data_19232 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19232 _Entry.Title ; NMR structure of a two-domain RNA-binding fragment of Nrd1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-08 _Entry.Accession_date 2013-05-08 _Entry.Last_release_date 2014-05-12 _Entry.Original_release_date 2014-05-12 _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 SOLUTION _Entry.Details 'The structure was solved using ILV-protonated sample on a highly deuterated background' _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 Veronika Bacikova . . . 19232 2 Josef Pasulka . . . 19232 3 Karel Kubicek . . . 19232 4 Richard Stefl . . . 19232 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' . 19232 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NMR spectroscopy' . 19232 'Nrd1 complex' . 19232 'RNA binding' . 19232 'RNA processing and degradation' . 19232 'RRM structure' . 19232 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19232 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 71 19232 '15N chemical shifts' 127 19232 '1H chemical shifts' 327 19232 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 . . 2014-05-12 2013-05-08 original author . 19232 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19232 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure and semi-sequence-specific RNA binding of Nrd1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Veronika Bacikova . . . 19232 1 2 Josef Pasulka . . . 19232 1 3 Karel Kubicek . . . 19232 1 4 Richard Stefl . . . 19232 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19232 _Assembly.ID 1 _Assembly.Name 'two-domain RNA-binding fragment of Nrd1' _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 'two-domain RNA-binding fragment of Nrd1' 1 $entity A . yes native no no . . . 19232 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19232 _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 ; PDELNVSNNPHYRPKPVSYD STLPPDHIKVYSRTLFIGGV PLNMKEWDLANVLKPFAEVQ SVILNNSRKHAFVKVYSRHE AENVLQNFNKDGALPLRTRW GVGFGPRDCCDYQHGYSIIP MHRLTDADKKWSVSAQWGGT SGQPLVTGIVFEEPDIIVGE GVSSKAISQKMPTDSGRNGP RSGKP ; _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 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20597.416 _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 2M88 . "Nmr Structure Of A Two-domain Rna-binding Fragment Of Nrd1" . . . . . 100.00 194 100.00 100.00 1.65e-133 . . . . 19232 1 2 no DBJ GAA25857 . "K7_Nrd1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 1 3 no EMBL CAA65493 . "NRD1 [Saccharomyces cerevisiae]" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 1 4 no EMBL CAA96158 . "NRD1 [Saccharomyces cerevisiae]" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 1 5 no EMBL CAY82359 . "Nrd1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 1 6 no GB AAC49568 . "Nrd1p [Saccharomyces cerevisiae]" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 1 7 no GB AHY76857 . "Nrd1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 1 8 no GB AJP41095 . "Nrd1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 575 100.00 100.00 4.54e-132 . . . . 19232 1 9 no GB AJT01532 . "Nrd1p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 1 10 no GB AJT01902 . "Nrd1p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 575 100.00 100.00 4.59e-132 . . . . 19232 1 11 no REF NP_014148 . "Nrd1 complex RNA-binding subunit [Saccharomyces cerevisiae S288c]" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 1 12 no SP P53617 . "RecName: Full=Protein NRD1" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 1 13 no TPG DAA10308 . "TPA: Nrd1 complex RNA-binding subunit [Saccharomyces cerevisiae S288c]" . . . . . 100.00 575 100.00 100.00 5.89e-132 . . . . 19232 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 . PRO . 19232 1 2 . ASP . 19232 1 3 . GLU . 19232 1 4 . LEU . 19232 1 5 . ASN . 19232 1 6 . VAL . 19232 1 7 . SER . 19232 1 8 . ASN . 19232 1 9 . ASN . 19232 1 10 . PRO . 19232 1 11 . HIS . 19232 1 12 . TYR . 19232 1 13 . ARG . 19232 1 14 . PRO . 19232 1 15 . LYS . 19232 1 16 . PRO . 19232 1 17 . VAL . 19232 1 18 . SER . 19232 1 19 . TYR . 19232 1 20 . ASP . 19232 1 21 . SER . 19232 1 22 . THR . 19232 1 23 . LEU . 19232 1 24 . PRO . 19232 1 25 . PRO . 19232 1 26 . ASP . 19232 1 27 . HIS . 19232 1 28 . ILE . 19232 1 29 . LYS . 19232 1 30 . VAL . 19232 1 31 . TYR . 19232 1 32 . SER . 19232 1 33 . ARG . 19232 1 34 . THR . 19232 1 35 . LEU . 19232 1 36 . PHE . 19232 1 37 . ILE . 19232 1 38 . GLY . 19232 1 39 . GLY . 19232 1 40 . VAL . 19232 1 41 . PRO . 19232 1 42 . LEU . 19232 1 43 . ASN . 19232 1 44 . MET . 19232 1 45 . LYS . 19232 1 46 . GLU . 19232 1 47 . TRP . 19232 1 48 . ASP . 19232 1 49 . LEU . 19232 1 50 . ALA . 19232 1 51 . ASN . 19232 1 52 . VAL . 19232 1 53 . LEU . 19232 1 54 . LYS . 19232 1 55 . PRO . 19232 1 56 . PHE . 19232 1 57 . ALA . 19232 1 58 . GLU . 19232 1 59 . VAL . 19232 1 60 . GLN . 19232 1 61 . SER . 19232 1 62 . VAL . 19232 1 63 . ILE . 19232 1 64 . LEU . 19232 1 65 . ASN . 19232 1 66 . ASN . 19232 1 67 . SER . 19232 1 68 . ARG . 19232 1 69 . LYS . 19232 1 70 . HIS . 19232 1 71 . ALA . 19232 1 72 . PHE . 19232 1 73 . VAL . 19232 1 74 . LYS . 19232 1 75 . VAL . 19232 1 76 . TYR . 19232 1 77 . SER . 19232 1 78 . ARG . 19232 1 79 . HIS . 19232 1 80 . GLU . 19232 1 81 . ALA . 19232 1 82 . GLU . 19232 1 83 . ASN . 19232 1 84 . VAL . 19232 1 85 . LEU . 19232 1 86 . GLN . 19232 1 87 . ASN . 19232 1 88 . PHE . 19232 1 89 . ASN . 19232 1 90 . LYS . 19232 1 91 . ASP . 19232 1 92 . GLY . 19232 1 93 . ALA . 19232 1 94 . LEU . 19232 1 95 . PRO . 19232 1 96 . LEU . 19232 1 97 . ARG . 19232 1 98 . THR . 19232 1 99 . ARG . 19232 1 100 . TRP . 19232 1 101 . GLY . 19232 1 102 . VAL . 19232 1 103 . GLY . 19232 1 104 . PHE . 19232 1 105 . GLY . 19232 1 106 . PRO . 19232 1 107 . ARG . 19232 1 108 . ASP . 19232 1 109 . CYS . 19232 1 110 . CYS . 19232 1 111 . ASP . 19232 1 112 . TYR . 19232 1 113 . GLN . 19232 1 114 . HIS . 19232 1 115 . GLY . 19232 1 116 . TYR . 19232 1 117 . SER . 19232 1 118 . ILE . 19232 1 119 . ILE . 19232 1 120 . PRO . 19232 1 121 . MET . 19232 1 122 . HIS . 19232 1 123 . ARG . 19232 1 124 . LEU . 19232 1 125 . THR . 19232 1 126 . ASP . 19232 1 127 . ALA . 19232 1 128 . ASP . 19232 1 129 . LYS . 19232 1 130 . LYS . 19232 1 131 . TRP . 19232 1 132 . SER . 19232 1 133 . VAL . 19232 1 134 . SER . 19232 1 135 . ALA . 19232 1 136 . GLN . 19232 1 137 . TRP . 19232 1 138 . GLY . 19232 1 139 . GLY . 19232 1 140 . THR . 19232 1 141 . SER . 19232 1 142 . GLY . 19232 1 143 . GLN . 19232 1 144 . PRO . 19232 1 145 . LEU . 19232 1 146 . VAL . 19232 1 147 . THR . 19232 1 148 . GLY . 19232 1 149 . ILE . 19232 1 150 . VAL . 19232 1 151 . PHE . 19232 1 152 . GLU . 19232 1 153 . GLU . 19232 1 154 . PRO . 19232 1 155 . ASP . 19232 1 156 . ILE . 19232 1 157 . ILE . 19232 1 158 . VAL . 19232 1 159 . GLY . 19232 1 160 . GLU . 19232 1 161 . GLY . 19232 1 162 . VAL . 19232 1 163 . SER . 19232 1 164 . SER . 