data_18386 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18386 _Entry.Title ; Characterization of the chromoshadow domain-mediated binding of heterochromatin protein 1 alpha (HP1 alpha) to histone H3: Backbone 1H, 15N chemical shift assignments for HP1 CSDalpha(109-185) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-10 _Entry.Accession_date 2012-04-10 _Entry.Last_release_date . _Entry.Original_release_date . _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 . _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 Alexandria Richart . N. . 18386 2 Clair Brunner . I.W. . 18386 3 Katherine Stott . . . 18386 4 Natalia Murzina . V. . 18386 5 Jean Thomas . O. . 18386 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18386 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 59 18386 '1H chemical shifts' 61 18386 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-06-14 2012-04-10 update BMRB 'update entry citation' 18386 1 . . 2012-05-21 2012-04-10 original author 'original release' 18386 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18385 H3(1-59) 18386 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18386 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22493481 _Citation.Full_citation . _Citation.Title 'Characterization of Chromoshadow Domain-mediated Binding of Heterochromatin Protein 1 (HP1) to Histone H3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 22 _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 18730 _Citation.Page_last 18737 _Citation.Year 2012 _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 Alexandria Richart . N. . 18386 1 2 Clair Brunner . I.W. . 18386 1 3 Katherine Stott . . . 18386 1 4 Natalia Murzina . V. . 18386 1 5 Jean Thomas . O. . 18386 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18386 _Assembly.ID 1 _Assembly.Name 'HP1 CSDalpha(109-185)' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'HP1 CSDalpha(109-185)' 1 $HP1_CSDalpha(109-185) A . yes native no no . . . 18386 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HP1_CSDalpha(109-185) _Entity.Sf_category entity _Entity.Sf_framecode HP1_CSDalpha(109-185) _Entity.Entry_ID 18386 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HP1_CSDalpha(109-185) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGKKTKRTADSSSSEDEEEY VVEKVLDRRVVKGQVEYLLK WKGFSEEHNTWEPEKNLDCP ELISEFMKKYKKMKEGENNK PREKSESNKRKSNFSNSADD IKSKKKREQSNDIARGFERG LEPEKIIGATDSCGDLMFLM KWKDTDEADLVLAKEANVKC PQIVIAFYEERLTWHAYPED AENKEKETAKS ; _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 191 _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 2015-11-25 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 DBJ BAB25897 . "unnamed protein product [Mus musculus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 2 no DBJ BAB31173 . "unnamed protein product [Mus musculus]" . . . . . 100.00 191 97.38 99.48 5.66e-132 . . . . 18386 1 3 no DBJ BAC26923 . "unnamed protein product [Mus musculus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 4 no DBJ BAC26966 . "unnamed protein product [Mus musculus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 5 no DBJ BAC28107 . "unnamed protein product [Mus musculus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 6 no EMBL CAA67960 . "HP1 alpha protein [Mus musculus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 7 no EMBL CAG33699 . "CBX5 [Homo sapiens]" . . . . . 