data_7246 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7246 _Entry.Title ; Backbone assignments of the RUNT domain of the mouse PEBP2alpha protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-26 _Entry.Accession_date 2006-07-26 _Entry.Last_release_date 2006-08-16 _Entry.Original_release_date 2006-08-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; PEBP2alpha-A also known as: CBFA1, AML3, RUNX2 or OSF-2 ; _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 Gabriela Perez-Alvarado . C. . 7246 2 Audrey Munnerlyn . . . 7246 3 H. Dyson . Jane . 7246 4 Rudolf Grosschedl . . . 7246 5 Peter Wright . E. . 7246 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7246 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 96 7246 '15N chemical shifts' 94 7246 '1H chemical shifts' 94 7246 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 . . 2006-08-16 2006-07-26 original author . 7246 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7246 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10734220 _Citation.Full_citation ; Perez-Alvarado, G.C., Munnerlyn, A., Dyson, H.J., Grosschedl, R. and Wright, P.E. (2000) Identification of the regions involved in DNA binding by the mouse PEBP2alpha protein, FEBS Lett. 470, 125-130. ; _Citation.Title 'Identification of the regions involved in DNA binding by the mouse PEBP2alpha protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 470 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 125 _Citation.Page_last 130 _Citation.Year 2000 _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 Gabriela Perez-Alvarado . C. . 7246 1 2 Audrey Munnerlyn . . . 7246 1 3 H. Dyson . Jane . 7246 1 4 Rudolf Grosschedl . . . 7246 1 5 Peter Wright . E. . 7246 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7246 _Assembly.ID 1 _Assembly.Name 'PEBP2alpha DNA binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7246 1 stop_ 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 'PEBP2alpha DNA binding domain' 1 $RUNT_domain . . yes native no no . . . 7246 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RUNT_domain _Entity.Sf_category entity _Entity.Sf_framecode RUNT_domain _Entity.Entry_ID 7246 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PEBP2alpha DNA binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'PEBP2alpha-A1 residues 90-225' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DNRTMVEIIADHPAELVRTD SPNFLCSVLPSHWRCNKTLP VAFKVVALGEVPDGTVVTVM AGNDENYSAELRNASAVMKN QVARFNDLRFVGRSGRGKSF TLTITVFTNPPQVATYHRAI KVTVDGPREPRRHRQK ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 DBJ BAA03485 . "PEBP2a1 protein [Mus musculus]" . . . . . 100.00 513 100.00 100.00 6.23e-93 . . . . 7246 1 2 no DBJ BAA03486 . "PEBP2a2 protein [Mus musculus]" . . . . . 100.00 306 100.00 100.00 5.40e-96 . . . . 7246 1 3 no DBJ BAB40441 . "core binding factor alpha 1 [Rattus norvegicus]" . . . . . 74.26 120 100.00 100.00 1.41e-65 . . . . 7246 1 4 no DBJ BAG61865 . "unnamed protein product [Homo sapiens]" . . . . . 67.65 322 97.83 98.91 1.24e-54 . . . . 7246 1 5 no DBJ BAK62687 . "runt-related transcription factor 2 [Pan troglodytes]" . . . . . 100.00 256 100.00 100.00 3.22e-96 . . . . 7246 1 6 no GB AAA89072 . "core-binding factor, runt domain, alpha subunit 1, partial [Homo sapiens]" . . . . . 100.00 440 100.00 100.00 3.78e-93 . . . . 7246 1 7 no GB AAB65158 . "core binding factor alpha1 subunit [Homo sapiens]" . . . . . 100.00 507 100.00 100.00 1.27e-92 . . . . 7246 1 8 no GB AAB65159 . "core binding factor alpha1 subunit [Homo sapiens]" . . . . . 100.00 521 100.00 100.00 1.96e-92 . . . . 7246 1 9 no GB AAB65409 . "Osf2 [Mus musculus]" . . . . . 100.00 596 100.00 100.00 1.54e-91 . . . . 7246 1 10 no GB AAB82419 . "PEBP2alphaA major til-1 isoform [Mus musculus]" . . . . . 100.00 528 100.00 100.00 1.22e-92 . . . . 7246 1 11 no REF NP_001015051 . "runt-related transcription factor 2 isoform b [Homo sapiens]" . . . . . 100.00 499 100.00 100.00 8.93e-93 . . . . 7246 1 12 no REF NP_001019801 . "runt-related transcription factor 2 isoform a [Homo sapiens]" . . . . . 100.00 521 100.00 100.00 1.96e-92 . . . . 7246 1 13 no REF NP_001139392 . "runt-related transcription factor 2 isoform 2 [Mus musculus]" . . . . . 100.00 514 100.00 100.00 6.61e-93 . . . . 7246 1 14 no REF NP_001139510 . "runt-related transcription factor 2 isoform 1 [Mus musculus]" . . . . . 