19232 1 165 . LYS . 19232 1 166 . ALA . 19232 1 167 . ILE . 19232 1 168 . SER . 19232 1 169 . GLN . 19232 1 170 . LYS . 19232 1 171 . MET . 19232 1 172 . PRO . 19232 1 173 . THR . 19232 1 174 . ASP . 19232 1 175 . SER . 19232 1 176 . GLY . 19232 1 177 . ARG . 19232 1 178 . ASN . 19232 1 179 . GLY . 19232 1 180 . PRO . 19232 1 181 . ARG . 19232 1 182 . SER . 19232 1 183 . GLY . 19232 1 184 . LYS . 19232 1 185 . PRO . 19232 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 . PRO 1 1 19232 1 . ASP 2 2 19232 1 . GLU 3 3 19232 1 . LEU 4 4 19232 1 . ASN 5 5 19232 1 . VAL 6 6 19232 1 . SER 7 7 19232 1 . ASN 8 8 19232 1 . ASN 9 9 19232 1 . PRO 10 10 19232 1 . HIS 11 11 19232 1 . TYR 12 12 19232 1 . ARG 13 13 19232 1 . PRO 14 14 19232 1 . LYS 15 15 19232 1 . PRO 16 16 19232 1 . VAL 17 17 19232 1 . SER 18 18 19232 1 . TYR 19 19 19232 1 . ASP 20 20 19232 1 . SER 21 21 19232 1 . THR 22 22 19232 1 . LEU 23 23 19232 1 . PRO 24 24 19232 1 . PRO 25 25 19232 1 . ASP 26 26 19232 1 . HIS 27 27 19232 1 . ILE 28 28 19232 1 . LYS 29 29 19232 1 . VAL 30 30 19232 1 . TYR 31 31 19232 1 . SER 32 32 19232 1 . ARG 33 33 19232 1 . THR 34 34 19232 1 . LEU 35 35 19232 1 . PHE 36 36 19232 1 . ILE 37 37 19232 1 . GLY 38 38 19232 1 . GLY 39 39 19232 1 . VAL 40 40 19232 1 . PRO 41 41 19232 1 . LEU 42 42 19232 1 . ASN 43 43 19232 1 . MET 44 44 19232 1 . LYS 45 45 19232 1 . GLU 46 46 19232 1 . TRP 47 47 19232 1 . ASP 48 48 19232 1 . LEU 49 49 19232 1 . ALA 50 50 19232 1 . ASN 51 51 19232 1 . VAL 52 52 19232 1 . LEU 53 53 19232 1 . LYS 54 54 19232 1 . PRO 55 55 19232 1 . PHE 56 56 19232 1 . ALA 57 57 19232 1 . GLU 58 58 19232 1 . VAL 59 59 19232 1 . GLN 60 60 19232 1 . SER 61 61 19232 1 . VAL 62 62 19232 1 . ILE 63 63 19232 1 . LEU 64 64 19232 1 . ASN 65 65 19232 1 . ASN 66 66 19232 1 . SER 67 67 19232 1 . ARG 68 68 19232 1 . LYS 69 69 19232 1 . HIS 70 70 19232 1 . ALA 71 71 19232 1 . PHE 72 72 19232 1 . VAL 73 73 19232 1 . LYS 74 74 19232 1 . VAL 75 75 19232 1 . TYR 76 76 19232 1 . SER 77 77 19232 1 . ARG 78 78 19232 1 . HIS 79 79 19232 1 . GLU 80 80 19232 1 . ALA 81 81 19232 1 . GLU 82 82 19232 1 . ASN 83 83 19232 1 . VAL 84 84 19232 1 . LEU 85 85 19232 1 . GLN 86 86 19232 1 . ASN 87 87 19232 1 . PHE 88 88 19232 1 . ASN 89 89 19232 1 . LYS 90 90 19232 1 . ASP 91 91 19232 1 . GLY 92 92 19232 1 . ALA 93 93 19232 1 . LEU 94 94 19232 1 . PRO 95 95 19232 1 . LEU 96 96 19232 1 . ARG 97 97 19232 1 . THR 98 98 19232 1 . ARG 99 99 19232 1 . TRP 100 100 19232 1 . GLY 101 101 19232 1 . VAL 102 102 19232 1 . GLY 103 103 19232 1 . PHE 104 104 19232 1 . GLY 105 105 19232 1 . PRO 106 106 19232 1 . ARG 107 107 19232 1 . ASP 108 108 19232 1 . CYS 109 109 19232 1 . CYS 110 110 19232 1 . ASP 111 111 19232 1 . TYR 112 112 19232 1 . GLN 113 113 19232 1 . HIS 114 114 19232 1 . GLY 115 115 19232 1 . TYR 116 116 19232 1 . SER 117 117 19232 1 . ILE 118 118 19232 1 . ILE 119 119 19232 1 . PRO 120 120 19232 1 . MET 121 121 19232 1 . HIS 122 122 19232 1 . ARG 123 123 19232 1 . LEU 124 124 19232 1 . THR 125 125 19232 1 . ASP 126 126 19232 1 . ALA 127 127 19232 1 . ASP 128 128 19232 1 . LYS 129 129 19232 1 . LYS 130 130 19232 1 . TRP 131 131 19232 1 . SER 132 132 19232 1 . VAL 133 133 19232 1 . SER 134 134 19232 1 . ALA 135 135 19232 1 . GLN 136 136 19232 1 . TRP 137 137 19232 1 . GLY 138 138 19232 1 . GLY 139 139 19232 1 . THR 140 140 19232 1 . SER 141 141 19232 1 . GLY 142 142 19232 1 . GLN 143 143 19232 1 . PRO 144 144 19232 1 . LEU 145 145 19232 1 . VAL 146 146 19232 1 . THR 147 147 19232 1 . GLY 148 148 19232 1 . ILE 149 149 19232 1 . VAL 150 150 19232 1 . PHE 151 151 19232 1 . GLU 152 152 19232 1 . GLU 153 153 19232 1 . PRO 154 154 19232 1 . ASP 155 155 19232 1 . ILE 156 156 19232 1 . ILE 157 157 19232 1 . VAL 158 158 19232 1 . GLY 159 159 19232 1 . GLU 160 160 19232 1 . GLY 161 161 19232 1 . VAL 162 162 19232 1 . SER 163 163 19232 1 . SER 164 164 19232 1 . LYS 165 165 19232 1 . ALA 166 166 19232 1 . ILE 167 167 19232 1 . SER 168 168 19232 1 . GLN 169 169 19232 1 . LYS 170 170 19232 1 . MET 171 171 19232 1 . PRO 172 172 19232 1 . THR 173 173 19232 1 . ASP 174 174 19232 1 . SER 175 175 19232 1 . GLY 176 176 19232 1 . ARG 177 177 19232 1 . ASN 178 178 19232 1 . GLY 179 179 19232 1 . PRO 180 180 19232 1 . ARG 181 181 19232 1 . SER 182 182 19232 1 . GLY 183 183 19232 1 . LYS 184 184 19232 1 . PRO 185 185 19232 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 19232 _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 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19232 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 19232 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 19232 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19232 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . 0.4 . . mM . . . . 19232 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19232 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19232 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 19232 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19232 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity . . 0.4 . . mM . . . . 19232 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19232 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19232 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 19232 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19232 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'selectively protonated I, L, V amino acids' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N; U-2H]' . . 1 $entity . . 0.4 . . mM . . . . 19232 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19232 3 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19232 3 4 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 19232 3 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 19232 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8 . pH 19232 1 pressure 1 . atm 19232 1 temperature 273 . K 19232 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19232 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8 . pH 19232 2 pressure 1 . atm 19232 2 temperature 273 . K 19232 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 19232 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8 . pH 19232 3 pressure 1 . atm 19232 3 temperature 273 . K 19232 3 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19232 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19232 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR spectra analysis' 19232 1 'peak picking' 19232 1 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 19232 _Software.ID 2 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 19232 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'quality validation' 19232 2 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 19232 _Software.ID 3 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 19232 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'quality validation' 19232 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19232 _Software.ID 4 _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' . . 