100.00 191 99.48 99.48 5.86e-134 . . . . 18386 1 8 no GB AAA72327 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 5.58e-135 . . . . 18386 1 9 no GB AAB26994 . "HP1Hs alpha [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 5.58e-135 . . . . 18386 1 10 no GB AAC50553 . "HP1Hs-alpha, partial [Homo sapiens]" . . . . . 99.48 190 100.00 100.00 5.41e-134 . . . . 18386 1 11 no GB AAF80993 . "heterochromatin protein 1 alpha [Mus musculus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 12 no GB AAH04707 . "Cbx5 protein [Mus musculus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 13 no REF NP_001070257 . "chromobox protein homolog 5 [Mus musculus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 14 no REF NP_001100267 . "chromobox protein homolog 5 [Rattus norvegicus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 15 no REF NP_001103686 . "chromobox protein homolog 5 [Mus musculus]" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 16 no REF NP_001120793 . "chromobox protein homolog 5 [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 5.58e-135 . . . . 18386 1 17 no REF NP_001120794 . "chromobox protein homolog 5 [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 5.58e-135 . . . . 18386 1 18 no SP P45973 . "RecName: Full=Chromobox protein homolog 5; AltName: Full=Antigen p25; AltName: Full=Heterochromatin protein 1 homolog alpha; Sh" . . . . . 100.00 191 100.00 100.00 5.58e-135 . . . . 18386 1 19 no SP Q61686 . "RecName: Full=Chromobox protein homolog 5; AltName: Full=Heterochromatin protein 1 homolog alpha; Short=HP1 alpha" . . . . . 100.00 191 97.91 99.48 2.16e-132 . . . . 18386 1 20 no TPG DAA30037 . "TPA: chromobox homolog 5 isoform 1 [Bos taurus]" . . . . . 100.00 191 100.00 100.00 5.58e-135 . . . . 18386 1 21 no TPG DAA30038 . "TPA: chromobox homolog 5 isoform 2 [Bos taurus]" . . . . . 100.00 191 100.00 100.00 5.58e-135 . . . . 18386 1 22 no TPG DAA30039 . "TPA: chromobox homolog 5 isoform 3 [Bos taurus]" . . . . . 100.00 191 100.00 100.00 5.58e-135 . . . . 18386 1 23 no TPG DAA30040 . "TPA: chromobox homolog 5 isoform 4 [Bos taurus]" . . . . . 100.00 191 100.00 100.00 5.58e-135 . . . . 18386 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 1 MET . 18386 1 2 2 GLY . 18386 1 3 3 LYS . 18386 1 4 4 LYS . 18386 1 5 5 THR . 18386 1 6 6 LYS . 18386 1 7 7 ARG . 18386 1 8 8 THR . 18386 1 9 9 ALA . 18386 1 10 10 ASP . 18386 1 11 11 SER . 18386 1 12 12 SER . 18386 1 13 13 SER . 18386 1 14 14 SER . 18386 1 15 15 GLU . 18386 1 16 16 ASP . 18386 1 17 17 GLU . 18386 1 18 18 GLU . 18386 1 19 19 GLU . 18386 1 20 20 TYR . 18386 1 21 21 VAL . 18386 1 22 22 VAL . 18386 1 23 23 GLU . 18386 1 24 24 LYS . 18386 1 25 25 VAL . 18386 1 26 26 LEU . 18386 1 27 27 ASP . 18386 1 28 28 ARG . 18386 1 29 29 ARG . 18386 1 30 30 VAL . 18386 1 31 31 VAL . 18386 1 32 32 LYS . 18386 1 33 33 GLY . 18386 1 34 34 GLN . 18386 1 35 35 VAL . 18386 1 36 36 GLU . 18386 1 37 37 TYR . 18386 1 38 38 LEU . 18386 1 39 39 LEU . 18386 1 40 40 LYS . 18386 1 41 41 TRP . 18386 1 42 42 LYS . 18386 1 43 43 GLY . 18386 1 44 44 PHE . 18386 1 45 45 SER . 18386 1 46 46 GLU . 18386 1 47 47 GLU . 18386 1 48 48 HIS . 18386 1 49 49 ASN . 18386 1 50 50 THR . 18386 1 51 51 TRP . 