100.00 528 100.00 100.00 1.22e-92 . . . . 7246 1 15 no REF NP_001258556 . "runt-related transcription factor 2 isoform 1 [Mus musculus]" . . . . . 100.00 528 100.00 100.00 1.22e-92 . . . . 7246 1 16 no SP Q08775 . "RecName: Full=Runt-related transcription factor 2; AltName: Full=Acute myeloid leukemia 3 protein; AltName: Full=Core-binding f" . . . . . 100.00 607 100.00 100.00 2.31e-91 . . . . 7246 1 17 no SP Q13950 . "RecName: Full=Runt-related transcription factor 2; AltName: Full=Acute myeloid leukemia 3 protein; AltName: Full=Core-binding f" . . . . . 100.00 521 100.00 100.00 1.96e-92 . . . . 7246 1 18 no SP Q9Z2J9 . "RecName: Full=Runt-related transcription factor 2; AltName: Full=Core-binding factor subunit alpha-1; Short=CBF-alpha-1; AltNam" . . . . . 74.26 218 100.00 100.00 3.02e-64 . . . . 7246 1 19 no TPG DAA16468 . "TPA: runt-related transcription factor 2-like isoform 1 [Bos taurus]" . . . . . 100.00 518 100.00 100.00 2.02e-92 . . . . 7246 1 20 no TPG DAA16469 . "TPA: runt-related transcription factor 2-like isoform 2 [Bos taurus]" . . . . . 100.00 496 100.00 100.00 1.01e-92 . . . . 7246 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor' 7246 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID AML3 7246 1 CBFA1 7246 1 OSF-2 7246 1 'PEA2-alpha A' 7246 1 PEBP2alphaA1 7246 1 RUNX2 7246 1 SL3-3 7246 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 90 ASP . 7246 1 2 91 ASN . 7246 1 3 92 ARG . 7246 1 4 93 THR . 7246 1 5 94 MET . 7246 1 6 95 VAL . 7246 1 7 96 GLU . 7246 1 8 97 ILE . 7246 1 9 98 ILE . 7246 1 10 99 ALA . 7246 1 11 100 ASP . 7246 1 12 101 HIS . 7246 1 13 102 PRO . 7246 1 14 103 ALA . 7246 1 15 104 GLU . 7246 1 16 105 LEU . 7246 1 17 106 VAL . 7246 1 18 107 ARG . 7246 1 19 108 THR . 7246 1 20 109 ASP . 7246 1 21 110 SER . 7246 1 22 111 PRO . 7246 1 23 112 ASN . 7246 1 24 113 PHE . 7246 1 25 114 LEU . 7246 1 26 115 CYS . 7246 1 27 116 SER . 7246 1 28 117 VAL . 7246 1 29 118 LEU . 7246 1 30 119 PRO . 7246 1 31 120 SER . 7246 1 32 121 HIS . 7246 1 33 122 TRP . 7246 1 34 123 ARG . 7246 1 35 124 CYS . 7246 1 36 125 ASN . 7246 1 37 126 LYS . 7246 1 38 127 THR . 7246 1 39 128 LEU . 7246 1 40 129 PRO . 7246 1 41 130 VAL . 7246 1 42 131 ALA . 7246 1 43 132 PHE . 7246 1 44 133 LYS . 7246 1 45 134 VAL . 7246 1 46 135 VAL . 7246 1 47 136 ALA . 7246 1 48 137 LEU . 7246 1 49 138 GLY . 7246 1 50 139 GLU . 7246 1 51 140 VAL . 7246 1 52 141 PRO . 7246 1 53 142 ASP . 7246 1 54 143 GLY . 7246 1 55 144 THR . 7246 1 56 145 VAL . 7246 1 57 146 VAL . 7246 1 58 147 THR . 7246 1 59 148 VAL . 7246 1 60 149 MET . 7246 1 61 150 ALA . 7246 1 62 151 GLY . 7246 1 63 152 ASN . 7246 1 64 153 ASP . 7246 1 65 154 GLU . 7246 1 66 155 ASN . 7246 1 67 156 TYR . 7246 1 68 157 SER . 7246 1 69 158 ALA . 7246 1 70 159 GLU . 7246 1 71 160 LEU . 7246 1 72 161 ARG . 7246 1 73 162 ASN . 7246 1 74 163 ALA . 7246 1 75 164 SER . 7246 1 76 165 ALA . 7246 1 77 166 VAL . 7246 1 78 167 MET . 7246 1 79 168 LYS . 7246 1 80 169 ASN . 7246 1 81 170 GLN . 7246 1 82 171 VAL . 7246 1 83 172 ALA . 7246 1 84 173 ARG . 7246 1 85 174 PHE . 7246 1 86 175 ASN . 7246 1 87 176 ASP . 7246 1 88 177 LEU . 7246 1 89 178 ARG . 7246 1 90 179 PHE . 7246 1 91 180 VAL . 7246 1 92 181 GLY . 7246 1 93 182 ARG . 7246 1 94 183 SER . 7246 1 95 184 GLY . 7246 1 96 185 ARG . 7246 1 97 186 GLY . 7246 1 98 187 LYS . 7246 1 99 188 SER . 7246 1 100 189 PHE . 7246 1 101 190 THR . 7246 1 102 191 LEU . 7246 1 103 192 THR . 7246 1 104 193 ILE . 7246 1 105 194 THR . 7246 1 106 195 VAL . 7246 1 107 196 PHE . 7246 1 108 197 THR . 7246 1 109 198 ASN . 7246 1 110 199 PRO . 7246 1 111 200 PRO . 7246 1 112 201 GLN . 7246 1 113 202 VAL . 7246 1 114 203 ALA . 7246 1 115 204 THR . 7246 1 116 205 TYR . 7246 1 117 206 HIS . 7246 1 118 207 ARG . 7246 1 119 208 ALA . 7246 1 120 209 ILE . 7246 1 121 210 LYS . 7246 1 122 211 VAL . 7246 1 123 212 THR . 7246 1 124 213 VAL . 7246 1 125 214 ASP . 7246 1 126 215 GLY . 7246 1 127 216 PRO . 7246 1 128 217 ARG . 7246 1 129 218 GLU . 7246 1 130 219 PRO . 7246 1 131 220 ARG . 7246 1 132 221 ARG . 7246 1 133 222 HIS . 7246 1 134 223 ARG . 7246 1 135 224 GLN . 7246 1 136 225 LYS . 