19232 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19232 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19232 _Software.ID 5 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19232 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19232 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 19232 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 19232 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID visualization 19232 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19232 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19232 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19232 7 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 19232 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19232 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19232 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19232 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19232 _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 Bruker Avance . 600 . . . 19232 1 2 spectrometer_2 Bruker Avance . 700 . . . 19232 1 3 spectrometer_3 Bruker Avance . 950 . . . 19232 1 4 spectrometer_4 Bruker Avance . 900 . . . 19232 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 19232 _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 . . . . . . . . . . . . . . . . . . . . . 19232 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19232 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19232 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19232 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19232 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19232 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19232 1 8 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19232 1 9 '4D HCCH methyl NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 19232 1 10 '3D HCCCONH' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 19232 1 11 '3D CCH TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 19232 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 19232 _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 TMS 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 19232 1 H 1 TMS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 19232 1 N 15 TMS nitrogen . . . . ppm 0 internal direct 1.0 . . . . . . . . . 19232 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 19232 _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' . . . 19232 1 2 '3D HNCA' . . . 19232 1 3 '3D HN(CO)CA' . . . 19232 1 4 '3D HNCACB' . . . 19232 1 5 '3D HN(COCA)CB' . . . 19232 1 6 '2D 1H-15N HSQC' . . . 19232 1 7 '3D HNCO' . . . 19232 1 8 '3D HCACO' . . . 19232 1 9 '4D HCCH methyl NOESY' . . . 19232 1 10 '3D HCCCONH' . . . 19232 1 11 '3D CCH TOCSY' . . . 19232 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 17 17 VAL HG11 H 1 0.764 0.020 . 2 . . . A 17 VAL HG11 . 19232 1 2 . 1 1 17 17 VAL HG12 H 1 0.764 0.020 . 2 . . . A 17 VAL HG12 . 19232 1 3 . 1 1 17 17 VAL HG13 H 1 0.764 0.020 . 2 . . . A 17 VAL HG13 . 19232 1 4 . 1 1 17 17 VAL HG21 H 1 0.885 0.020 . 2 . . . A 17 VAL HG21 . 19232 1 5 . 1 1 17 17 VAL HG22 H 1 0.885 0.020 . 2 . . . A 17 VAL HG22 . 19232 1 6 . 1 1 17 17 VAL HG23 H 1 0.885 0.020 . 2 . . . A 17 VAL HG23 . 19232 1 7 . 1 1 17 17 VAL CG1 C 13 18.120 0.300 . 1 . . . A 17 VAL CG1 . 19232 1 8 . 1 1 17 17 VAL CG2 C 13 18.950 0.300 . 1 . . . A 17 VAL CG2 . 19232 1 9 . 1 1 18 18 SER H H 1 8.786 0.020 . 1 . . . A 18 SER H . 19232 1 10 . 1 1 18 18 SER N N 15 122.200 0.300 . 1 . . . A 18 SER N . 19232 1 11 . 1 1 19 19 TYR H H 1 8.135 0.020 . 1 . . . A 19 TYR H . 19232 1 12 . 1 1 19 19 TYR N N 15 115.700 0.300 . 1 . . . A 19 TYR N . 19232 1 13 . 1 1 20 20 ASP H H 1 9.595 0.020 . 1 . . . A 20 ASP H . 19232 1 14 . 1 1 20 20 ASP N N 15 126.400 0.300 . 1 . . . A 20 ASP N . 19232 1 15 . 1 1 22 22 THR H H 1 8.875 0.020 . 1 . . . A 22 THR H . 19232 1 16 . 1 1 22 22 THR N N 15 113.200 0.300 . 1 . . . A 22 THR N . 19232 1 17 . 1 1 23 23 LEU H H 1 6.765 0.020 . 1 . . . A 23 LEU H . 19232 1 18 . 1 1 23 23 LEU HG H 1 1.530 0.020 . 1 . . . A 23 LEU HG . 19232 1 19 . 1 1 23 23 LEU HD11 H 1 0.554 0.020 . 2 . . . A 23 LEU HD11 . 19232 1 20 . 1 1 23 23 LEU HD12 H 1 0.554 0.020 . 2 . . . A 23 LEU HD12 . 19232 1 21 . 1 1 23 23 LEU HD13 H 1 0.554 0.020 . 2 . . . A 23 LEU HD13 . 19232 1 22 . 1 1 23 23 LEU HD21 H 1 0.640 0.020 . 2 . . . A 23 LEU HD21 . 19232 1 23 . 1 1 23 23 LEU HD22 H 1 0.640 0.020 . 2 . . . A 23 LEU HD22 . 19232 1 24 . 1 1 23 23 LEU HD23 H 1 0.640 0.020 . 2 . . . A 23 LEU HD23 . 19232 1 25 . 1 1 23 23 LEU CG C 13 23.350 0.300 . 1 . . . A 23 LEU CG . 19232 1 26 . 1 1 23 23 LEU CD1 C 13 20.000 0.300 . 1 . . . A 23 LEU CD1 . 19232 1 27 . 1 1 23 23 LEU CD2 C 13 23.000 0.300 . 1 . . . A 23 LEU CD2 . 19232 1 28 . 1 1 23 23 LEU N N 15 122.800 0.300 . 1 . . . A 23 LEU N . 19232 1 29 . 1 1 26 26 ASP H H 1 9.395 0.020 . 1 . . . A 26 ASP H . 19232 1 30 . 1 1 26 26 ASP N N 15 123.500 0.300 . 1 . . . A 26 ASP N . 19232 1 31 . 1 1 27 27 HIS H H 1 7.965 0.020 . 1 . . . A 27 HIS H . 19232 1 32 . 1 1 27 27 HIS N N 15 116.900 0.300 . 1 . . . A 27 HIS N . 19232 1 33 . 1 1 28 28 ILE H H 1 8.115 0.020 . 1 . . . A 28 ILE H . 19232 1 34 . 1 1 28 28 ILE HG12 H 1 0.425 0.020 . 1 . . . A 28 ILE HG12 . 19232 1 35 . 1 1 28 28 ILE HG13 H 1 0.425 0.020 . 1 . . . A 28 ILE HG13 . 19232 1 36 . 1 1 28 28 ILE HD11 H 1 0.665 0.020 . 1 . . . A 28 ILE HD11 . 19232 1 37 . 1 1 28 28 ILE HD12 H 1 0.665 0.020 . 1 . . . A 28 ILE HD12 . 19232 1 38 . 1 1 28 28 ILE HD13 H 1 0.665 0.020 . 1 . . . A 28 ILE HD13 . 19232 1 39 . 1 1 28 28 ILE CG1 C 13 23.685 0.300 . 1 . . . A 28 ILE CG1 . 19232 1 40 . 1 1 28 28 ILE CD1 C 13 10.735 0.300 . 1 . . . A 28 ILE CD1 . 19232 1 41 . 1 1 28 28 ILE N N 15 113.200 0.300 . 1 . . . A 28 ILE N . 19232 1 42 . 1 1 29 29 LYS H H 1 8.610 0.020 . 1 . . . A 29 LYS H . 19232 1 43 . 1 1 29 29 LYS N N 15 123.200 0.300 . 1 . . . A 29 LYS N . 19232 1 44 . 1 1 30 30 VAL H H 1 8.130 0.020 . 1 . . . A 30 VAL H . 19232 1 45 . 1 1 30 30 VAL HG11 H 1 0.420 0.020 . 2 . . . A 30 VAL HG11 . 19232 1 46 . 1 1 30 30 VAL HG12 H 1 0.420 0.020 . 2 . . . A 30 VAL HG12 . 19232 1 47 . 1 1 30 30 VAL HG13 H 1 0.420 0.020 . 2 . . . A 30 VAL HG13 . 19232 1 48 . 1 1 30 30 VAL HG21 H 1 -0.002 0.300 . 2 . . . A 30 VAL HG21 . 19232 1 49 . 1 1 30 30 VAL HG22 H 1 -0.002 0.300 . 2 . . . A 30 VAL HG22 . 19232 1 50 . 1 1 30 30 VAL HG23 H 1 -0.002 0.300 . 2 . . . A 30 VAL HG23 . 19232 1 51 . 1 1 30 30 VAL CG1 C 13 17.460 0.300 . 1 . . . A 30 VAL CG1 . 19232 1 52 . 1 1 30 30 VAL CG2 C 13 17.660 0.300 . 1 . . . A 30 VAL CG2 . 19232 1 53 . 1 1 30 30 VAL N N 15 122.300 0.300 . 1 . . . A 30 VAL N . 19232 1 54 . 1 1 31 31 TYR H H 1 8.520 0.020 . 1 . . . A 31 TYR H . 19232 1 55 . 1 1 31 31 TYR N N 15 124.000 0.300 . 1 . . . A 31 TYR N . 19232 1 56 . 1 1 32 32 SER H H 1 7.295 0.020 . 1 . . . A 32 SER H . 