18386 1 52 52 GLU . 18386 1 53 53 PRO . 18386 1 54 54 GLU . 18386 1 55 55 LYS . 18386 1 56 56 ASN . 18386 1 57 57 LEU . 18386 1 58 58 ASP . 18386 1 59 59 CYS . 18386 1 60 60 PRO . 18386 1 61 61 GLU . 18386 1 62 62 LEU . 18386 1 63 63 ILE . 18386 1 64 64 SER . 18386 1 65 65 GLU . 18386 1 66 66 PHE . 18386 1 67 67 MET . 18386 1 68 68 LYS . 18386 1 69 69 LYS . 18386 1 70 70 TYR . 18386 1 71 71 LYS . 18386 1 72 72 LYS . 18386 1 73 73 MET . 18386 1 74 74 LYS . 18386 1 75 75 GLU . 18386 1 76 76 GLY . 18386 1 77 77 GLU . 18386 1 78 78 ASN . 18386 1 79 79 ASN . 18386 1 80 80 LYS . 18386 1 81 81 PRO . 18386 1 82 82 ARG . 18386 1 83 83 GLU . 18386 1 84 84 LYS . 18386 1 85 85 SER . 18386 1 86 86 GLU . 18386 1 87 87 SER . 18386 1 88 88 ASN . 18386 1 89 89 LYS . 18386 1 90 90 ARG . 18386 1 91 91 LYS . 18386 1 92 92 SER . 18386 1 93 93 ASN . 18386 1 94 94 PHE . 18386 1 95 95 SER . 18386 1 96 96 ASN . 18386 1 97 97 SER . 18386 1 98 98 ALA . 18386 1 99 99 ASP . 18386 1 100 100 ASP . 18386 1 101 101 ILE . 18386 1 102 102 LYS . 18386 1 103 103 SER . 18386 1 104 104 LYS . 18386 1 105 105 LYS . 18386 1 106 106 LYS . 18386 1 107 107 ARG . 18386 1 108 108 GLU . 18386 1 109 109 GLN . 18386 1 110 110 SER . 18386 1 111 111 ASN . 18386 1 112 112 ASP . 18386 1 113 113 ILE . 18386 1 114 114 ALA . 18386 1 115 115 ARG . 18386 1 116 116 GLY . 18386 1 117 117 PHE . 18386 1 118 118 GLU . 18386 1 119 119 ARG . 18386 1 120 120 GLY . 18386 1 121 121 LEU . 18386 1 122 122 GLU . 18386 1 123 123 PRO . 18386 1 124 124 GLU . 18386 1 125 125 LYS . 18386 1 126 126 ILE . 18386 1 127 127 ILE . 18386 1 128 128 GLY . 18386 1 129 129 ALA . 18386 1 130 130 THR . 18386 1 131 131 ASP . 18386 1 132 132 SER . 18386 1 133 133 CYS . 18386 1 134 134 GLY . 18386 1 135 135 ASP . 18386 1 136 136 LEU . 18386 1 137 137 MET . 18386 1 138 138 PHE . 18386 1 139 139 LEU . 18386 1 140 140 MET . 18386 1 141 141 LYS . 18386 1 142 142 TRP . 18386 1 143 143 LYS . 18386 1 144 144 ASP . 18386 1 145 145 THR . 18386 1 146 146 ASP . 18386 1 147 147 GLU . 18386 1 148 148 ALA . 18386 1 149 149 ASP . 18386 1 150 150 LEU . 18386 1 151 151 VAL . 18386 1 152 152 LEU . 18386 1 153 153 ALA . 18386 1 154 154 LYS . 18386 1 155 155 GLU . 18386 1 156 156 ALA . 18386 1 157 157 ASN . 18386 1 158 158 VAL . 18386 1 159 159 LYS . 18386 1 160 160 CYS . 18386 1 161 161 PRO . 18386 1 162 162 GLN . 18386 1 163 163 ILE . 18386 1 164 164 VAL . 18386 1 165 165 ILE . 18386 1 166 166 ALA . 18386 1 167 167 PHE . 18386 1 168 168 TYR . 18386 1 169 169 GLU . 18386 1 170 170 GLU . 18386 1 171 171 ARG . 18386 1 172 172 LEU . 18386 1 173 173 THR . 18386 1 174 174 TRP . 18386 1 175 175 HIS . 18386 1 176 176 ALA . 18386 1 177 177 TYR . 18386 1 178 178 PRO . 18386 1 179 179 GLU . 18386 1 180 180 ASP . 18386 1 181 181 ALA . 18386 1 182 182 GLU . 18386 1 183 183 ASN . 18386 1 184 184 LYS . 18386 1 185 185 GLU . 18386 1 186 186 LYS . 18386 1 187 187 GLU . 18386 1 188 188 THR . 18386 1 189 189 ALA . 18386 1 190 190 LYS . 18386 1 191 191 SER . 