7246 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 . ASP 1 1 7246 1 . ASN 2 2 7246 1 . ARG 3 3 7246 1 . THR 4 4 7246 1 . MET 5 5 7246 1 . VAL 6 6 7246 1 . GLU 7 7 7246 1 . ILE 8 8 7246 1 . ILE 9 9 7246 1 . ALA 10 10 7246 1 . ASP 11 11 7246 1 . HIS 12 12 7246 1 . PRO 13 13 7246 1 . ALA 14 14 7246 1 . GLU 15 15 7246 1 . LEU 16 16 7246 1 . VAL 17 17 7246 1 . ARG 18 18 7246 1 . THR 19 19 7246 1 . ASP 20 20 7246 1 . SER 21 21 7246 1 . PRO 22 22 7246 1 . ASN 23 23 7246 1 . PHE 24 24 7246 1 . LEU 25 25 7246 1 . CYS 26 26 7246 1 . SER 27 27 7246 1 . VAL 28 28 7246 1 . LEU 29 29 7246 1 . PRO 30 30 7246 1 . SER 31 31 7246 1 . HIS 32 32 7246 1 . TRP 33 33 7246 1 . ARG 34 34 7246 1 . CYS 35 35 7246 1 . ASN 36 36 7246 1 . LYS 37 37 7246 1 . THR 38 38 7246 1 . LEU 39 39 7246 1 . PRO 40 40 7246 1 . VAL 41 41 7246 1 . ALA 42 42 7246 1 . PHE 43 43 7246 1 . LYS 44 44 7246 1 . VAL 45 45 7246 1 . VAL 46 46 7246 1 . ALA 47 47 7246 1 . LEU 48 48 7246 1 . GLY 49 49 7246 1 . GLU 50 50 7246 1 . VAL 51 51 7246 1 . PRO 52 52 7246 1 . ASP 53 53 7246 1 . GLY 54 54 7246 1 . THR 55 55 7246 1 . VAL 56 56 7246 1 . VAL 57 57 7246 1 . THR 58 58 7246 1 . VAL 59 59 7246 1 . MET 60 60 7246 1 . ALA 61 61 7246 1 . GLY 62 62 7246 1 . ASN 63 63 7246 1 . ASP 64 64 7246 1 . GLU 65 65 7246 1 . ASN 66 66 7246 1 . TYR 67 67 7246 1 . SER 68 68 7246 1 . ALA 69 69 7246 1 . GLU 70 70 7246 1 . LEU 71 71 7246 1 . ARG 72 72 7246 1 . ASN 73 73 7246 1 . ALA 74 74 7246 1 . SER 75 75 7246 1 . ALA 76 76 7246 1 . VAL 77 77 7246 1 . MET 78 78 7246 1 . LYS 79 79 7246 1 . ASN 80 80 7246 1 . GLN 81 81 7246 1 . VAL 82 82 7246 1 . ALA 83 83 7246 1 . ARG 84 84 7246 1 . PHE 85 85 7246 1 . ASN 86 86 7246 1 . ASP 87 87 7246 1 . LEU 88 88 7246 1 . ARG 89 89 7246 1 . PHE 90 90 7246 1 . VAL 91 91 7246 1 . GLY 92 92 7246 1 . ARG 93 93 7246 1 . SER 94 94 7246 1 . GLY 95 95 7246 1 . ARG 96 96 7246 1 . GLY 97 97 7246 1 . LYS 98 98 7246 1 . SER 99 99 7246 1 . PHE 100 100 7246 1 . THR 101 101 7246 1 . LEU 102 102 7246 1 . THR 103 103 7246 1 . ILE 104 104 7246 1 . THR 105 105 7246 1 . VAL 106 106 7246 1 . PHE 107 107 7246 1 . THR 108 108 7246 1 . ASN 109 109 7246 1 . PRO 110 110 7246 1 . PRO 111 111 7246 1 . GLN 112 112 7246 1 . VAL 113 113 7246 1 . ALA 114 114 7246 1 . THR 115 115 7246 1 . TYR 116 116 7246 1 . HIS 117 117 7246 1 . ARG 118 118 7246 1 . ALA 119 119 7246 1 . ILE 120 120 7246 1 . LYS 121 121 7246 1 . VAL 122 122 7246 1 . THR 123 123 7246 1 . VAL 124 124 7246 1 . ASP 125 125 7246 1 . GLY 126 126 7246 1 . PRO 127 127 7246 1 . ARG 128 128 7246 1 . GLU 129 129 7246 1 . PRO 130 130 7246 1 . ARG 131 131 7246 1 . ARG 132 132 7246 1 . HIS 133 133 7246 1 . ARG 134 134 7246 1 . GLN 135 135 7246 1 . LYS 136 136 7246 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 7246 _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 $RUNT_domain . 10090 . no . Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 7246 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 7246 _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 $RUNT_domain . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pet21d . Novagen . . . . 7246 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7246 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2H,15N,13C-PEBP2alpha (residues 90-225). The protein studied had a high level of deuterium labeling (~85%). The 15N and 13C chemical shifts reported have not been corrected for the 2H isotope effects." ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PEBP2alpha DNA binding domain' '[U-2H; U-15N; U-13C]' . . 1 $RUNT_domain . . 0.2 . . mM . . . . 7246 1 2 'Tris HCl-d8' . . . . . . . 20 . . mM . . . . 7246 1 3 K2SO4 . . . . . . . 20 . . mM . . . . 7246 1 4 KCl . . . . . . . 100 . . mM . . . . 7246 1 5 DTT . . . . . . . 10 . . mM . . . . 7246 1 6 D2O . . . . . . . 5 . . % . . . . 7246 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7246 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM Tris HCl-d8, pH 6.5, 20 mM K2SO4, 100 mM KCl, 10 mM DTT, 5% D2O' 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 6.5 0.2 pH 7246 1 temperature 295 0.2 K 7246 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7246 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 7246 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7246 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7246 _Software.ID 2 _Software.Name Felix97 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Molecular Simulations' 'San Diego, CA' . 