19232 1 57 . 1 1 32 32 SER N N 15 117.600 0.300 . 1 . . . A 32 SER N . 19232 1 58 . 1 1 33 33 ARG H H 1 9.485 0.020 . 1 . . . A 33 ARG H . 19232 1 59 . 1 1 33 33 ARG N N 15 125.000 0.300 . 1 . . . A 33 ARG N . 19232 1 60 . 1 1 34 34 THR H H 1 9.235 0.020 . 1 . . . A 34 THR H . 19232 1 61 . 1 1 34 34 THR N N 15 119.400 0.300 . 1 . . . A 34 THR N . 19232 1 62 . 1 1 35 35 LEU H H 1 9.510 0.020 . 1 . . . A 35 LEU H . 19232 1 63 . 1 1 35 35 LEU HG H 1 1.370 0.020 . 1 . . . A 35 LEU HG . 19232 1 64 . 1 1 35 35 LEU HD11 H 1 0.315 0.020 . 2 . . . A 35 LEU HD11 . 19232 1 65 . 1 1 35 35 LEU HD12 H 1 0.315 0.020 . 2 . . . A 35 LEU HD12 . 19232 1 66 . 1 1 35 35 LEU HD13 H 1 0.315 0.020 . 2 . . . A 35 LEU HD13 . 19232 1 67 . 1 1 35 35 LEU HD21 H 1 0.435 0.020 . 2 . . . A 35 LEU HD21 . 19232 1 68 . 1 1 35 35 LEU HD22 H 1 0.435 0.020 . 2 . . . A 35 LEU HD22 . 19232 1 69 . 1 1 35 35 LEU HD23 H 1 0.435 0.020 . 2 . . . A 35 LEU HD23 . 19232 1 70 . 1 1 35 35 LEU CG C 13 23.420 0.300 . 1 . . . A 35 LEU CG . 19232 1 71 . 1 1 35 35 LEU CD1 C 13 20.350 0.300 . 1 . . . A 35 LEU CD1 . 19232 1 72 . 1 1 35 35 LEU CD2 C 13 21.450 0.300 . 1 . . . A 35 LEU CD2 . 19232 1 73 . 1 1 35 35 LEU N N 15 126.200 0.300 . 1 . . . A 35 LEU N . 19232 1 74 . 1 1 36 36 PHE H H 1 8.820 0.020 . 1 . . . A 36 PHE H . 19232 1 75 . 1 1 36 36 PHE N N 15 124.000 0.300 . 1 . . . A 36 PHE N . 19232 1 76 . 1 1 37 37 ILE H H 1 8.260 0.020 . 1 . . . A 37 ILE H . 19232 1 77 . 1 1 37 37 ILE HG12 H 1 0.900 0.020 . 1 . . . A 37 ILE HG12 . 19232 1 78 . 1 1 37 37 ILE HG13 H 1 0.900 0.020 . 1 . . . A 37 ILE HG13 . 19232 1 79 . 1 1 37 37 ILE HD11 H 1 0.370 0.020 . 1 . . . A 37 ILE HD11 . 19232 1 80 . 1 1 37 37 ILE HD12 H 1 0.370 0.020 . 1 . . . A 37 ILE HD12 . 19232 1 81 . 1 1 37 37 ILE HD13 H 1 0.370 0.020 . 1 . . . A 37 ILE HD13 . 19232 1 82 . 1 1 37 37 ILE CG1 C 13 22.910 0.300 . 1 . . . A 37 ILE CG1 . 19232 1 83 . 1 1 37 37 ILE CD1 C 13 9.550 0.300 . 1 . . . A 37 ILE CD1 . 19232 1 84 . 1 1 37 37 ILE N N 15 127.200 0.300 . 1 . . . A 37 ILE N . 19232 1 85 . 1 1 38 38 GLY H H 1 8.670 0.020 . 1 . . . A 38 GLY H . 19232 1 86 . 1 1 38 38 GLY N N 15 112.400 0.300 . 1 . . . A 38 GLY N . 19232 1 87 . 1 1 39 39 GLY H H 1 8.360 0.020 . 1 . . . A 39 GLY H . 19232 1 88 . 1 1 39 39 GLY N N 15 108.300 0.300 . 1 . . . A 39 GLY N . 19232 1 89 . 1 1 40 40 VAL H H 1 7.380 0.020 . 1 . . . A 40 VAL H . 19232 1 90 . 1 1 40 40 VAL HB H 1 1.225 0.020 . 1 . . . A 40 VAL HB . 19232 1 91 . 1 1 40 40 VAL HG11 H 1 0.363 0.020 . 2 . . . A 40 VAL HG11 . 19232 1 92 . 1 1 40 40 VAL HG12 H 1 0.363 0.020 . 2 . . . A 40 VAL HG12 . 19232 1 93 . 1 1 40 40 VAL HG13 H 1 0.363 0.020 . 2 . . . A 40 VAL HG13 . 19232 1 94 . 1 1 40 40 VAL HG21 H 1 0.714 0.020 . 2 . . . A 40 VAL HG21 . 19232 1 95 . 1 1 40 40 VAL HG22 H 1 0.714 0.020 . 2 . . . A 40 VAL HG22 . 19232 1 96 . 1 1 40 40 VAL HG23 H 1 0.714 0.020 . 2 . . . A 40 VAL HG23 . 19232 1 97 . 1 1 40 40 VAL CG1 C 13 18.160 0.300 . 1 . . . A 40 VAL CG1 . 19232 1 98 . 1 1 40 40 VAL CG2 C 13 17.770 0.300 . 1 . . . A 40 VAL CG2 . 19232 1 99 . 1 1 40 40 VAL N N 15 121.200 0.300 . 1 . . . A 40 VAL N . 19232 1 100 . 1 1 42 42 LEU H H 1 8.225 0.020 . 1 . . . A 42 LEU H . 19232 1 101 . 1 1 42 42 LEU HG H 1 1.545 0.020 . 1 . . . A 42 LEU HG . 19232 1 102 . 1 1 42 42 LEU HD11 H 1 0.780 0.020 . 2 . . . A 42 LEU HD11 . 19232 1 103 . 1 1 42 42 LEU HD12 H 1 0.780 0.020 . 2 . . . A 42 LEU HD12 . 19232 1 104 . 1 1 42 42 LEU HD13 H 1 0.780 0.020 . 2 . . . A 42 LEU HD13 . 19232 1 105 . 1 1 42 42 LEU HD21 H 1 0.802 0.020 . 2 . . . A 42 LEU HD21 . 19232 1 106 . 1 1 42 42 LEU HD22 H 1 0.802 0.020 . 2 . . . A 42 LEU HD22 . 19232 1 107 . 1 1 42 42 LEU HD23 H 1 0.802 0.020 . 2 . . . A 42 LEU HD23 . 19232 1 108 . 1 1 42 42 LEU CG C 13 23.620 0.300 . 1 . . . A 42 LEU CG . 19232 1 109 . 1 1 42 42 LEU CD1 C 13 20.610 0.300 . 1 . . . A 42 LEU CD1 . 19232 1 110 . 1 1 42 42 LEU CD2 C 13 21.150 0.300 . 1 . . . A 42 LEU CD2 . 19232 1 111 . 1 1 42 42 LEU N N 15 120.800 0.300 . 1 . . . A 42 LEU N . 19232 1 112 . 1 1 43 43 ASN H H 1 7.980 0.020 . 1 . . . A 43 ASN H . 19232 1 113 . 1 1 43 43 ASN N N 15 112.300 0.300 . 1 . . . A 43 ASN N . 19232 1 114 . 1 1 44 44 MET H H 1 7.470 0.020 . 1 . . . A 44 MET H . 19232 1 115 . 1 1 44 44 MET N N 15 122.000 0.300 . 1 . . . A 44 MET N . 19232 1 116 . 1 1 45 45 LYS H H 1 8.945 0.020 . 1 . . . A 45 LYS H . 19232 1 117 . 1 1 45 45 LYS N N 15 124.100 0.300 . 1 . . . A 45 LYS N . 19232 1 118 . 1 1 46 46 GLU H H 1 9.985 0.020 . 1 . . . A 46 GLU H . 19232 1 119 . 1 1 46 46 GLU N N 15 122.400 0.300 . 1 . . . A 46 GLU N . 19232 1 120 . 1 1 47 47 TRP H H 1 7.840 0.020 . 1 . . . A 47 TRP H . 19232 1 121 . 1 1 47 47 TRP HE1 H 1 10.100 0.300 . 1 . . . A 47 TRP HE1 . 19232 1 122 . 1 1 47 47 TRP N N 15 115.200 0.300 . 1 . . . A 47 TRP N . 19232 1 123 . 1 1 47 47 TRP NE1 N 15 131.000 0.300 . 1 . . . A 47 TRP NE1 . 19232 1 124 . 1 1 48 48 ASP H H 1 6.700 0.020 . 1 . . . A 48 ASP H . 19232 1 125 . 1 1 48 48 ASP N N 15 118.900 0.300 . 1 . . . A 48 ASP N . 19232 1 126 . 1 1 49 49 LEU H H 1 7.555 0.020 . 1 . . . A 49 LEU H . 19232 1 127 . 1 1 49 49 LEU HG H 1 1.245 0.020 . 1 . . . A 49 LEU HG . 19232 1 128 . 1 1 49 49 LEU HD11 H 1 0.485 0.020 . 2 . . . A 49 LEU HD11 . 19232 1 129 . 1 1 49 49 LEU HD12 H 1 0.485 0.020 . 2 . . . A 49 LEU HD12 . 19232 1 130 . 1 1 49 49 LEU HD13 H 1 0.485 0.020 . 2 . . . A 49 LEU HD13 . 19232 1 131 . 1 1 49 49 LEU HD21 H 1 0.435 0.020 . 2 . . . A 49 LEU HD21 . 19232 1 132 . 1 1 49 49 LEU HD22 H 1 0.435 0.020 . 2 . . . A 49 LEU HD22 . 19232 1 133 . 1 1 49 49 LEU HD23 H 1 0.435 0.020 . 2 . . . A 49 LEU HD23 . 19232 1 134 . 1 1 49 49 LEU CG C 13 23.700 0.300 . 1 . . . A 49 LEU CG . 19232 1 135 . 1 1 49 49 LEU CD1 C 13 21.170 0.300 . 1 . . . A 49 LEU CD1 . 19232 1 136 . 1 1 49 49 LEU CD2 C 13 21.530 0.300 . 1 . . . A 49 LEU CD2 . 19232 1 137 . 1 1 49 49 LEU N N 15 120.300 0.300 . 1 . . . A 49 LEU N . 19232 1 138 . 1 1 50 50 ALA H H 1 7.705 0.020 . 1 . . . A 50 ALA H . 19232 1 139 . 1 1 50 50 ALA N N 15 118.800 0.300 . 1 . . . A 50 ALA N . 19232 1 140 . 1 1 51 51 ASN H H 1 7.805 0.020 . 1 . . . A 51 ASN H . 19232 1 141 . 1 1 51 51 ASN N N 15 115.900 0.300 . 1 . . . A 51 ASN N . 19232 1 142 . 1 1 52 52 VAL H H 1 7.855 0.020 . 1 . . . A 52 VAL H . 19232 1 143 . 1 1 52 52 VAL HB H 1 2.260 0.020 . 1 . . . A 52 VAL HB . 19232 1 144 . 1 1 52 52 VAL HG11 H 1 0.960 0.020 . 2 . . . A 52 VAL HG11 . 19232 1 145 . 1 1 52 52 VAL HG12 H 1 0.960 0.020 . 2 . . . A 52 VAL HG12 . 19232 1 146 . 1 1 52 52 VAL HG13 H 1 0.960 0.020 . 2 . . . A 52 VAL HG13 . 19232 1 147 . 1 1 52 52 VAL HG21 H 1 1.003 0.020 . 2 . . . A 52 VAL HG21 . 19232 1 148 . 1 1 52 52 VAL HG22 H 1 1.003 0.020 . 2 . . . A 52 VAL HG22 . 19232 1 149 . 1 1 52 52 VAL HG23 H 1 1.003 0.020 . 2 . . . A 52 VAL HG23 . 19232 1 150 . 1 1 52 52 VAL CG1 C 13 18.100 0.300 . 1 . . . A 52 VAL CG1 . 19232 1 151 . 1 1 52 52 VAL CG2 C 13 17.700 0.300 . 1 . . . A 52 VAL CG2 . 19232 1 152 . 1 1 52 52 VAL N N 15 116.000 0.300 . 