18386 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18386 1 . GLY 2 2 18386 1 . LYS 3 3 18386 1 . LYS 4 4 18386 1 . THR 5 5 18386 1 . LYS 6 6 18386 1 . ARG 7 7 18386 1 . THR 8 8 18386 1 . ALA 9 9 18386 1 . ASP 10 10 18386 1 . SER 11 11 18386 1 . SER 12 12 18386 1 . SER 13 13 18386 1 . SER 14 14 18386 1 . GLU 15 15 18386 1 . ASP 16 16 18386 1 . GLU 17 17 18386 1 . GLU 18 18 18386 1 . GLU 19 19 18386 1 . TYR 20 20 18386 1 . VAL 21 21 18386 1 . VAL 22 22 18386 1 . GLU 23 23 18386 1 . LYS 24 24 18386 1 . VAL 25 25 18386 1 . LEU 26 26 18386 1 . ASP 27 27 18386 1 . ARG 28 28 18386 1 . ARG 29 29 18386 1 . VAL 30 30 18386 1 . VAL 31 31 18386 1 . LYS 32 32 18386 1 . GLY 33 33 18386 1 . GLN 34 34 18386 1 . VAL 35 35 18386 1 . GLU 36 36 18386 1 . TYR 37 37 18386 1 . LEU 38 38 18386 1 . LEU 39 39 18386 1 . LYS 40 40 18386 1 . TRP 41 41 18386 1 . LYS 42 42 18386 1 . GLY 43 43 18386 1 . PHE 44 44 18386 1 . SER 45 45 18386 1 . GLU 46 46 18386 1 . GLU 47 47 18386 1 . HIS 48 48 18386 1 . ASN 49 49 18386 1 . THR 50 50 18386 1 . TRP 51 51 18386 1 . GLU 52 52 18386 1 . PRO 53 53 18386 1 . GLU 54 54 18386 1 . LYS 55 55 18386 1 . ASN 56 56 18386 1 . LEU 57 57 18386 1 . ASP 58 58 18386 1 . CYS 59 59 18386 1 . PRO 60 60 18386 1 . GLU 61 61 18386 1 . LEU 62 62 18386 1 . ILE 63 63 18386 1 . SER 64 64 18386 1 . GLU 65 65 18386 1 . PHE 66 66 18386 1 . MET 67 67 18386 1 . LYS 68 68 18386 1 . LYS 69 69 18386 1 . TYR 70 70 18386 1 . LYS 71 71 18386 1 . LYS 72 72 18386 1 . MET 73 73 18386 1 . LYS 74 74 18386 1 . GLU 75 75 18386 1 . GLY 76 76 18386 1 . GLU 77 77 18386 1 . ASN 78 78 18386 1 . ASN 79 79 18386 1 . LYS 80 80 18386 1 . PRO 81 81 18386 1 . ARG 82 82 18386 1 . GLU 83 83 18386 1 . LYS 84 84 18386 1 . SER 85 85 18386 1 . GLU 86 86 18386 1 . SER 87 87 18386 1 . ASN 88 88 18386 1 . LYS 89 89 18386 1 . ARG 90 90 18386 1 . LYS 91 91 18386 1 . SER 92 92 18386 1 . ASN 93 93 18386 1 . PHE 94 94 18386 1 . SER 95 95 18386 1 . ASN 96 96 18386 1 . SER 97 97 18386 1 . ALA 98 98 18386 1 . ASP 99 99 18386 1 . ASP 100 100 18386 1 . ILE 101 101 18386 1 . LYS 102 102 18386 1 . SER 103 103 18386 1 . LYS 104 104 18386 1 . LYS 105 105 18386 1 . LYS 106 106 18386 1 . ARG 107 107 18386 1 . GLU 108 108 18386 1 . GLN 109 109 18386 1 . SER 110 110 18386 1 . ASN 111 111 18386 1 . ASP 112 112 18386 1 . ILE 113 113 18386 1 . ALA 114 114 18386 1 . ARG 115 115 18386 1 . GLY 116 116 18386 1 . PHE 117 117 18386 1 . GLU 118 118 18386 1 . ARG 119 119 18386 1 . GLY 120 120 18386 1 . LEU 121 121 18386 1 . GLU 122 122 18386 1 . PRO 123 123 18386 1 . GLU 124 124 18386 1 . LYS 125 125 18386 1 . ILE 126 126 18386 1 . ILE 127 127 18386 1 . GLY 128 128 18386 1 . ALA 129 129 18386 1 . THR 130 130 18386 1 . ASP 131 131 18386 1 . SER 132 132 18386 1 . CYS 133 133 18386 1 . GLY 134 134 18386 1 . ASP 135 135 18386 1 . LEU 136 136 18386 1 . MET 137 137 18386 1 . PHE 138 138 18386 1 . LEU 139 139 18386 1 . MET 140 140 18386 1 . LYS 141 141 18386 1 . TRP 142 142 18386 1 . LYS 143 143 18386 1 . ASP 144 144 18386 1 . THR 145 145 18386 1 . ASP 146 146 18386 1 . GLU 147 147 18386 1 . ALA 148 148 18386 1 . ASP 149 149 18386 1 . LEU 150 150 18386 1 . VAL 151 151 18386 1 . LEU 152 152 18386 1 . ALA 153 153 18386 1 . LYS 154 154 18386 1 . GLU 155 155 18386 1 . ALA 156 156 18386 1 . ASN 157 157 18386 1 . VAL 158 158 18386 1 . LYS 159 159 18386 1 . CYS 160 160 18386 1 . PRO 161 161 18386 1 . GLN 162 162 18386 1 . ILE 163 163 18386 1 . VAL 164 164 18386 1 . ILE 165 165 18386 1 . ALA 166 166 18386 1 . PHE 167 167 18386 1 . TYR 168 168 18386 1 . GLU 169 169 18386 1 . GLU 170 170 18386 1 . ARG 171 171 18386 1 . LEU 172 172 18386 