7246 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7246 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 7246 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 7246 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 7246 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 7246 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID OneMoonScientific . . 7246 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 7246 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7246 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7246 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7246 1 2 1H15N_NOESY_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7246 1 3 CT_HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7246 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7246 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7246 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H15N_NOESY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_NOESY_HSQC _NMR_spec_expt.Entry_ID 7246 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H15N NOESY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CT_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CT_HNCA _NMR_spec_expt.Entry_ID 7246 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'CT HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7246 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7246 _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 0.0 . indirect 0.251449530 . . . . . . . . . 7246 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7246 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7246 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7246 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.08 _Assigned_chem_shift_list.Chem_shift_15N_err 0.07 _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 ; 1H, 13C and 15N backbone chemical shifts of the RUNT domain of PEBP2-alpha A1 residues 90-225 with no corrections for 15N and 13C chemical shifts due to the effects of the 2H isotope. ; _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 $sample_1 isotropic 7246 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 7246 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 ASP CA C 13 53.91 0.08 . 1 . . . . 90 ASP CA . 7246 1 2 . 1 1 1 1 ASP CB C 13 41.32 0.08 . 1 . . . . 90 ASP CB . 7246 1 3 . 1 1 2 2 ASN H H 1 8.63 0.02 . 1 . . . . 91 ASN H . 7246 1 4 . 1 1 2 2 ASN CA C 13 53.09 0.08 . 1 . . . . 91 ASN CA . 7246 1 5 . 1 1 2 2 ASN CB C 13 38.41 0.08 . 1 . . . . 91 ASN CB . 7246 1 6 . 1 1 2 2 ASN N N 15 120.23 0.07 . 1 . . . . 91 ASN N . 7246 1 7 . 1 1 3 3 ARG H H 1 8.34 0.02 . 1 . . . . 92 ARG H . 7246 1 8 . 1 1 3 3 ARG CA C 13 56.29 0.08 . 1 . . . . 92 ARG CA . 7246 1 9 . 1 1 3 3 ARG CB C 13 29.94 0.08 . 1 . . . . 92 ARG CB . 7246 1 10 . 1 1 3 3 ARG N N 15 121.2 0.07 . 1 . . . . 92 ARG N . 7246 1 11 . 1 1 4 4 THR H H 1 8.25 0.02 . 1 . . . . 93 THR H . 7246 1 12 . 1 1 4 4 THR CA C 13 61.84 0.08 . 1 . . . . 93 THR CA . 7246 1 13 . 1 1 4 4 THR CB C 13 69.49 0.08 . 1 . . . . 93 THR CB . 7246 1 14 . 1 1 4 4 THR N N 15 114.53 0.07 . 1 . . . . 93 THR N . 7246 1 15 . 1 1 5 5 MET H H 1 8.41 0.02 . 1 . . . . 94 MET H . 7246 1 16 . 1 1 5 5 MET CA C 13 55.72 0.08 . 1 . . . . 94 MET CA . 7246 1 17 . 1 1 5 5 MET N N 15 122.15 0.07 . 1 . . . . 94 MET N . 7246 1 18 . 1 1 6 6 VAL H H 1 8.04 0.02 . 1 . . . . 95 VAL H . 7246 1 19 . 1 1 6 6 VAL CA C 13 62.74 0.08 . 1 . . . . 95 VAL CA . 7246 1 20 . 1 1 6 6 VAL CB C 13 31.87 0.08 . 1 . . . . 95 VAL CB . 7246 1 21 . 1 1 6 6 VAL N N 15 120.24 0.07 . 1 . . . . 95 VAL N . 7246 1 22 . 1 1 7 7 GLU H H 1 8.25 0.02 . 1 . . . . 96 GLU H . 7246 1 23 . 1 1 7 7 GLU CA C 13 56.50 0.08 . 1 . . . . 96 GLU CA . 7246 1 24 . 1 1 7 7 GLU CB C 13 29.69 0.08 . 1 . . . . 96 GLU CB . 7246 1 25 . 1 1 7 7 GLU N N 15 123.69 0.07 . 1 . . . . 96 GLU N . 7246 1 26 . 1 1 8 8 ILE H H 1 8.23 0.02 . 1 . . . . 97 ILE H . 7246 1 27 . 1 1 8 8 ILE CA C 13 61.31 0.08 . 1 . . . . 97 ILE CA . 7246 1 28 . 1 1 8 8 ILE CB C 13 37.52 0.08 . 1 . . . . 97 ILE CB . 7246 1 29 . 1 1 8 8 ILE N N 15 122.45 0.07 . 1 . . . . 97 ILE N . 7246 1 30 . 1 1 9 9 ILE H H 1 8.26 0.02 . 1 . . . . 98 ILE H . 7246 1 31 . 1 1 9 9 ILE CA C 13 60.50 0.08 . 1 . . . . 98 ILE CA . 7246 1 32 . 1 1 9 9 ILE CB C 13 37.44 0.08 . 1 . . . . 98 ILE CB . 7246 1 33 . 1 1 9 9 ILE N N 15 124.37 0.07 . 1 . . . . 98 ILE N . 7246 1 34 . 1 1 10 10 ALA H H 1 8.34 0.02 . 1 . . . . 99 ALA H . 7246 1 35 . 