1 . . . A 52 VAL N . 19232 1 153 . 1 1 53 53 LEU H H 1 6.925 0.020 . 1 . . . A 53 LEU H . 19232 1 154 . 1 1 53 53 LEU HG H 1 1.170 0.020 . 1 . . . A 53 LEU HG . 19232 1 155 . 1 1 53 53 LEU HD11 H 1 -0.422 0.300 . 2 . . . A 53 LEU HD11 . 19232 1 156 . 1 1 53 53 LEU HD12 H 1 -0.422 0.300 . 2 . . . A 53 LEU HD12 . 19232 1 157 . 1 1 53 53 LEU HD13 H 1 -0.422 0.300 . 2 . . . A 53 LEU HD13 . 19232 1 158 . 1 1 53 53 LEU HD21 H 1 0.145 0.020 . 2 . . . A 53 LEU HD21 . 19232 1 159 . 1 1 53 53 LEU HD22 H 1 0.145 0.020 . 2 . . . A 53 LEU HD22 . 19232 1 160 . 1 1 53 53 LEU HD23 H 1 0.145 0.020 . 2 . . . A 53 LEU HD23 . 19232 1 161 . 1 1 53 53 LEU CG C 13 23.200 0.300 . 1 . . . A 53 LEU CG . 19232 1 162 . 1 1 53 53 LEU CD1 C 13 18.280 0.300 . 1 . . . A 53 LEU CD1 . 19232 1 163 . 1 1 53 53 LEU CD2 C 13 22.310 0.300 . 1 . . . A 53 LEU CD2 . 19232 1 164 . 1 1 53 53 LEU N N 15 116.700 0.300 . 1 . . . A 53 LEU N . 19232 1 165 . 1 1 54 54 LYS H H 1 7.120 0.020 . 1 . . . A 54 LYS H . 19232 1 166 . 1 1 54 54 LYS N N 15 122.400 0.300 . 1 . . . A 54 LYS N . 19232 1 167 . 1 1 56 56 PHE H H 1 8.285 0.020 . 1 . . . A 56 PHE H . 19232 1 168 . 1 1 56 56 PHE N N 15 113.000 0.300 . 1 . . . A 56 PHE N . 19232 1 169 . 1 1 57 57 ALA H H 1 8.155 0.020 . 1 . . . A 57 ALA H . 19232 1 170 . 1 1 57 57 ALA N N 15 119.300 0.300 . 1 . . . A 57 ALA N . 19232 1 171 . 1 1 58 58 GLU H H 1 8.130 0.020 . 1 . . . A 58 GLU H . 19232 1 172 . 1 1 58 58 GLU N N 15 119.300 0.300 . 1 . . . A 58 GLU N . 19232 1 173 . 1 1 59 59 VAL H H 1 7.800 0.020 . 1 . . . A 59 VAL H . 19232 1 174 . 1 1 59 59 VAL HB H 1 1.645 0.020 . 1 . . . A 59 VAL HB . 19232 1 175 . 1 1 59 59 VAL HG11 H 1 0.565 0.020 . 2 . . . A 59 VAL HG11 . 19232 1 176 . 1 1 59 59 VAL HG12 H 1 0.565 0.020 . 2 . . . A 59 VAL HG12 . 19232 1 177 . 1 1 59 59 VAL HG13 H 1 0.565 0.020 . 2 . . . A 59 VAL HG13 . 19232 1 178 . 1 1 59 59 VAL HG21 H 1 0.480 0.020 . 2 . . . A 59 VAL HG21 . 19232 1 179 . 1 1 59 59 VAL HG22 H 1 0.480 0.020 . 2 . . . A 59 VAL HG22 . 19232 1 180 . 1 1 59 59 VAL HG23 H 1 0.480 0.020 . 2 . . . A 59 VAL HG23 . 19232 1 181 . 1 1 59 59 VAL CG1 C 13 19.440 0.300 . 1 . . . A 59 VAL CG1 . 19232 1 182 . 1 1 59 59 VAL CG2 C 13 19.010 0.300 . 1 . . . A 59 VAL CG2 . 19232 1 183 . 1 1 59 59 VAL N N 15 124.200 0.300 . 1 . . . A 59 VAL N . 19232 1 184 . 1 1 60 60 GLN H H 1 8.720 0.020 . 1 . . . A 60 GLN H . 19232 1 185 . 1 1 60 60 GLN N N 15 130.300 0.300 . 1 . . . A 60 GLN N . 19232 1 186 . 1 1 61 61 SER H H 1 7.560 0.020 . 1 . . . A 61 SER H . 19232 1 187 . 1 1 61 61 SER N N 15 111.000 0.300 . 1 . . . A 61 SER N . 19232 1 188 . 1 1 62 62 VAL H H 1 8.310 0.020 . 1 . . . A 62 VAL H . 19232 1 189 . 1 1 62 62 VAL HB H 1 1.730 0.020 . 1 . . . A 62 VAL HB . 19232 1 190 . 1 1 62 62 VAL HG11 H 1 0.635 0.020 . 2 . . . A 62 VAL HG11 . 19232 1 191 . 1 1 62 62 VAL HG12 H 1 0.635 0.020 . 2 . . . A 62 VAL HG12 . 19232 1 192 . 1 1 62 62 VAL HG13 H 1 0.635 0.020 . 2 . . . A 62 VAL HG13 . 19232 1 193 . 1 1 62 62 VAL HG21 H 1 0.670 0.020 . 2 . . . A 62 VAL HG21 . 19232 1 194 . 1 1 62 62 VAL HG22 H 1 0.670 0.020 . 2 . . . A 62 VAL HG22 . 19232 1 195 . 1 1 62 62 VAL HG23 H 1 0.670 0.020 . 2 . . . A 62 VAL HG23 . 19232 1 196 . 1 1 62 62 VAL CG1 C 13 18.500 0.300 . 1 . . . A 62 VAL CG1 . 19232 1 197 . 1 1 62 62 VAL CG2 C 13 18.270 0.300 . 1 . . . A 62 VAL CG2 . 19232 1 198 . 1 1 62 62 VAL N N 15 121.900 0.300 . 1 . . . A 62 VAL N . 19232 1 199 . 1 1 63 63 ILE H H 1 8.735 0.020 . 1 . . . A 63 ILE H . 19232 1 200 . 1 1 63 63 ILE HG12 H 1 0.985 0.020 . 1 . . . A 63 ILE HG12 . 19232 1 201 . 1 1 63 63 ILE HG13 H 1 0.985 0.020 . 1 . . . A 63 ILE HG13 . 19232 1 202 . 1 1 63 63 ILE HD11 H 1 0.705 0.020 . 1 . . . A 63 ILE HD11 . 19232 1 203 . 1 1 63 63 ILE HD12 H 1 0.705 0.020 . 1 . . . A 63 ILE HD12 . 19232 1 204 . 1 1 63 63 ILE HD13 H 1 0.705 0.020 . 1 . . . A 63 ILE HD13 . 19232 1 205 . 1 1 63 63 ILE CG1 C 13 22.990 0.300 . 1 . . . A 63 ILE CG1 . 19232 1 206 . 1 1 63 63 ILE CD1 C 13 9.470 0.300 . 1 . . . A 63 ILE CD1 . 19232 1 207 . 1 1 63 63 ILE N N 15 127.700 0.300 . 1 . . . A 63 ILE N . 19232 1 208 . 1 1 64 64 LEU H H 1 9.160 0.020 . 1 . . . A 64 LEU H . 19232 1 209 . 1 1 64 64 LEU HG H 1 1.210 0.020 . 1 . . . A 64 LEU HG . 19232 1 210 . 1 1 64 64 LEU HD11 H 1 0.620 0.020 . 2 . . . A 64 LEU HD11 . 19232 1 211 . 1 1 64 64 LEU HD12 H 1 0.620 0.020 . 2 . . . A 64 LEU HD12 . 19232 1 212 . 1 1 64 64 LEU HD13 H 1 0.620 0.020 . 2 . . . A 64 LEU HD13 . 19232 1 213 . 1 1 64 64 LEU HD21 H 1 0.545 0.020 . 2 . . . A 64 LEU HD21 . 19232 1 214 . 1 1 64 64 LEU HD22 H 1 0.545 0.020 . 2 . . . A 64 LEU HD22 . 19232 1 215 . 1 1 64 64 LEU HD23 H 1 0.545 0.020 . 2 . . . A 64 LEU HD23 . 19232 1 216 . 1 1 64 64 LEU CG C 13 24.070 0.300 . 1 . . . A 64 LEU CG . 19232 1 217 . 1 1 64 64 LEU CD1 C 13 22.120 0.300 . 1 . . . A 64 LEU CD1 . 19232 1 218 . 1 1 64 64 LEU CD2 C 13 20.560 0.300 . 1 . . . A 64 LEU CD2 . 19232 1 219 . 1 1 64 64 LEU N N 15 130.400 0.300 . 1 . . . A 64 LEU N . 19232 1 220 . 1 1 69 69 LYS H H 1 7.665 0.020 . 1 . . . A 69 LYS H . 19232 1 221 . 1 1 69 69 LYS N N 15 116.400 0.300 . 1 . . . A 69 LYS N . 19232 1 222 . 1 1 70 70 HIS H H 1 7.510 0.020 . 1 . . . A 70 HIS H . 19232 1 223 . 1 1 70 70 HIS N N 15 113.800 0.300 . 1 . . . A 70 HIS N . 19232 1 224 . 1 1 71 71 ALA H H 1 8.745 0.020 . 1 . . . A 71 ALA H . 19232 1 225 . 1 1 71 71 ALA N N 15 120.500 0.300 . 1 . . . A 71 ALA N . 19232 1 226 . 1 1 72 72 PHE H H 1 8.685 0.020 . 1 . . . A 72 PHE H . 19232 1 227 . 1 1 72 72 PHE N N 15 118.100 0.300 . 1 . . . A 72 PHE N . 19232 1 228 . 1 1 73 73 VAL H H 1 9.425 0.020 . 1 . . . A 73 VAL H . 19232 1 229 . 1 1 73 73 VAL HB H 1 1.650 0.020 . 1 . . . A 73 VAL HB . 19232 1 230 . 1 1 73 73 VAL HG11 H 1 0.560 0.020 . 2 . . . A 73 VAL HG11 . 19232 1 231 . 1 1 73 73 VAL HG12 H 1 0.560 0.020 . 2 . . . A 73 VAL HG12 . 19232 1 232 . 1 1 73 73 VAL HG13 H 1 0.560 0.020 . 2 . . . A 73 VAL HG13 . 19232 1 233 . 1 1 73 73 VAL HG21 H 1 0.550 0.020 . 2 . . . A 73 VAL HG21 . 19232 1 234 . 1 1 73 73 VAL HG22 H 1 0.550 0.020 . 2 . . . A 73 VAL HG22 . 19232 1 235 . 1 1 73 73 VAL HG23 H 1 0.550 0.020 . 2 . . . A 73 VAL HG23 . 19232 1 236 . 1 1 73 73 VAL CG1 C 13 18.400 0.300 . 1 . . . A 73 VAL CG1 . 19232 1 237 . 1 1 73 73 VAL CG2 C 13 18.200 0.300 . 1 . . . A 73 VAL CG2 . 19232 1 238 . 1 1 73 73 VAL N N 15 125.900 0.300 . 1 . . . A 73 VAL N . 19232 1 239 . 1 1 74 74 LYS H H 1 8.725 0.020 . 1 . . . A 74 LYS H . 19232 1 240 . 1 1 74 74 LYS N N 15 129.700 0.300 . 1 . . . A 74 LYS N . 19232 1 241 . 1 1 75 75 VAL H H 1 8.385 0.020 . 1 . . . A 75 VAL H . 19232 1 242 . 1 1 75 75 VAL HB H 1 2.170 0.020 . 1 . . . A 75 VAL HB . 19232 1 243 . 1 1 75 75 VAL HG11 H 1 0.495 0.020 . 2 . . . A 75 VAL HG11 . 19232 1 244 . 1 1 75 75 VAL HG12 H 1 0.495 0.020 . 2 . . . A 75 VAL HG12 . 19232 1 245 . 1 1 75 75 VAL HG13 H 1 0.495 0.020 . 2 . . . A 75 VAL HG13 . 19232 1 246 . 1 1 75 75 VAL HG21 H 1 0.825 0.020 . 2 . . . A 75 VAL HG21 . 19232 1 247 . 