1 . THR 173 173 18386 1 . TRP 174 174 18386 1 . HIS 175 175 18386 1 . ALA 176 176 18386 1 . TYR 177 177 18386 1 . PRO 178 178 18386 1 . GLU 179 179 18386 1 . ASP 180 180 18386 1 . ALA 181 181 18386 1 . GLU 182 182 18386 1 . ASN 183 183 18386 1 . LYS 184 184 18386 1 . GLU 185 185 18386 1 . LYS 186 186 18386 1 . GLU 187 187 18386 1 . THR 188 188 18386 1 . ALA 189 189 18386 1 . LYS 190 190 18386 1 . SER 191 191 18386 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 18386 _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 $HP1_CSDalpha(109-185) . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18386 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 18386 _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 $HP1_CSDalpha(109-185) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX2T . . . . . . 18386 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18386 _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 HP1_CSDalpha(109-185) '[U-95% 15N]' . . 1 $HP1_CSDalpha(109-185) . . 0.5 . . mM . . . . 18386 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18386 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18386 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18386 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18386 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18386 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18386 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 18386 1 pH 8.0 . pH 18386 1 pressure 1 . atm 18386 1 temperature 298 . K 18386 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 18386 _Software.ID 1 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 18386 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18386 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18386 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18386 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18386 2 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 18386 _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_ 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 18386 _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 DRX . 600 . . . 18386 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 18386 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18386 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18386 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18386 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 18386 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18386 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18386 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 18386 _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' . . . 18386 1 2 '3D 1H-15N TOCSY' . . . 18386 1 3 '3D 1H-15N NOESY' . . . 18386 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 1 113 113 ILE H H 1 7.797 0.002 . 1 . . . . 113 ILE H . 18386 1 2 . 1 1 113 113 ILE N N 15 118.025 0.020 . 1 . . . . 113 ILE N . 18386 1 3 . 1 1 114 114 ALA H H 1 8.155 0.002 . 1 . . . . 114 ALA H . 18386 1 4 . 1 1 114 114 ALA N N 15 126.659 0.020 . 1 . . . . 114 ALA N . 18386 1 5 . 1 1 115 115 ARG H H 1 8.308 0.002 . 1 . . . . 115 ARG H . 18386 1 6 . 1 1 115 115 ARG N N 15 120.066 0.020 . 1 . . . . 115 ARG N . 18386 1 7 . 1 1 116 116 GLY H H 1 8.715 0.002 . 1 . . . . 116 GLY H . 