1 1 10 10 ALA CA C 13 51.99 0.08 . 1 . . . . 99 ALA CA . 7246 1 36 . 1 1 10 10 ALA CB C 13 18.55 0.08 . 1 . . . . 99 ALA CB . 7246 1 37 . 1 1 10 10 ALA N N 15 128.02 0.07 . 1 . . . . 99 ALA N . 7246 1 38 . 1 1 11 11 ASP H H 1 8.13 0.02 . 1 . . . . 100 ASP H . 7246 1 39 . 1 1 11 11 ASP CA C 13 54.11 0.08 . 1 . . . . 100 ASP CA . 7246 1 40 . 1 1 11 11 ASP CB C 13 40.51 0.08 . 1 . . . . 100 ASP CB . 7246 1 41 . 1 1 11 11 ASP N N 15 118.69 0.07 . 1 . . . . 100 ASP N . 7246 1 42 . 1 1 12 12 HIS H H 1 8.22 0.02 . 1 . . . . 101 HIS H . 7246 1 43 . 1 1 12 12 HIS CA C 13 53.87 0.08 . 1 . . . . 101 HIS CA . 7246 1 44 . 1 1 12 12 HIS CB C 13 28.64 0.08 . 1 . . . . 101 HIS CB . 7246 1 45 . 1 1 12 12 HIS N N 15 119.19 0.07 . 1 . . . . 101 HIS N . 7246 1 46 . 1 1 13 13 PRO CB C 13 31.39 0.08 . 1 . . . . 102 PRO CB . 7246 1 47 . 1 1 14 14 ALA H H 1 8.51 0.02 . 1 . . . . 103 ALA H . 7246 1 48 . 1 1 14 14 ALA CA C 13 52.15 0.08 . 1 . . . . 103 ALA CA . 7246 1 49 . 1 1 14 14 ALA CB C 13 18.80 0.08 . 1 . . . . 103 ALA CB . 7246 1 50 . 1 1 14 14 ALA N N 15 123.88 0.07 . 1 . . . . 103 ALA N . 7246 1 51 . 1 1 15 15 GLU H H 1 8.31 0.02 . 1 . . . . 104 GLU H . 7246 1 52 . 1 1 15 15 GLU CA C 13 56.56 0.08 . 1 . . . . 104 GLU CA . 7246 1 53 . 1 1 15 15 GLU CB C 13 29.61 0.08 . 1 . . . . 104 GLU CB . 7246 1 54 . 1 1 15 15 GLU N N 15 119.37 0.07 . 1 . . . . 104 GLU N . 7246 1 55 . 1 1 16 16 LEU H H 1 7.96 0.02 . 1 . . . . 105 LEU H . 7246 1 56 . 1 1 16 16 LEU CA C 13 52.99 0.08 . 1 . . . . 105 LEU CA . 7246 1 57 . 1 1 16 16 LEU CB C 13 43.90 0.08 . 1 . . . . 105 LEU CB . 7246 1 58 . 1 1 16 16 LEU N N 15 120.52 0.07 . 1 . . . . 105 LEU N . 7246 1 59 . 1 1 17 17 VAL H H 1 9.49 0.02 . 1 . . . . 106 VAL H . 7246 1 60 . 1 1 17 17 VAL CA C 13 59.03 0.08 . 1 . . . . 106 VAL CA . 7246 1 61 . 1 1 17 17 VAL N N 15 118.12 0.07 . 1 . . . . 106 VAL N . 7246 1 62 . 1 1 19 19 THR H H 1 7.93 0.02 . 1 . . . . 108 THR H . 7246 1 63 . 1 1 19 19 THR CB C 13 70.06 0.08 . 1 . . . . 108 THR CB . 7246 1 64 . 1 1 19 19 THR N N 15 110.52 0.07 . 1 . . . . 108 THR N . 7246 1 65 . 1 1 20 20 ASP H H 1 8.63 0.02 . 1 . . . . 109 ASP H . 7246 1 66 . 1 1 20 20 ASP CA C 13 54.46 0.08 . 1 . . . . 109 ASP CA . 7246 1 67 . 1 1 20 20 ASP CB C 13 39.38 0.08 . 1 . . . . 109 ASP CB . 7246 1 68 . 1 1 20 20 ASP N N 15 117.01 0.07 . 1 . . . . 109 ASP N . 7246 1 69 . 1 1 21 21 SER H H 1 8.44 0.02 . 1 . . . . 110 SER H . 7246 1 70 . 1 1 21 21 SER CA C 13 53.27 0.08 . 1 . . . . 110 SER CA . 7246 1 71 . 1 1 21 21 SER N N 15 115.66 0.07 . 1 . . . . 110 SER N . 7246 1 72 . 1 1 23 23 ASN H H 1 7.86 0.02 . 1 . . . . 112 ASN H . 7246 1 73 . 1 1 23 23 ASN CA C 13 52.80 0.08 . 1 . . . . 112 ASN CA . 7246 1 74 . 1 1 23 23 ASN CB C 13 39.26 0.08 . 1 . . . . 112 ASN CB . 7246 1 75 . 1 1 23 23 ASN N N 15 112.28 0.07 . 1 . . . . 112 ASN N . 7246 1 76 . 1 1 24 24 PHE H H 1 7.39 0.02 . 1 . . . . 113 PHE H . 7246 1 77 . 1 1 24 24 PHE CA C 13 57.27 0.08 . 1 . . . . 113 PHE CA . 7246 1 78 . 1 1 24 24 PHE CB C 13 42.65 0.08 . 1 . . . . 113 PHE CB . 7246 1 79 . 1 1 24 24 PHE N N 15 114.24 0.07 . 1 . . . . 113 PHE N . 7246 1 80 . 1 1 25 25 LEU H H 1 9.35 0.02 . 1 . . . . 114 LEU H . 7246 1 81 . 1 1 25 25 LEU CA C 13 52.78 0.08 . 1 . . . . 114 LEU CA . 7246 1 82 . 1 1 25 25 LEU CB C 13 45.25 0.08 . 1 . . . . 114 LEU CB . 7246 1 83 . 1 1 25 25 LEU N N 15 123.92 0.07 . 1 . . . . 114 LEU N . 7246 1 84 . 1 1 27 27 SER H H 1 7.99 0.02 . 1 . . . . 116 SER H . 7246 1 85 . 1 1 27 27 SER N N 15 114.88 0.07 . 1 . . . . 116 SER N . 7246 1 86 . 1 1 28 28 VAL H H 1 7.62 0.02 . 1 . . . . 117 VAL H . 7246 1 87 . 1 1 28 28 VAL N N 15 117.69 0.07 . 1 . . . . 117 VAL N . 7246 1 88 . 1 1 29 29 LEU H H 1 8.03 0.02 . 1 . . . . 118 LEU H . 7246 1 89 . 1 1 29 29 LEU CA C 13 51.56 0.08 . 1 . . . . 118 LEU CA . 7246 1 90 . 1 1 29 29 LEU N N 15 128.95 0.07 . 1 . . . . 118 LEU N . 7246 1 91 . 1 1 32 32 HIS H H 1 7.63 0.02 . 1 . . . . 121 HIS H . 7246 1 92 . 1 1 32 32 HIS N N 15 120.59 0.07 . 1 . . . . 121 HIS N . 7246 1 93 . 1 1 33 33 TRP H H 1 8.73 0.02 . 1 . . . . 122 TRP H . 7246 1 94 . 1 1 33 33 TRP N N 15 125.26 0.07 . 1 . . . . 122 TRP N . 7246 1 95 . 1 1 36 36 ASN H H 1 9.49 0.02 . 1 . . . . 125 ASN H . 7246 1 96 . 1 1 36 36 ASN N N 15 117.76 0.07 . 1 . . . . 125 ASN N . 7246 1 97 . 1 1 37 37 LYS H H 1 7.64 0.02 . 1 . . . . 126 LYS H . 7246 1 98 . 1 1 37 37 LYS N N 15 120.01 0.07 . 