1 1 75 75 VAL HG22 H 1 0.825 0.020 . 2 . . . A 75 VAL HG22 . 19232 1 248 . 1 1 75 75 VAL HG23 H 1 0.825 0.020 . 2 . . . A 75 VAL HG23 . 19232 1 249 . 1 1 75 75 VAL CG1 C 13 18.640 0.300 . 1 . . . A 75 VAL CG1 . 19232 1 250 . 1 1 75 75 VAL CG2 C 13 15.850 0.300 . 1 . . . A 75 VAL CG2 . 19232 1 251 . 1 1 75 75 VAL N N 15 118.800 0.300 . 1 . . . A 75 VAL N . 19232 1 252 . 1 1 76 76 TYR H H 1 6.995 0.020 . 1 . . . A 76 TYR H . 19232 1 253 . 1 1 76 76 TYR N N 15 114.800 0.300 . 1 . . . A 76 TYR N . 19232 1 254 . 1 1 77 77 SER H H 1 7.150 0.020 . 1 . . . A 77 SER H . 19232 1 255 . 1 1 77 77 SER N N 15 107.200 0.300 . 1 . . . A 77 SER N . 19232 1 256 . 1 1 78 78 ARG H H 1 9.225 0.020 . 1 . . . A 78 ARG H . 19232 1 257 . 1 1 78 78 ARG N N 15 124.900 0.300 . 1 . . . A 78 ARG N . 19232 1 258 . 1 1 79 79 HIS H H 1 9.105 0.020 . 1 . . . A 79 HIS H . 19232 1 259 . 1 1 79 79 HIS N N 15 119.900 0.300 . 1 . . . A 79 HIS N . 19232 1 260 . 1 1 80 80 GLU H H 1 7.690 0.020 . 1 . . . A 80 GLU H . 19232 1 261 . 1 1 80 80 GLU N N 15 118.200 0.300 . 1 . . . A 80 GLU N . 19232 1 262 . 1 1 81 81 ALA H H 1 7.695 0.020 . 1 . . . A 81 ALA H . 19232 1 263 . 1 1 81 81 ALA N N 15 123.500 0.300 . 1 . . . A 81 ALA N . 19232 1 264 . 1 1 82 82 GLU H H 1 8.450 0.020 . 1 . . . A 82 GLU H . 19232 1 265 . 1 1 82 82 GLU N N 15 116.400 0.300 . 1 . . . A 82 GLU N . 19232 1 266 . 1 1 83 83 ASN H H 1 7.835 0.020 . 1 . . . A 83 ASN H . 19232 1 267 . 1 1 83 83 ASN N N 15 118.500 0.300 . 1 . . . A 83 ASN N . 19232 1 268 . 1 1 84 84 VAL H H 1 7.785 0.020 . 1 . . . A 84 VAL H . 19232 1 269 . 1 1 84 84 VAL HB H 1 2.025 0.020 . 1 . . . A 84 VAL HB . 19232 1 270 . 1 1 84 84 VAL HG11 H 1 0.370 0.020 . 2 . . . A 84 VAL HG11 . 19232 1 271 . 1 1 84 84 VAL HG12 H 1 0.370 0.020 . 2 . . . A 84 VAL HG12 . 19232 1 272 . 1 1 84 84 VAL HG13 H 1 0.370 0.020 . 2 . . . A 84 VAL HG13 . 19232 1 273 . 1 1 84 84 VAL HG21 H 1 0.760 0.020 . 2 . . . A 84 VAL HG21 . 19232 1 274 . 1 1 84 84 VAL HG22 H 1 0.760 0.020 . 2 . . . A 84 VAL HG22 . 19232 1 275 . 1 1 84 84 VAL HG23 H 1 0.760 0.020 . 2 . . . A 84 VAL HG23 . 19232 1 276 . 1 1 84 84 VAL CG1 C 13 18.810 0.300 . 1 . . . A 84 VAL CG1 . 19232 1 277 . 1 1 84 84 VAL CG2 C 13 20.540 0.300 . 1 . . . A 84 VAL CG2 . 19232 1 278 . 1 1 84 84 VAL N N 15 118.300 0.300 . 1 . . . A 84 VAL N . 19232 1 279 . 1 1 85 85 LEU H H 1 7.590 0.020 . 1 . . . A 85 LEU H . 19232 1 280 . 1 1 85 85 LEU HG H 1 0.905 0.020 . 1 . . . A 85 LEU HG . 19232 1 281 . 1 1 85 85 LEU HD11 H 1 0.095 0.020 . 2 . . . A 85 LEU HD11 . 19232 1 282 . 1 1 85 85 LEU HD12 H 1 0.095 0.020 . 2 . . . A 85 LEU HD12 . 19232 1 283 . 1 1 85 85 LEU HD13 H 1 0.095 0.020 . 2 . . . A 85 LEU HD13 . 19232 1 284 . 1 1 85 85 LEU HD21 H 1 -0.395 0.300 . 2 . . . A 85 LEU HD21 . 19232 1 285 . 1 1 85 85 LEU HD22 H 1 -0.395 0.300 . 2 . . . A 85 LEU HD22 . 19232 1 286 . 1 1 85 85 LEU HD23 H 1 -0.395 0.300 . 2 . . . A 85 LEU HD23 . 19232 1 287 . 1 1 85 85 LEU CG C 13 22.900 0.300 . 1 . . . A 85 LEU CG . 19232 1 288 . 1 1 85 85 LEU CD1 C 13 20.110 0.300 . 1 . . . A 85 LEU CD1 . 19232 1 289 . 1 1 85 85 LEU CD2 C 13 20.380 0.300 . 1 . . . A 85 LEU CD2 . 19232 1 290 . 1 1 85 85 LEU N N 15 119.400 0.300 . 1 . . . A 85 LEU N . 19232 1 291 . 1 1 86 86 GLN H H 1 7.985 0.020 . 1 . . . A 86 GLN H . 19232 1 292 . 1 1 86 86 GLN N N 15 113.600 0.300 . 1 . . . A 86 GLN N . 19232 1 293 . 1 1 87 87 ASN H H 1 7.545 0.020 . 1 . . . A 87 ASN H . 19232 1 294 . 1 1 87 87 ASN N N 15 112.000 0.300 . 1 . . . A 87 ASN N . 19232 1 295 . 1 1 88 88 PHE H H 1 8.265 0.020 . 1 . . . A 88 PHE H . 19232 1 296 . 1 1 88 88 PHE N N 15 121.900 0.300 . 1 . . . A 88 PHE N . 19232 1 297 . 1 1 89 89 ASN H H 1 8.515 0.020 . 1 . . . A 89 ASN H . 19232 1 298 . 1 1 89 89 ASN N N 15 126.900 0.300 . 1 . . . A 89 ASN N . 19232 1 299 . 1 1 90 90 LYS H H 1 7.655 0.020 . 1 . . . A 90 LYS H . 19232 1 300 . 1 1 90 90 LYS N N 15 119.900 0.300 . 1 . . . A 90 LYS N . 19232 1 301 . 1 1 91 91 ASP H H 1 8.050 0.020 . 1 . . . A 91 ASP H . 19232 1 302 . 1 1 91 91 ASP N N 15 115.600 0.300 . 1 . . . A 91 ASP N . 19232 1 303 . 1 1 92 92 GLY H H 1 7.425 0.020 . 1 . . . A 92 GLY H . 19232 1 304 . 1 1 92 92 GLY N N 15 108.400 0.300 . 1 . . . A 92 GLY N . 19232 1 305 . 1 1 93 93 ALA H H 1 7.545 0.020 . 1 . . . A 93 ALA H . 19232 1 306 . 1 1 93 93 ALA N N 15 122.000 0.300 . 1 . . . A 93 ALA N . 19232 1 307 . 1 1 94 94 LEU H H 1 8.455 0.020 . 1 . . . A 94 LEU H . 19232 1 308 . 1 1 94 94 LEU HG H 1 1.475 0.020 . 1 . . . A 94 LEU HG . 19232 1 309 . 1 1 94 94 LEU HD11 H 1 0.790 0.020 . 1 . . . A 94 LEU HD11 . 19232 1 310 . 1 1 94 94 LEU HD12 H 1 0.790 0.020 . 1 . . . A 94 LEU HD12 . 19232 1 311 . 1 1 94 94 LEU HD13 H 1 0.790 0.020 . 1 . . . A 94 LEU HD13 . 19232 1 312 . 1 1 94 94 LEU CG C 13 23.370 0.300 . 1 . . . A 94 LEU CG . 19232 1 313 . 1 1 94 94 LEU N N 15 115.600 0.300 . 1 . . . A 94 LEU N . 19232 1 314 . 1 1 96 96 LEU H H 1 5.775 0.020 . 1 . . . A 96 LEU H . 19232 1 315 . 1 1 96 96 LEU HG H 1 1.350 0.020 . 1 . . . A 96 LEU HG . 19232 1 316 . 1 1 96 96 LEU HD11 H 1 0.775 0.020 . 2 . . . A 96 LEU HD11 . 19232 1 317 . 1 1 96 96 LEU HD12 H 1 0.775 0.020 . 2 . . . A 96 LEU HD12 . 19232 1 318 . 1 1 96 96 LEU HD13 H 1 0.775 0.020 . 2 . . . A 96 LEU HD13 . 19232 1 319 . 1 1 96 96 LEU HD21 H 1 0.635 0.020 . 2 . . . A 96 LEU HD21 . 19232 1 320 . 1 1 96 96 LEU HD22 H 1 0.635 0.020 . 2 . . . A 96 LEU HD22 . 19232 1 321 . 1 1 96 96 LEU HD23 H 1 0.635 0.020 . 2 . . . A 96 LEU HD23 . 19232 1 322 . 1 1 96 96 LEU CG C 13 24.240 0.300 . 1 . . . A 96 LEU CG . 19232 1 323 . 1 1 96 96 LEU CD1 C 13 22.340 0.300 . 1 . . . A 96 LEU CD1 . 19232 1 324 . 1 1 96 96 LEU CD2 C 13 20.280 0.300 . 1 . . . A 96 LEU CD2 . 19232 1 325 . 1 1 96 96 LEU N N 15 115.700 0.300 . 1 . . . A 96 LEU N . 19232 1 326 . 1 1 97 97 ARG H H 1 8.290 0.020 . 1 . . . A 97 ARG H . 19232 1 327 . 1 1 97 97 ARG N N 15 123.300 0.300 . 1 . . . A 97 ARG N . 19232 1 328 . 1 1 98 98 THR H H 1 8.280 0.020 . 1 . . . A 98 THR H . 19232 1 329 . 1 1 98 98 THR N N 15 120.000 0.300 . 1 . . . A 98 THR N . 19232 1 330 . 1 1 99 99 ARG H H 1 9.005 0.020 . 1 . . . A 99 ARG H . 19232 1 331 . 1 1 99 99 ARG N N 15 122.300 0.300 . 1 . . . A 99 ARG N . 19232 1 332 . 1 1 100 100 TRP H H 1 8.325 0.020 . 1 . . . A 100 TRP H . 19232 1 333 . 1 1 100 100 TRP HE1 H 1 9.990 0.020 . 1 . . . A 100 TRP HE1 . 19232 1 334 . 1 1 100 100 TRP N N 15 120.100 0.300 . 1 . . . A 100 TRP N . 19232 1 335 . 1 1 100 100 TRP NE1 N 15 129.400 0.300 . 1 . . . A 100 TRP NE1 . 19232 1 336 . 1 1 101 101 GLY H H 1 8.940 0.020 . 1 . . . A 101 GLY H . 19232 1 337 . 1 1 101 101 GLY N N 15 107.300 0.300 . 1 . . . A 101 GLY N . 19232 1 338 . 1 1 102 102 VAL H H 1 8.130 0.020 . 1 . . . A 102 VAL H . 19232 1 339 . 1 1 102 102 VAL HB H 1 1.955 0.020 . 1 . . . A 102 VAL HB . 19232 1 340 . 1 1 102 102 VAL HG11 H 1 0.855 0.020 . 2 . . . A 102 VAL HG11 . 19232 1 341 . 1 1 102 102 VAL HG12 H 1 0.855 0.020 . 2 . . . A 102 VAL HG12 . 19232 1 342 . 1 1 102 102 VAL HG13 H 1 0.855 0.020 . 