 1083 . 1 1 100 100 LYS CD C 13 29.029 0.000 . 1 . . . A 100 LYS CD . 17687 1 1084 . 1 1 100 100 LYS CE C 13 42.103 0.000 . 1 . . . A 100 LYS CE . 17687 1 1085 . 1 1 100 100 LYS N N 15 125.433 0.000 . 1 . . . A 100 LYS N . 17687 1 1086 . 1 1 101 101 HIS H H 1 8.282 0.000 . 1 . . . A 101 HIS H . 17687 1 1087 . 1 1 101 101 HIS HA H 1 4.585 0.000 . 1 . . . A 101 HIS HA . 17687 1 1088 . 1 1 101 101 HIS HB2 H 1 3.067 0.000 . 2 . . . A 101 HIS HB2 . 17687 1 1089 . 1 1 101 101 HIS HB3 H 1 3.067 0.000 . 2 . . . A 101 HIS HB3 . 17687 1 1090 . 1 1 101 101 HIS CA C 13 56.134 0.000 . 1 . . . A 101 HIS CA . 17687 1 1091 . 1 1 101 101 HIS CB C 13 30.722 0.000 . 1 . . . A 101 HIS CB . 17687 1 1092 . 1 1 101 101 HIS N N 15 120.876 0.000 . 1 . . . A 101 HIS N . 17687 1 1093 . 1 1 102 102 HIS H H 1 7.977 0.000 . 1 . . . A 102 HIS H . 17687 1 1094 . 1 1 102 102 HIS CA C 13 57.506 0.000 . 1 . . . A 102 HIS CA . 17687 1 1095 . 1 1 102 102 HIS N N 15 125.620 0.000 . 1 . . . A 102 HIS N . 17687 1 stop_ save_