1 . . . . 126 LYS N . 7246 1 99 . 1 1 41 41 VAL H H 1 6.95 0.02 . 1 . . . . 130 VAL H . 7246 1 100 . 1 1 41 41 VAL N N 15 114.10 0.07 . 1 . . . . 130 VAL N . 7246 1 101 . 1 1 42 42 ALA H H 1 8.23 0.02 . 1 . . . . 131 ALA H . 7246 1 102 . 1 1 42 42 ALA CA C 13 52.17 0.08 . 1 . . . . 131 ALA CA . 7246 1 103 . 1 1 42 42 ALA N N 15 126.91 0.07 . 1 . . . . 131 ALA N . 7246 1 104 . 1 1 43 43 PHE H H 1 8.42 0.02 . 1 . . . . 132 PHE H . 7246 1 105 . 1 1 43 43 PHE N N 15 124.48 0.07 . 1 . . . . 132 PHE N . 7246 1 106 . 1 1 44 44 LYS H H 1 8.13 0.02 . 1 . . . . 133 LYS H . 7246 1 107 . 1 1 44 44 LYS N N 15 125.22 0.07 . 1 . . . . 133 LYS N . 7246 1 108 . 1 1 45 45 VAL H H 1 8.43 0.02 . 1 . . . . 134 VAL H . 7246 1 109 . 1 1 45 45 VAL N N 15 118.93 0.07 . 1 . . . . 134 VAL N . 7246 1 110 . 1 1 46 46 VAL H H 1 9.06 0.02 . 1 . . . . 135 VAL H . 7246 1 111 . 1 1 46 46 VAL CA C 13 60.56 0.08 . 1 . . . . 135 VAL CA . 7246 1 112 . 1 1 46 46 VAL N N 15 127.61 0.07 . 1 . . . . 135 VAL N . 7246 1 113 . 1 1 47 47 ALA H H 1 9.23 0.02 . 1 . . . . 136 ALA H . 7246 1 114 . 1 1 47 47 ALA CA C 13 50.13 0.08 . 1 . . . . 136 ALA CA . 7246 1 115 . 1 1 47 47 ALA N N 15 129.05 0.07 . 1 . . . . 136 ALA N . 7246 1 116 . 1 1 48 48 LEU H H 1 8.15 0.02 . 1 . . . . 137 LEU H . 7246 1 117 . 1 1 48 48 LEU CA C 13 54.38 0.08 . 1 . . . . 137 LEU CA . 7246 1 118 . 1 1 48 48 LEU CB C 13 40.72 0.08 . 1 . . . . 137 LEU CB . 7246 1 119 . 1 1 48 48 LEU N N 15 121.16 0.07 . 1 . . . . 137 LEU N . 7246 1 120 . 1 1 49 49 GLY H H 1 8.07 0.02 . 1 . . . . 138 GLY H . 7246 1 121 . 1 1 49 49 GLY CA C 13 43.15 0.08 . 1 . . . . 138 GLY CA . 7246 1 122 . 1 1 49 49 GLY N N 15 109.09 0.07 . 1 . . . . 138 GLY N . 7246 1 123 . 1 1 50 50 GLU H H 1 8.23 0.02 . 1 . . . . 139 GLU H . 7246 1 124 . 1 1 50 50 GLU CA C 13 56.54 0.08 . 1 . . . . 139 GLU CA . 7246 1 125 . 1 1 50 50 GLU CB C 13 28.32 0.08 . 1 . . . . 139 GLU CB . 7246 1 126 . 1 1 50 50 GLU N N 15 119.23 0.07 . 1 . . . . 139 GLU N . 7246 1 127 . 1 1 51 51 VAL H H 1 8.29 0.02 . 1 . . . . 140 VAL H . 7246 1 128 . 1 1 51 51 VAL CA C 13 58.93 0.08 . 1 . . . . 140 VAL CA . 7246 1 129 . 1 1 51 51 VAL CB C 13 34.55 0.08 . 1 . . . . 140 VAL CB . 7246 1 130 . 1 1 51 51 VAL N N 15 126.70 0.07 . 1 . . . . 140 VAL N . 7246 1 131 . 1 1 52 52 PRO CA C 13 62.44 0.08 . 1 . . . . 141 PRO CA . 7246 1 132 . 1 1 53 53 ASP H H 1 9.16 0.02 . 1 . . . . 142 ASP H . 7246 1 133 . 1 1 53 53 ASP CA C 13 55.09 0.08 . 1 . . . . 142 ASP CA . 7246 1 134 . 1 1 53 53 ASP CB C 13 39.39 0.08 . 1 . . . . 142 ASP CB . 7246 1 135 . 1 1 53 53 ASP N N 15 125.65 0.07 . 1 . . . . 142 ASP N . 7246 1 136 . 1 1 54 54 GLY H H 1 9.16 0.02 . 1 . . . . 143 GLY H . 7246 1 137 . 1 1 54 54 GLY CA C 13 44.34 0.08 . 1 . . . . 143 GLY CA . 7246 1 138 . 1 1 54 54 GLY N N 15 110.15 0.07 . 1 . . . . 143 GLY N . 7246 1 139 . 1 1 55 55 THR H H 1 7.43 0.02 . 1 . . . . 144 THR H . 7246 1 140 . 1 1 55 55 THR CA C 13 64.30 0.08 . 1 . . . . 144 THR CA . 7246 1 141 . 1 1 55 55 THR N N 15 117.87 0.07 . 1 . . . . 144 THR N . 7246 1 142 . 1 1 56 56 VAL H H 1 8.91 0.02 . 1 . . . . 145 VAL H . 7246 1 143 . 1 1 56 56 VAL CA C 13 63.54 0.08 . 1 . . . . 145 VAL CA . 7246 1 144 . 1 1 56 56 VAL CB C 13 31.59 0.08 . 1 . . . . 145 VAL CB . 7246 1 145 . 1 1 56 56 VAL N N 15 130.77 0.07 . 1 . . . . 145 VAL N . 7246 1 146 . 1 1 57 57 VAL H H 1 8.76 0.02 . 1 . . . . 146 VAL H . 7246 1 147 . 1 1 57 57 VAL CB C 13 34.06 0.08 . 1 . . . . 146 VAL CB . 7246 1 148 . 1 1 57 57 VAL N N 15 126.82 0.07 . 1 . . . . 146 VAL N . 7246 1 149 . 1 1 58 58 THR H H 1 9.43 0.02 . 1 . . . . 147 THR H . 7246 1 150 . 1 1 58 58 THR N N 15 116.22 0.07 . 1 . . . . 147 THR N . 7246 1 151 . 1 1 59 59 VAL H H 1 8.27 0.02 . 1 . . . . 148 VAL H . 7246 1 152 . 1 1 59 59 VAL N N 15 117.43 0.07 . 1 . . . . 148 VAL N . 7246 1 153 . 1 1 60 60 MET H H 1 8.38 0.02 . 1 . . . . 149 MET H . 7246 1 154 . 1 1 60 60 MET N N 15 122.18 0.07 . 1 . . . . 149 MET N . 7246 1 155 . 1 1 61 61 ALA H H 1 8.95 0.02 . 1 . . . . 150 ALA H . 7246 1 156 . 1 1 61 61 ALA N N 15 124.90 0.07 . 1 . . . . 150 ALA N . 7246 1 157 . 1 1 62 62 GLY H H 1 8.15 0.02 . 1 . . . . 151 GLY H . 7246 1 158 . 1 1 62 62 GLY N N 15 105.11 0.07 . 1 . . . . 151 GLY N . 7246 1 159 . 1 1 63 63 ASN H H 1 8.78 0.02 . 1 . . . . 152 ASN H . 7246 1 160 . 1 1 63 63 ASN N N 15 117.91 0.07 . 1 . . . . 152 ASN N . 7246 1 161 . 1 1 64 64 ASP H H 1 8.47 0.02 . 