18386 1 8 . 1 1 116 116 GLY N N 15 108.036 0.020 . 1 . . . . 116 GLY N . 18386 1 9 . 1 1 117 117 PHE H H 1 9.523 0.002 . 1 . . . . 117 PHE H . 18386 1 10 . 1 1 117 117 PHE N N 15 122.559 0.020 . 1 . . . . 117 PHE N . 18386 1 11 . 1 1 118 118 GLU H H 1 8.273 0.002 . 1 . . . . 118 GLU H . 18386 1 12 . 1 1 118 118 GLU N N 15 118.608 0.020 . 1 . . . . 118 GLU N . 18386 1 13 . 1 1 119 119 ARG H H 1 7.222 0.002 . 1 . . . . 119 ARG H . 18386 1 14 . 1 1 119 119 ARG N N 15 115.566 0.020 . 1 . . . . 119 ARG N . 18386 1 15 . 1 1 120 120 GLY H H 1 7.443 0.002 . 1 . . . . 120 GLY H . 18386 1 16 . 1 1 120 120 GLY N N 15 104.223 0.020 . 1 . . . . 120 GLY N . 18386 1 17 . 1 1 121 121 LEU H H 1 7.627 0.002 . 1 . . . . 121 LEU H . 18386 1 18 . 1 1 121 121 LEU N N 15 119.699 0.020 . 1 . . . . 121 LEU N . 18386 1 19 . 1 1 122 122 GLU H H 1 9.062 0.002 . 1 . . . . 122 GLU H . 18386 1 20 . 1 1 122 122 GLU N N 15 122.104 0.020 . 1 . . . . 122 GLU N . 18386 1 21 . 1 1 124 124 GLU H H 1 8.810 0.002 . 1 . . . . 124 GLU H . 18386 1 22 . 1 1 124 124 GLU N N 15 121.118 0.020 . 1 . . . . 124 GLU N . 18386 1 23 . 1 1 125 125 LYS H H 1 7.602 0.002 . 1 . . . . 125 LYS H . 18386 1 24 . 1 1 125 125 LYS N N 15 114.172 0.020 . 1 . . . . 125 LYS N . 18386 1 25 . 1 1 126 126 ILE H H 1 8.093 0.002 . 1 . . . . 126 ILE H . 18386 1 26 . 1 1 126 126 ILE N N 15 124.052 0.020 . 1 . . . . 126 ILE N . 18386 1 27 . 1 1 127 127 ILE H H 1 8.713 0.002 . 1 . . . . 127 ILE H . 18386 1 28 . 1 1 127 127 ILE N N 15 119.918 0.020 . 1 . . . . 127 ILE N . 18386 1 29 . 1 1 128 128 GLY H H 1 7.194 0.002 . 1 . . . . 128 GLY H . 18386 1 30 . 1 1 128 128 GLY N N 15 107.972 0.020 . 1 . . . . 128 GLY N . 18386 1 31 . 1 1 129 129 ALA H H 1 8.605 0.002 . 1 . . . . 129 ALA H . 18386 1 32 . 1 1 129 129 ALA N N 15 122.102 0.020 . 1 . . . . 129 ALA N . 18386 1 33 . 1 1 130 130 THR H H 1 8.796 0.002 . 1 . . . . 130 THR H . 18386 1 34 . 1 1 130 130 THR N N 15 114.421 0.020 . 1 . . . . 130 THR N . 18386 1 35 . 1 1 131 131 ASP H H 1 8.230 0.002 . 1 . . . . 131 ASP H . 18386 1 36 . 1 1 131 131 ASP N N 15 125.100 0.020 . 1 . . . . 131 ASP N . 18386 1 37 . 1 1 132 132 SER H H 1 8.471 0.002 . 1 . . . . 132 SER H . 18386 1 38 . 1 1 132 132 SER N N 15 117.800 0.020 . 1 . . . . 132 SER N . 18386 1 39 . 1 1 134 134 GLY H H 1 8.452 0.002 . 1 . . . . 134 GLY H . 18386 1 40 . 1 1 134 134 GLY N N 15 108.831 0.020 . 1 . . . . 134 GLY N . 18386 1 41 . 1 1 135 135 ASP H H 1 7.693 0.002 . 1 . . . . 135 ASP H . 18386 1 42 . 1 1 135 135 ASP N N 15 120.340 0.020 . 1 . . . . 135 ASP N . 18386 1 43 . 1 1 136 136 LEU H H 1 8.321 0.002 . 1 . . . . 136 LEU H . 18386 1 44 . 1 1 136 136 LEU N N 15 123.371 0.020 . 1 . . . . 136 LEU N . 18386 1 45 . 1 1 137 137 MET H H 1 8.905 0.002 . 1 . . . . 137 MET H . 18386 1 46 . 1 1 137 137 MET N N 15 125.615 0.020 . 1 . . . . 137 MET N . 18386 1 47 . 1 1 138 138 PHE H H 1 8.949 0.002 . 1 . . . . 138 PHE H . 18386 1 48 . 1 1 138 138 PHE N N 15 116.500 0.020 . 1 . . . . 138 PHE N . 18386 1 49 . 1 1 139 139 LEU H H 1 8.297 0.002 . 1 . . . . 139 LEU H . 18386 1 50 . 1 1 139 139 LEU N N 15 123.868 0.020 . 1 . . . . 139 LEU N . 18386 1 51 . 1 1 140 140 MET H H 1 8.843 0.002 . 1 . . . . 140 MET H . 18386 1 52 . 1 1 140 140 MET N N 15 130.086 0.020 . 1 . . . . 140 MET N . 18386 1 53 . 1 1 141 141 LYS H H 1 8.512 0.002 . 