2 . . . A 102 VAL HG13 . 19232 1 343 . 1 1 102 102 VAL HG21 H 1 0.540 0.020 . 2 . . . A 102 VAL HG21 . 19232 1 344 . 1 1 102 102 VAL HG22 H 1 0.540 0.020 . 2 . . . A 102 VAL HG22 . 19232 1 345 . 1 1 102 102 VAL HG23 H 1 0.540 0.020 . 2 . . . A 102 VAL HG23 . 19232 1 346 . 1 1 102 102 VAL CG1 C 13 19.350 0.300 . 1 . . . A 102 VAL CG1 . 19232 1 347 . 1 1 102 102 VAL CG2 C 13 18.300 0.300 . 1 . . . A 102 VAL CG2 . 19232 1 348 . 1 1 102 102 VAL N N 15 119.800 0.300 . 1 . . . A 102 VAL N . 19232 1 349 . 1 1 103 103 GLY H H 1 9.440 0.020 . 1 . . . A 103 GLY H . 19232 1 350 . 1 1 103 103 GLY N N 15 117.200 0.300 . 1 . . . A 103 GLY N . 19232 1 351 . 1 1 104 104 PHE H H 1 7.280 0.020 . 1 . . . A 104 PHE H . 19232 1 352 . 1 1 104 104 PHE N N 15 120.600 0.300 . 1 . . . A 104 PHE N . 19232 1 353 . 1 1 105 105 GLY H H 1 8.565 0.020 . 1 . . . A 105 GLY H . 19232 1 354 . 1 1 105 105 GLY N N 15 117.100 0.300 . 1 . . . A 105 GLY N . 19232 1 355 . 1 1 109 109 CYS H H 1 6.915 0.020 . 1 . . . A 109 CYS H . 19232 1 356 . 1 1 109 109 CYS N N 15 115.300 0.300 . 1 . . . A 109 CYS N . 19232 1 357 . 1 1 110 110 CYS H H 1 7.130 0.020 . 1 . . . A 110 CYS H . 19232 1 358 . 1 1 110 110 CYS N N 15 119.000 0.300 . 1 . . . A 110 CYS N . 19232 1 359 . 1 1 111 111 ASP H H 1 8.245 0.020 . 1 . . . A 111 ASP H . 19232 1 360 . 1 1 111 111 ASP N N 15 128.800 0.300 . 1 . . . A 111 ASP N . 19232 1 361 . 1 1 112 112 TYR H H 1 8.425 0.020 . 1 . . . A 112 TYR H . 19232 1 362 . 1 1 112 112 TYR N N 15 124.400 0.300 . 1 . . . A 112 TYR N . 19232 1 363 . 1 1 113 113 GLN H H 1 8.065 0.020 . 1 . . . A 113 GLN H . 19232 1 364 . 1 1 113 113 GLN N N 15 117.900 0.300 . 1 . . . A 113 GLN N . 19232 1 365 . 1 1 114 114 HIS H H 1 6.925 0.020 . 1 . . . A 114 HIS H . 19232 1 366 . 1 1 114 114 HIS N N 15 114.200 0.300 . 1 . . . A 114 HIS N . 19232 1 367 . 1 1 115 115 GLY H H 1 8.430 0.020 . 1 . . . A 115 GLY H . 19232 1 368 . 1 1 115 115 GLY N N 15 109.200 0.300 . 1 . . . A 115 GLY N . 19232 1 369 . 1 1 116 116 TYR H H 1 6.695 0.020 . 1 . . . A 116 TYR H . 19232 1 370 . 1 1 116 116 TYR N N 15 115.800 0.300 . 1 . . . A 116 TYR N . 19232 1 371 . 1 1 117 117 SER H H 1 8.745 0.020 . 1 . . . A 117 SER H . 19232 1 372 . 1 1 117 117 SER N N 15 116.200 0.300 . 1 . . . A 117 SER N . 19232 1 373 . 1 1 118 118 ILE H H 1 7.560 0.020 . 1 . . . A 118 ILE H . 19232 1 374 . 1 1 118 118 ILE N N 15 126.500 0.300 . 1 . . . A 118 ILE N . 19232 1 375 . 1 1 121 121 MET H H 1 8.885 0.020 . 1 . . . A 121 MET H . 19232 1 376 . 1 1 121 121 MET N N 15 124.000 0.300 . 1 . . . A 121 MET N . 19232 1 377 . 1 1 122 122 HIS H H 1 7.855 0.020 . 1 . . . A 122 HIS H . 19232 1 378 . 1 1 122 122 HIS N N 15 113.700 0.300 . 1 . . . A 122 HIS N . 19232 1 379 . 1 1 123 123 ARG H H 1 7.320 0.020 . 1 . . . A 123 ARG H . 19232 1 380 . 1 1 123 123 ARG N N 15 117.500 0.300 . 1 . . . A 123 ARG N . 19232 1 381 . 1 1 124 124 LEU H H 1 7.120 0.020 . 1 . . . A 124 LEU H . 19232 1 382 . 1 1 124 124 LEU HG H 1 1.500 0.020 . 1 . . . A 124 LEU HG . 19232 1 383 . 1 1 124 124 LEU HD11 H 1 0.610 0.020 . 2 . . . A 124 LEU HD11 . 19232 1 384 . 1 1 124 124 LEU HD12 H 1 0.610 0.020 . 2 . . . A 124 LEU HD12 . 19232 1 385 . 1 1 124 124 LEU HD13 H 1 0.610 0.020 . 2 . . . A 124 LEU HD13 . 19232 1 386 . 1 1 124 124 LEU HD21 H 1 0.782 0.020 . 2 . . . A 124 LEU HD21 . 19232 1 387 . 1 1 124 124 LEU HD22 H 1 0.782 0.020 . 2 . . . A 124 LEU HD22 . 19232 1 388 . 1 1 124 124 LEU HD23 H 1 0.782 0.020 . 2 . . . A 124 LEU HD23 . 19232 1 389 . 1 1 124 124 LEU CG C 13 22.870 0.300 . 1 . . . A 124 LEU CG . 19232 1 390 . 1 1 124 124 LEU CD1 C 13 19.610 0.300 . 1 . . . A 124 LEU CD1 . 19232 1 391 . 1 1 124 124 LEU CD2 C 13 23.140 0.300 . 1 . . . A 124 LEU CD2 . 19232 1 392 . 1 1 124 124 LEU N N 15 119.300 0.300 . 1 . . . A 124 LEU N . 19232 1 393 . 1 1 125 125 THR H H 1 9.485 0.020 . 1 . . . A 125 THR H . 19232 1 394 . 1 1 125 125 THR N N 15 116.000 0.300 . 1 . . . A 125 THR N . 19232 1 395 . 1 1 126 126 ASP H H 1 8.750 0.020 . 1 . . . A 126 ASP H . 19232 1 396 . 1 1 126 126 ASP N N 15 121.700 0.300 . 1 . . . A 126 ASP N . 19232 1 397 . 1 1 127 127 ALA H H 1 8.105 0.020 . 1 . . . A 127 ALA H . 19232 1 398 . 1 1 127 127 ALA N N 15 123.300 0.300 . 1 . . . A 127 ALA N . 19232 1 399 . 1 1 128 128 ASP H H 1 7.675 0.020 . 1 . . . A 128 ASP H . 19232 1 400 . 1 1 128 128 ASP N N 15 118.700 0.300 . 1 . . . A 128 ASP N . 19232 1 401 . 1 1 129 129 LYS H H 1 7.985 0.020 . 1 . . . A 129 LYS H . 19232 1 402 . 1 1 129 129 LYS N N 15 120.100 0.300 . 1 . . . A 129 LYS N . 19232 1 403 . 1 1 130 130 LYS H H 1 7.705 0.020 . 1 . . . A 130 LYS H . 19232 1 404 . 1 1 130 130 LYS N N 15 121.500 0.300 . 1 . . . A 130 LYS N . 19232 1 405 . 1 1 131 131 TRP H H 1 8.905 0.020 . 1 . . . A 131 TRP H . 19232 1 406 . 1 1 131 131 TRP HE1 H 1 10.090 0.300 . 1 . . . A 131 TRP HE1 . 19232 1 407 . 1 1 131 131 TRP N N 15 122.200 0.300 . 1 . . . A 131 TRP N . 19232 1 408 . 1 1 131 131 TRP NE1 N 15 128.200 0.300 . 1 . . . A 131 TRP NE1 . 19232 1 409 . 1 1 132 132 SER H H 1 7.880 0.020 . 1 . . . A 132 SER H . 19232 1 410 . 1 1 132 132 SER N N 15 111.800 0.300 . 1 . . . A 132 SER N . 19232 1 411 . 1 1 133 133 VAL H H 1 6.685 0.020 . 1 . . . A 133 VAL H . 19232 1 412 . 1 1 133 133 VAL HB H 1 1.755 0.020 . 1 . . . A 133 VAL HB . 19232 1 413 . 1 1 133 133 VAL HG11 H 1 0.805 0.020 . 2 . . . A 133 VAL HG11 . 19232 1 414 . 1 1 133 133 VAL HG12 H 1 0.805 0.020 . 2 . . . A 133 VAL HG12 . 19232 1 415 . 1 1 133 133 VAL HG13 H 1 0.805 0.020 . 2 . . . A 133 VAL HG13 . 19232 1 416 . 1 1 133 133 VAL HG21 H 1 0.615 0.020 . 2 . . . A 133 VAL HG21 . 19232 1 417 . 1 1 133 133 VAL HG22 H 1 0.615 0.020 . 2 . . . A 133 VAL HG22 . 19232 1 418 . 1 1 133 133 VAL HG23 H 1 0.615 0.020 . 2 . . . A 133 VAL HG23 . 19232 1 419 . 1 1 133 133 VAL CG1 C 13 16.520 0.300 . 1 . . . A 133 VAL CG1 . 19232 1 420 . 1 1 133 133 VAL CG2 C 13 17.720 0.300 . 1 . . . A 133 VAL CG2 . 19232 1 421 . 1 1 133 133 VAL N N 15 110.900 0.300 . 1 . . . A 133 VAL N . 19232 1 422 . 1 1 134 134 SER H H 1 7.495 0.020 . 1 . . . A 134 SER H . 19232 1 423 . 1 1 134 134 SER N N 15 112.900 0.300 . 1 . . . A 134 SER N . 19232 1 424 . 1 1 135 135 ALA H H 1 7.735 0.020 . 1 . . . A 135 ALA H . 19232 1 425 . 1 1 135 135 ALA N N 15 125.800 0.300 . 1 . . . A 135 ALA N . 19232 1 426 . 1 1 136 136 GLN H H 1 8.825 0.020 . 1 . . . A 136 GLN H . 19232 1 427 . 1 1 136 136 GLN N N 15 118.500 0.300 . 1 . . . A 136 GLN N . 19232 1 428 . 1 1 137 137 TRP H H 1 8.385 0.020 . 1 . . . A 137 TRP H . 19232 1 429 . 1 1 137 137 TRP HE1 H 1 9.845 0.020 . 1 . . . A 137 TRP HE1 . 19232 1 430 . 1 1 137 137 TRP N N 15 120.200 0.300 . 1 . . . A 137 TRP N . 19232 1 431 . 1 1 137 137 TRP NE1 N 15 128.900 0.300 . 1 . . . A 137 TRP NE1 . 19232 1 432 . 1 1 138 138 GLY H H 1 8.400 0.020 . 1 . . . A 138 GLY H . 19232 1 433 . 1 1 138 138 GLY N N 15 107.300 0.300 . 1 . . . A 138 GLY N . 19232 1 434 . 1 1 139 139 GLY H H 1 8.400 0.020 . 1 . . . A 139 GLY H . 19232 1 435 . 