1 . . . . 153 ASP H . 7246 1 162 . 1 1 64 64 ASP N N 15 115.67 0.07 . 1 . . . . 153 ASP N . 7246 1 163 . 1 1 67 67 TYR H H 1 8.38 0.02 . 1 . . . . 156 TYR H . 7246 1 164 . 1 1 67 67 TYR N N 15 122.50 0.07 . 1 . . . . 156 TYR N . 7246 1 165 . 1 1 69 69 ALA H H 1 8.60 0.02 . 1 . . . . 158 ALA H . 7246 1 166 . 1 1 69 69 ALA N N 15 128.61 0.07 . 1 . . . . 158 ALA N . 7246 1 167 . 1 1 71 71 LEU H H 1 8.75 0.02 . 1 . . . . 160 LEU H . 7246 1 168 . 1 1 71 71 LEU N N 15 127.69 0.07 . 1 . . . . 160 LEU N . 7246 1 169 . 1 1 73 73 ASN H H 1 9.01 0.02 . 1 . . . . 162 ASN H . 7246 1 170 . 1 1 73 73 ASN N N 15 118.22 0.07 . 1 . . . . 162 ASN N . 7246 1 171 . 1 1 74 74 ALA H H 1 8.12 0.02 . 1 . . . . 163 ALA H . 7246 1 172 . 1 1 74 74 ALA N N 15 119.56 0.07 . 1 . . . . 163 ALA N . 7246 1 173 . 1 1 75 75 SER H H 1 7.65 0.02 . 1 . . . . 164 SER H . 7246 1 174 . 1 1 75 75 SER CA C 13 57.05 0.08 . 1 . . . . 164 SER CA . 7246 1 175 . 1 1 75 75 SER N N 15 112.15 0.07 . 1 . . . . 164 SER N . 7246 1 176 . 1 1 76 76 ALA H H 1 9.30 0.02 . 1 . . . . 165 ALA H . 7246 1 177 . 1 1 76 76 ALA CA C 13 50.25 0.08 . 1 . . . . 165 ALA CA . 7246 1 178 . 1 1 76 76 ALA CB C 13 20.04 0.08 . 1 . . . . 165 ALA CB . 7246 1 179 . 1 1 76 76 ALA N N 15 127.52 0.07 . 1 . . . . 165 ALA N . 7246 1 180 . 1 1 77 77 VAL H H 1 8.12 0.02 . 1 . . . . 166 VAL H . 7246 1 181 . 1 1 77 77 VAL CA C 13 59.84 0.08 . 1 . . . . 166 VAL CA . 7246 1 182 . 1 1 77 77 VAL CB C 13 33.88 0.08 . 1 . . . . 166 VAL CB . 7246 1 183 . 1 1 77 77 VAL N N 15 115.59 0.07 . 1 . . . . 166 VAL N . 7246 1 184 . 1 1 78 78 MET H H 1 8.95 0.02 . 1 . . . . 167 MET H . 7246 1 185 . 1 1 78 78 MET CA C 13 55.71 0.08 . 1 . . . . 167 MET CA . 7246 1 186 . 1 1 78 78 MET N N 15 125.06 0.07 . 1 . . . . 167 MET N . 7246 1 187 . 1 1 79 79 LYS H H 1 8.75 0.02 . 1 . . . . 168 LYS H . 7246 1 188 . 1 1 79 79 LYS CA C 13 55.66 0.08 . 1 . . . . 168 LYS CA . 7246 1 189 . 1 1 79 79 LYS CB C 13 33.70 0.08 . 1 . . . . 168 LYS CB . 7246 1 190 . 1 1 79 79 LYS N N 15 125.33 0.07 . 1 . . . . 168 LYS N . 7246 1 191 . 1 1 80 80 ASN H H 1 10.04 0.02 . 1 . . . . 169 ASN H . 7246 1 192 . 1 1 80 80 ASN CA C 13 54.50 0.08 . 1 . . . . 169 ASN CA . 7246 1 193 . 1 1 80 80 ASN CB C 13 37.21 0.08 . 1 . . . . 169 ASN CB . 7246 1 194 . 1 1 80 80 ASN N N 15 127.26 0.07 . 1 . . . . 169 ASN N . 7246 1 195 . 1 1 81 81 GLN H H 1 9.31 0.02 . 1 . . . . 170 GLN H . 7246 1 196 . 1 1 81 81 GLN CA C 13 58.35 0.08 . 1 . . . . 170 GLN CA . 7246 1 197 . 1 1 81 81 GLN CB C 13 25.78 0.08 . 1 . . . . 170 GLN CB . 7246 1 198 . 1 1 81 81 GLN N N 15 105.82 0.07 . 1 . . . . 170 GLN N . 7246 1 199 . 1 1 82 82 VAL H H 1 7.60 0.02 . 1 . . . . 171 VAL H . 7246 1 200 . 1 1 82 82 VAL CA C 13 60.78 0.08 . 1 . . . . 171 VAL CA . 7246 1 201 . 1 1 82 82 VAL CB C 13 34.67 0.08 . 1 . . . . 171 VAL CB . 7246 1 202 . 1 1 82 82 VAL N N 15 117.46 0.07 . 1 . . . . 171 VAL N . 7246 1 203 . 1 1 83 83 ALA H H 1 9.49 0.02 . 1 . . . . 172 ALA H . 7246 1 204 . 1 1 83 83 ALA N N 15 132.00 0.07 . 1 . . . . 172 ALA N . 7246 1 205 . 1 1 84 84 ARG H H 1 8.69 0.02 . 1 . . . . 173 ARG H . 7246 1 206 . 1 1 84 84 ARG N N 15 123.81 0.07 . 1 . . . . 173 ARG N . 7246 1 207 . 1 1 85 85 PHE H H 1 9.24 0.02 . 1 . . . . 174 PHE H . 7246 1 208 . 1 1 85 85 PHE N N 15 126.88 0.07 . 1 . . . . 174 PHE N . 7246 1 209 . 1 1 86 86 ASN H H 1 9.13 0.02 . 1 . . . . 175 ASN H . 7246 1 210 . 1 1 86 86 ASN N N 15 125.59 0.07 . 1 . . . . 175 ASN N . 7246 1 211 . 1 1 87 87 ASP H H 1 8.89 0.02 . 1 . . . . 176 ASP H . 7246 1 212 . 1 1 87 87 ASP N N 15 120.22 0.07 . 1 . . . . 176 ASP N . 7246 1 213 . 1 1 88 88 LEU H H 1 7.83 0.02 . 1 . . . . 177 LEU H . 7246 1 214 . 1 1 88 88 LEU N N 15 122.61 0.07 . 1 . . . . 177 LEU N . 7246 1 215 . 1 1 90 90 PHE H H 1 9.13 0.02 . 1 . . . . 179 PHE H . 7246 1 216 . 1 1 90 90 PHE CA C 13 56.74 0.08 . 1 . . . . 179 PHE CA . 7246 1 217 . 1 1 90 90 PHE N N 15 121.00 0.07 . 1 . . . . 179 PHE N . 7246 1 218 . 1 1 93 93 ARG H H 1 8.13 0.02 . 1 . . . . 182 ARG H . 7246 1 219 . 1 1 93 93 ARG N N 15 115.72 0.07 . 1 . . . . 182 ARG N . 7246 1 220 . 1 1 100 100 PHE H H 1 9.08 0.02 . 1 . . . . 189 PHE H . 7246 1 221 . 1 1 100 100 PHE N N 15 119.98 0.07 . 1 . . . . 189 PHE N . 7246 1 222 . 1 1 103 103 THR H H 1 9.11 0.02 . 1 . . . . 192 THR H . 7246 1 223 . 1 1 103 103 THR N N 15 120.79 0.07 . 1 . . . . 192 THR N . 7246 1 224 . 