1 . . . . 141 LYS H . 18386 1 54 . 1 1 141 141 LYS N N 15 126.113 0.002 . 1 . . . . 141 LYS N . 18386 1 55 . 1 1 142 142 TRP H H 1 8.227 0.002 . 1 . . . . 142 TRP H . 18386 1 56 . 1 1 142 142 TRP HE1 H 1 11.242 0.002 . 1 . . . . 142 TRP HE1 . 18386 1 57 . 1 1 142 142 TRP N N 15 129.770 0.020 . 1 . . . . 142 TRP N . 18386 1 58 . 1 1 142 142 TRP NE1 N 15 131.874 0.020 . 1 . . . . 142 TRP NE1 . 18386 1 59 . 1 1 143 143 LYS H H 1 9.097 0.002 . 1 . . . . 143 LYS H . 18386 1 60 . 1 1 143 143 LYS N N 15 121.992 0.020 . 1 . . . . 143 LYS N . 18386 1 61 . 1 1 144 144 ASP H H 1 9.211 0.002 . 1 . . . . 144 ASP H . 18386 1 62 . 1 1 144 144 ASP N N 15 118.082 0.020 . 1 . . . . 144 ASP N . 18386 1 63 . 1 1 145 145 THR H H 1 7.525 0.002 . 1 . . . . 145 THR H . 18386 1 64 . 1 1 145 145 THR N N 15 111.426 0.020 . 1 . . . . 145 THR N . 18386 1 65 . 1 1 146 146 ASP H H 1 8.603 0.002 . 1 . . . . 146 ASP H . 18386 1 66 . 1 1 146 146 ASP N N 15 124.374 0.020 . 1 . . . . 146 ASP N . 18386 1 67 . 1 1 147 147 GLU H H 1 8.209 0.002 . 1 . . . . 147 GLU H . 18386 1 68 . 1 1 147 147 GLU N N 15 120.308 0.020 . 1 . . . . 147 GLU N . 18386 1 69 . 1 1 148 148 ALA H H 1 8.104 0.002 . 1 . . . . 148 ALA H . 18386 1 70 . 1 1 148 148 ALA N N 15 125.047 0.020 . 1 . . . . 148 ALA N . 18386 1 71 . 1 1 149 149 ASP H H 1 8.222 0.002 . 1 . . . . 149 ASP H . 18386 1 72 . 1 1 149 149 ASP N N 15 117.135 0.020 . 1 . . . . 149 ASP N . 18386 1 73 . 1 1 150 150 LEU H H 1 8.562 0.002 . 1 . . . . 150 LEU H . 18386 1 74 . 1 1 150 150 LEU N N 15 120.998 0.020 . 1 . . . . 150 LEU N . 18386 1 75 . 1 1 151 151 VAL H H 1 9.188 0.002 . 1 . . . . 151 VAL H . 18386 1 76 . 1 1 151 151 VAL N N 15 114.323 0.020 . 1 . . . . 151 VAL N . 18386 1 77 . 1 1 152 152 LEU H H 1 9.448 0.002 . 1 . . . . 152 LEU H . 18386 1 78 . 1 1 152 152 LEU N N 15 123.696 0.020 . 1 . . . . 152 LEU N . 18386 1 79 . 1 1 153 153 ALA H H 1 8.760 0.002 . 1 . . . . 153 ALA H . 18386 1 80 . 1 1 153 153 ALA N N 15 129.510 0.020 . 1 . . . . 153 ALA N . 18386 1 81 . 1 1 154 154 LYS H H 1 8.463 0.002 . 1 . . . . 154 LYS H . 18386 1 82 . 1 1 154 154 LYS N N 15 112.043 0.020 . 1 . . . . 154 LYS N . 18386 1 83 . 1 1 155 155 GLU H H 1 6.913 0.002 . 1 . . . . 155 GLU H . 18386 1 84 . 1 1 155 155 GLU N N 15 116.310 0.020 . 1 . . . . 155 GLU N . 18386 1 85 . 1 1 156 156 ALA H H 1 8.364 0.002 . 1 . . . . 156 ALA H . 18386 1 86 . 1 1 156 156 ALA N N 15 123.408 0.020 . 1 . . . . 156 ALA N . 18386 1 87 . 1 1 157 157 ASN H H 1 9.337 0.009 . 1 . . . . 157 ASN H . 18386 1 88 . 1 1 157 157 ASN HD21 H 1 6.726 0.002 . 1 . . . . 157 ASN HD21 . 18386 1 89 . 1 1 157 157 ASN HD22 H 1 6.979 0.002 . 1 . . . . 157 ASN HD22 . 18386 1 90 . 1 1 157 157 ASN N N 15 114.679 0.020 . 1 . . . . 157 ASN N . 18386 1 91 . 1 1 157 157 ASN ND2 N 15 105.060 0.020 . 1 . . . . 157 ASN ND2 . 18386 1 92 . 1 1 158 158 VAL H H 1 6.639 0.002 . 1 . . . . 158 VAL H . 18386 1 93 . 1 1 158 158 VAL N N 15 109.810 0.020 . 1 . . . . 158 VAL N . 18386 1 94 . 1 1 159 159 LYS H H 1 8.290 0.002 . 1 . . . . 159 LYS H . 18386 1 95 . 1 1 159 159 LYS N N 15 120.301 0.020 . 1 . . . . 159 LYS N . 18386 1 96 . 1 1 160 160 CYS H H 1 9.171 0.002 . 1 . . . . 160 CYS H . 18386 1 97 . 1 1 160 160 CYS N N 15 113.080 0.020 . 1 . . . . 160 CYS N . 18386 1 98 . 1 1 162 162 GLN H H 1 8.942 0.006 . 