1 1 139 139 GLY N N 15 101.600 0.300 . 1 . . . A 139 GLY N . 19232 1 436 . 1 1 140 140 THR H H 1 8.495 0.020 . 1 . . . A 140 THR H . 19232 1 437 . 1 1 140 140 THR N N 15 107.900 0.300 . 1 . . . A 140 THR N . 19232 1 438 . 1 1 141 141 SER H H 1 9.350 0.020 . 1 . . . A 141 SER H . 19232 1 439 . 1 1 141 141 SER N N 15 120.200 0.300 . 1 . . . A 141 SER N . 19232 1 440 . 1 1 142 142 GLY H H 1 7.880 0.020 . 1 . . . A 142 GLY H . 19232 1 441 . 1 1 142 142 GLY N N 15 105.800 0.300 . 1 . . . A 142 GLY N . 19232 1 442 . 1 1 143 143 GLN H H 1 7.350 0.020 . 1 . . . A 143 GLN H . 19232 1 443 . 1 1 143 143 GLN N N 15 123.100 0.300 . 1 . . . A 143 GLN N . 19232 1 444 . 1 1 145 145 LEU H H 1 8.130 0.020 . 1 . . . A 145 LEU H . 19232 1 445 . 1 1 145 145 LEU HG H 1 1.540 0.020 . 1 . . . A 145 LEU HG . 19232 1 446 . 1 1 145 145 LEU HD11 H 1 0.680 0.020 . 2 . . . A 145 LEU HD11 . 19232 1 447 . 1 1 145 145 LEU HD12 H 1 0.680 0.020 . 2 . . . A 145 LEU HD12 . 19232 1 448 . 1 1 145 145 LEU HD13 H 1 0.680 0.020 . 2 . . . A 145 LEU HD13 . 19232 1 449 . 1 1 145 145 LEU HD21 H 1 0.845 0.020 . 2 . . . A 145 LEU HD21 . 19232 1 450 . 1 1 145 145 LEU HD22 H 1 0.845 0.020 . 2 . . . A 145 LEU HD22 . 19232 1 451 . 1 1 145 145 LEU HD23 H 1 0.845 0.020 . 2 . . . A 145 LEU HD23 . 19232 1 452 . 1 1 145 145 LEU CG C 13 23.320 0.300 . 1 . . . A 145 LEU CG . 19232 1 453 . 1 1 145 145 LEU CD1 C 13 21.000 0.300 . 1 . . . A 145 LEU CD1 . 19232 1 454 . 1 1 145 145 LEU CD2 C 13 22.250 0.300 . 1 . . . A 145 LEU CD2 . 19232 1 455 . 1 1 145 145 LEU N N 15 118.500 0.300 . 1 . . . A 145 LEU N . 19232 1 456 . 1 1 146 146 VAL H H 1 6.550 0.020 . 1 . . . A 146 VAL H . 19232 1 457 . 1 1 146 146 VAL HB H 1 2.170 0.020 . 1 . . . A 146 VAL HB . 19232 1 458 . 1 1 146 146 VAL HG11 H 1 0.795 0.020 . 2 . . . A 146 VAL HG11 . 19232 1 459 . 1 1 146 146 VAL HG12 H 1 0.795 0.020 . 2 . . . A 146 VAL HG12 . 19232 1 460 . 1 1 146 146 VAL HG13 H 1 0.795 0.020 . 2 . . . A 146 VAL HG13 . 19232 1 461 . 1 1 146 146 VAL HG21 H 1 0.900 0.020 . 2 . . . A 146 VAL HG21 . 19232 1 462 . 1 1 146 146 VAL HG22 H 1 0.900 0.020 . 2 . . . A 146 VAL HG22 . 19232 1 463 . 1 1 146 146 VAL HG23 H 1 0.900 0.020 . 2 . . . A 146 VAL HG23 . 19232 1 464 . 1 1 146 146 VAL CG1 C 13 17.950 0.300 . 1 . . . A 146 VAL CG1 . 19232 1 465 . 1 1 146 146 VAL CG2 C 13 15.260 0.300 . 1 . . . A 146 VAL CG2 . 19232 1 466 . 1 1 146 146 VAL N N 15 116.600 0.300 . 1 . . . A 146 VAL N . 19232 1 467 . 1 1 147 147 THR H H 1 8.355 0.020 . 1 . . . A 147 THR H . 19232 1 468 . 1 1 147 147 THR N N 15 117.400 0.300 . 1 . . . A 147 THR N . 19232 1 469 . 1 1 148 148 GLY H H 1 8.970 0.020 . 1 . . . A 148 GLY H . 19232 1 470 . 1 1 148 148 GLY N N 15 113.700 0.300 . 1 . . . A 148 GLY N . 19232 1 471 . 1 1 149 149 ILE H H 1 7.865 0.020 . 1 . . . A 149 ILE H . 19232 1 472 . 1 1 149 149 ILE HG12 H 1 1.100 0.020 . 1 . . . A 149 ILE HG12 . 19232 1 473 . 1 1 149 149 ILE HG13 H 1 1.100 0.020 . 1 . . . A 149 ILE HG13 . 19232 1 474 . 1 1 149 149 ILE HD11 H 1 0.770 0.020 . 1 . . . A 149 ILE HD11 . 19232 1 475 . 1 1 149 149 ILE HD12 H 1 0.770 0.020 . 1 . . . A 149 ILE HD12 . 19232 1 476 . 1 1 149 149 ILE HD13 H 1 0.770 0.020 . 1 . . . A 149 ILE HD13 . 19232 1 477 . 1 1 149 149 ILE CG1 C 13 21.770 0.300 . 1 . . . A 149 ILE CG1 . 19232 1 478 . 1 1 149 149 ILE CD1 C 13 11.790 0.300 . 1 . . . A 149 ILE CD1 . 19232 1 479 . 1 1 149 149 ILE N N 15 121.700 0.300 . 1 . . . A 149 ILE N . 19232 1 480 . 1 1 150 150 VAL H H 1 8.120 0.020 . 1 . . . A 150 VAL H . 19232 1 481 . 1 1 150 150 VAL HB H 1 1.790 0.020 . 1 . . . A 150 VAL HB . 19232 1 482 . 1 1 150 150 VAL HG11 H 1 0.715 0.020 . 2 . . . A 150 VAL HG11 . 19232 1 483 . 1 1 150 150 VAL HG12 H 1 0.715 0.020 . 2 . . . A 150 VAL HG12 . 19232 1 484 . 1 1 150 150 VAL HG13 H 1 0.715 0.020 . 2 . . . A 150 VAL HG13 . 19232 1 485 . 1 1 150 150 VAL HG21 H 1 0.505 0.020 . 2 . . . A 150 VAL HG21 . 19232 1 486 . 1 1 150 150 VAL HG22 H 1 0.505 0.020 . 2 . . . A 150 VAL HG22 . 19232 1 487 . 1 1 150 150 VAL HG23 H 1 0.505 0.020 . 2 . . . A 150 VAL HG23 . 19232 1 488 . 1 1 150 150 VAL CG1 C 13 17.770 0.300 . 1 . . . A 150 VAL CG1 . 19232 1 489 . 1 1 150 150 VAL CG2 C 13 18.670 0.300 . 1 . . . A 150 VAL CG2 . 19232 1 490 . 1 1 150 150 VAL N N 15 125.800 0.300 . 1 . . . A 150 VAL N . 19232 1 491 . 1 1 151 151 PHE H H 1 7.965 0.020 . 1 . . . A 151 PHE H . 19232 1 492 . 1 1 151 151 PHE N N 15 118.300 0.300 . 1 . . . A 151 PHE N . 19232 1 493 . 1 1 152 152 GLU H H 1 9.530 0.020 . 1 . . . A 152 GLU H . 19232 1 494 . 1 1 152 152 GLU N N 15 118.100 0.300 . 1 . . . A 152 GLU N . 19232 1 495 . 1 1 156 156 ILE HG12 H 1 0.776 0.020 . 1 . . . A 156 ILE HG12 . 19232 1 496 . 1 1 156 156 ILE HG13 H 1 0.776 0.020 . 1 . . . A 156 ILE HG13 . 19232 1 497 . 1 1 156 156 ILE HD11 H 1 0.723 0.020 . 1 . . . A 156 ILE HD11 . 19232 1 498 . 1 1 156 156 ILE HD12 H 1 0.723 0.020 . 1 . . . A 156 ILE HD12 . 19232 1 499 . 1 1 156 156 ILE HD13 H 1 0.723 0.020 . 1 . . . A 156 ILE HD13 . 19232 1 500 . 1 1 156 156 ILE CG1 C 13 22.346 0.300 . 1 . . . A 156 ILE CG1 . 19232 1 501 . 1 1 156 156 ILE CD1 C 13 10.456 0.300 . 1 . . . A 156 ILE CD1 . 19232 1 502 . 1 1 157 157 ILE HG12 H 1 0.795 0.020 . 1 . . . A 157 ILE HG12 . 19232 1 503 . 1 1 157 157 ILE HG13 H 1 0.795 0.020 . 1 . . . A 157 ILE HG13 . 19232 1 504 . 1 1 157 157 ILE HD11 H 1 0.685 0.020 . 1 . . . A 157 ILE HD11 . 19232 1 505 . 1 1 157 157 ILE HD12 H 1 0.685 0.020 . 1 . . . A 157 ILE HD12 . 19232 1 506 . 1 1 157 157 ILE HD13 H 1 0.685 0.020 . 1 . . . A 157 ILE HD13 . 19232 1 507 . 1 1 157 157 ILE CG1 C 13 22.880 0.300 . 1 . . . A 157 ILE CG1 . 19232 1 508 . 1 1 157 157 ILE CD1 C 13 8.830 0.300 . 1 . . . A 157 ILE CD1 . 19232 1 509 . 1 1 158 158 VAL H H 1 8.200 0.020 . 1 . . . A 158 VAL H . 19232 1 510 . 1 1 158 158 VAL HB H 1 1.915 0.020 . 1 . . . A 158 VAL HB . 19232 1 511 . 1 1 158 158 VAL HG11 H 1 0.820 0.020 . 2 . . . A 158 VAL HG11 . 19232 1 512 . 1 1 158 158 VAL HG12 H 1 0.820 0.020 . 2 . . . A 158 VAL HG12 . 19232 1 513 . 1 1 158 158 VAL HG13 H 1 0.820 0.020 . 2 . . . A 158 VAL HG13 . 19232 1 514 . 1 1 158 158 VAL HG21 H 1 0.805 0.020 . 2 . . . A 158 VAL HG21 . 19232 1 515 . 1 1 158 158 VAL HG22 H 1 0.805 0.020 . 2 . . . A 158 VAL HG22 . 19232 1 516 . 1 1 158 158 VAL HG23 H 1 0.805 0.020 . 2 . . . A 158 VAL HG23 . 19232 1 517 . 1 1 158 158 VAL CG1 C 13 17.620 0.300 . 1 . . . A 158 VAL CG1 . 19232 1 518 . 1 1 158 158 VAL CG2 C 13 17.020 0.300 . 1 . . . A 158 VAL CG2 . 19232 1 519 . 1 1 158 158 VAL N N 15 126.000 0.300 . 1 . . . A 158 VAL N . 19232 1 520 . 1 1 159 159 GLY H H 1 8.440 0.020 . 1 . . . A 159 GLY H . 19232 1 521 . 1 1 159 159 GLY N N 15 113.000 0.300 . 1 . . . A 159 GLY N . 19232 1 522 . 1 1 160 160 GLU H H 1 8.270 0.020 . 1 . . . A 160 GLU H . 19232 1 523 . 1 1 160 160 GLU N N 15 120.700 0.300 . 1 . . . A 160 GLU N . 19232 1 524 . 1 1 162 162 VAL H H 1 7.960 0.020 . 1 . . . A 162 VAL H . 19232 1 525 . 1 1 162 162 VAL N N 15 120.000 0.300 . 1 . . . A 162 VAL N . 19232 1 stop_ save_