1 1 104 104 ILE H H 1 9.69 0.02 . 1 . . . . 193 ILE H . 7246 1 225 . 1 1 104 104 ILE N N 15 132.48 0.07 . 1 . . . . 193 ILE N . 7246 1 226 . 1 1 105 105 THR H H 1 8.82 0.02 . 1 . . . . 194 THR H . 7246 1 227 . 1 1 105 105 THR CA C 13 61.82 0.08 . 1 . . . . 194 THR CA . 7246 1 228 . 1 1 105 105 THR CB C 13 68.11 0.08 . 1 . . . . 194 THR CB . 7246 1 229 . 1 1 105 105 THR N N 15 122.81 0.07 . 1 . . . . 194 THR N . 7246 1 230 . 1 1 106 106 VAL H H 1 9.08 0.02 . 1 . . . . 195 VAL H . 7246 1 231 . 1 1 106 106 VAL CA C 13 60.47 0.08 . 1 . . . . 195 VAL CA . 7246 1 232 . 1 1 106 106 VAL CB C 13 32.07 0.08 . 1 . . . . 195 VAL CB . 7246 1 233 . 1 1 106 106 VAL N N 15 126.14 0.07 . 1 . . . . 195 VAL N . 7246 1 234 . 1 1 107 107 PHE H H 1 9.39 0.02 . 1 . . . . 196 PHE H . 7246 1 235 . 1 1 107 107 PHE CA C 13 60.54 0.08 . 1 . . . . 196 PHE CA . 7246 1 236 . 1 1 107 107 PHE CB C 13 35.33 0.08 . 1 . . . . 196 PHE CB . 7246 1 237 . 1 1 107 107 PHE N N 15 128.66 0.07 . 1 . . . . 196 PHE N . 7246 1 238 . 1 1 108 108 THR H H 1 8.11 0.02 . 1 . . . . 197 THR H . 7246 1 239 . 1 1 108 108 THR CA C 13 62.82 0.08 . 1 . . . . 197 THR CA . 7246 1 240 . 1 1 108 108 THR CB C 13 69.98 0.08 . 1 . . . . 197 THR CB . 7246 1 241 . 1 1 108 108 THR N N 15 111.15 0.07 . 1 . . . . 197 THR N . 7246 1 242 . 1 1 109 109 ASN H H 1 8.62 0.02 . 1 . . . . 198 ASN H . 7246 1 243 . 1 1 109 109 ASN CA C 13 49.36 0.08 . 1 . . . . 198 ASN CA . 7246 1 244 . 1 1 109 109 ASN CB C 13 39.45 0.08 . 1 . . . . 198 ASN CB . 7246 1 245 . 1 1 109 109 ASN N N 15 116.60 0.07 . 1 . . . . 198 ASN N . 7246 1 246 . 1 1 112 112 GLN H H 1 8.63 0.02 . 1 . . . . 201 GLN H . 7246 1 247 . 1 1 112 112 GLN CA C 13 54.15 0.08 . 1 . . . . 201 GLN CA . 7246 1 248 . 1 1 112 112 GLN CB C 13 32.98 0.08 . 1 . . . . 201 GLN CB . 7246 1 249 . 1 1 112 112 GLN N N 15 119.97 0.07 . 1 . . . . 201 GLN N . 7246 1 250 . 1 1 113 113 VAL H H 1 8.31 0.02 . 1 . . . . 202 VAL H . 7246 1 251 . 1 1 113 113 VAL CA C 13 60.07 0.08 . 1 . . . . 202 VAL CA . 7246 1 252 . 1 1 113 113 VAL N N 15 120.77 0.07 . 1 . . . . 202 VAL N . 7246 1 253 . 1 1 114 114 ALA H H 1 9.40 0.02 . 1 . . . . 203 ALA H . 7246 1 254 . 1 1 114 114 ALA N N 15 130.63 0.07 . 1 . . . . 203 ALA N . 7246 1 255 . 1 1 115 115 THR H H 1 9.17 0.02 . 1 . . . . 204 THR H . 7246 1 256 . 1 1 115 115 THR N N 15 117.71 0.07 . 1 . . . . 204 THR N . 7246 1 257 . 1 1 116 116 TYR H H 1 9.18 0.02 . 1 . . . . 205 TYR H . 7246 1 258 . 1 1 116 116 TYR N N 15 128.99 0.07 . 1 . . . . 205 TYR N . 7246 1 259 . 1 1 122 122 VAL H H 1 8.37 0.02 . 1 . . . . 211 VAL H . 7246 1 260 . 1 1 122 122 VAL CA C 13 61.11 0.08 . 1 . . . . 211 VAL CA . 7246 1 261 . 1 1 122 122 VAL N N 15 127.20 0.07 . 1 . . . . 211 VAL N . 7246 1 262 . 1 1 128 128 ARG H H 1 8.30 0.02 . 1 . . . . 217 ARG H . 7246 1 263 . 1 1 128 128 ARG N N 15 123.11 0.07 . 1 . . . . 217 ARG N . 7246 1 264 . 1 1 129 129 GLU H H 1 7.98 0.02 . 1 . . . . 218 GLU H . 7246 1 265 . 1 1 129 129 GLU N N 15 120.62 0.07 . 1 . . . . 218 GLU N . 7246 1 266 . 1 1 131 131 ARG H H 1 8.47 0.02 . 1 . . . . 220 ARG H . 7246 1 267 . 1 1 131 131 ARG N N 15 120.98 0.07 . 1 . . . . 220 ARG N . 7246 1 268 . 1 1 132 132 ARG H H 1 8.49 0.02 . 1 . . . . 221 ARG H . 7246 1 269 . 1 1 132 132 ARG CA C 13 55.20 0.08 . 1 . . . . 221 ARG CA . 7246 1 270 . 1 1 132 132 ARG CB C 13 29.89 0.08 . 1 . . . . 221 ARG CB . 7246 1 271 . 1 1 132 132 ARG N N 15 121.11 0.07 . 1 . . . . 221 ARG N . 7246 1 272 . 1 1 133 133 HIS H H 1 8.45 0.02 . 1 . . . . 222 HIS H . 7246 1 273 . 1 1 133 133 HIS CA C 13 55.46 0.08 . 1 . . . . 222 HIS CA . 7246 1 274 . 1 1 133 133 HIS N N 15 121.41 0.07 . 1 . . . . 222 HIS N . 7246 1 275 . 1 1 134 134 ARG H H 1 8.46 0.02 . 1 . . . . 223 ARG H . 7246 1 276 . 1 1 134 134 ARG N N 15 123.60 0.07 . 1 . . . . 223 ARG N . 7246 1 277 . 1 1 135 135 GLN H H 1 8.53 0.02 . 1 . . . . 224 GLN H . 7246 1 278 . 1 1 135 135 GLN CA C 13 55.58 0.08 . 1 . . . . 224 GLN CA . 7246 1 279 . 1 1 135 135 GLN CB C 13 28.86 0.08 . 1 . . . . 224 GLN CB . 7246 1 280 . 1 1 135 135 GLN N N 15 122.46 0.07 . 1 . . . . 224 GLN N . 7246 1 281 . 1 1 136 136 LYS H H 1 8.06 0.02 . 1 . . . . 225 LYS H . 7246 1 282 . 1 1 136 136 LYS CA C 13 57.56 0.08 . 1 . . . . 225 LYS CA . 7246 1 283 . 1 1 136 136 LYS CB C 13 32.86 0.08 . 1 . . . . 225 LYS CB . 7246 1 284 . 1 1 136 136 LYS N N 15 128.04 0.07 . 1 . . . . 225 LYS N . 7246 1 stop_ save_