1 . . . . 162 GLN H . 18386 1 99 . 1 1 162 162 GLN HE21 H 1 7.742 0.002 . 1 . . . . 162 GLN HE21 . 18386 1 100 . 1 1 162 162 GLN HE22 H 1 7.155 0.002 . 1 . . . . 162 GLN HE22 . 18386 1 101 . 1 1 162 162 GLN N N 15 112.747 0.020 . 1 . . . . 162 GLN N . 18386 1 102 . 1 1 162 162 GLN NE2 N 15 112.741 0.020 . 1 . . . . 162 GLN NE2 . 18386 1 103 . 1 1 163 163 ILE H H 1 7.286 0.002 . 1 . . . . 163 ILE H . 18386 1 104 . 1 1 163 163 ILE N N 15 122.265 0.020 . 1 . . . . 163 ILE N . 18386 1 105 . 1 1 164 164 VAL H H 1 7.202 0.002 . 1 . . . . 164 VAL H . 18386 1 106 . 1 1 164 164 VAL N N 15 122.321 0.020 . 1 . . . . 164 VAL N . 18386 1 107 . 1 1 165 165 ILE H H 1 8.666 0.002 . 1 . . . . 165 ILE H . 18386 1 108 . 1 1 165 165 ILE N N 15 118.256 0.020 . 1 . . . . 165 ILE N . 18386 1 109 . 1 1 166 166 ALA H H 1 7.572 0.002 . 1 . . . . 166 ALA H . 18386 1 110 . 1 1 166 166 ALA N N 15 118.947 0.020 . 1 . . . . 166 ALA N . 18386 1 111 . 1 1 167 167 PHE H H 1 7.202 0.002 . 1 . . . . 167 PHE H . 18386 1 112 . 1 1 167 167 PHE N N 15 118.123 0.020 . 1 . . . . 167 PHE N . 18386 1 113 . 1 1 168 168 TYR H H 1 7.678 0.002 . 1 . . . . 168 TYR H . 18386 1 114 . 1 1 168 168 TYR N N 15 119.262 0.020 . 1 . . . . 168 TYR N . 18386 1 115 . 1 1 169 169 GLU H H 1 8.951 0.002 . 1 . . . . 169 GLU H . 18386 1 116 . 1 1 169 169 GLU N N 15 118.156 0.020 . 1 . . . . 169 GLU N . 18386 1 117 . 1 1 170 170 GLU H H 1 7.477 0.002 . 1 . . . . 170 GLU H . 18386 1 118 . 1 1 170 170 GLU N N 15 117.543 0.020 . 1 . . . . 170 GLU N . 18386 1 119 . 1 1 171 171 ARG H H 1 7.432 0.002 . 1 . . . . 171 ARG H . 18386 1 120 . 1 1 171 171 ARG N N 15 116.482 0.020 . 1 . . . . 171 ARG N . 18386 1 121 . 1 1 172 172 LEU H H 1 7.781 0.002 . 1 . . . . 172 LEU H . 18386 1 122 . 1 1 172 172 LEU N N 15 120.083 0.020 . 1 . . . . 172 LEU N . 18386 1 123 . 1 1 173 173 THR H H 1 7.727 0.002 . 1 . . . . 173 THR H . 18386 1 124 . 1 1 173 173 THR N N 15 112.483 0.020 . 1 . . . . 173 THR N . 18386 1 125 . 1 1 174 174 TRP H H 1 8.004 0.002 . 1 . . . . 174 TRP H . 18386 1 126 . 1 1 174 174 TRP HE1 H 1 10.266 0.002 . 1 . . . . 174 TRP HE1 . 18386 1 127 . 1 1 174 174 TRP N N 15 121.343 0.020 . 1 . . . . 174 TRP N . 18386 1 128 . 1 1 174 174 TRP NE1 N 15 129.212 0.020 . 1 . . . . 174 TRP NE1 . 18386 1 129 . 1 1 179 179 GLU H H 1 8.554 0.002 . 1 . . . . 179 GLU H . 18386 1 130 . 1 1 179 179 GLU N N 15 120.887 0.020 . 1 . . . . 179 GLU N . 18386 1 131 . 1 1 180 180 ASP H H 1 8.381 0.002 . 1 . . . . 180 ASP H . 18386 1 132 . 1 1 180 180 ASP N N 15 121.063 0.020 . 1 . . . . 180 ASP N . 18386 1 133 . 1 1 181 181 ALA H H 1 8.199 0.002 . 1 . . . . 181 ALA H . 18386 1 134 . 1 1 181 181 ALA N N 15 124.095 0.020 . 1 . . . . 181 ALA N . 18386 1 135 . 1 1 182 182 GLU H H 1 8.355 0.002 . 1 . . . . 182 GLU H . 18386 1 136 . 1 1 182 182 GLU N N 15 119.130 0.020 . 1 . . . . 182 GLU N . 18386 1 137 . 1 1 183 183 ASN H H 1 8.403 0.002 . 1 . . . . 183 ASN H . 18386 1 138 . 1 1 183 183 ASN N N 15 119.452 0.020 . 1 . . . . 183 ASN N . 18386 1 139 . 1 1 184 184 LYS H H 1 8.279 0.002 . 1 . . . . 184 LYS H . 18386 1 140 . 1 1 184 184 LYS N N 15 122.350 0.020 . 1 . . . . 184 LYS N . 18386 1 141 . 1 1 185 185 GLU H H 1 8.038 0.002 . 1 . . . . 185 GLU H . 18386 1 142 . 1 1 185 185 GLU N N 15 126.863 0.020 . 1 . . . . 185 GLU N . 18386 1 stop_ save_