data_52976 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52976 _Entry.Title ; phosphorylated Heterochromatin protein 1 alpha solution-state NMR assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-21 _Entry.Accession_date 2025-03-21 _Entry.Last_release_date 2025-03-21 _Entry.Original_release_date 2025-03-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ziwei Zhai . . . . 52976 2 Xiangyan Shi . . . . 52976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 237 52976 '15N chemical shifts' 113 52976 '1H chemical shifts' 113 52976 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 . . 2025-12-11 . original BMRB . 52976 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52976 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41372631 _Citation.DOI 10.1038/s42003-025-09236-9 _Citation.Full_citation . _Citation.Title ; Revealing site-specific molecular features mediating contacts of heterochromatin protein 1 Alpha (HP1Alpha) and the interactions with chromatin and DNA in LLPS environments ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 1758 _Citation.Page_last 1758 _Citation.Year 2025 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ziwei Zhai Z. . . . 52976 1 2 Aghil Soman A. . . . 52976 1 3 Jinglei Kuang J. . . . 52976 1 4 Jiayi Guo J. . . . 52976 1 5 Yinglu Chen Y. . . . 52976 1 6 Lei Zhao L. . . . 52976 1 7 Chinmayi Prasanna C. . . . 52976 1 8 'Dhira Anindya' Putri D. A. . . 52976 1 9 Grigory Glukhov G. S. . . 52976 1 10 Choon-Peng Chng C. P. . . 52976 1 11 Changjin Huang C. . . . 52976 1 12 Lars Nordenskiold L. . . . 52976 1 13 Kai Xue K. . . . 52976 1 14 Xiangyan Shi X. . . . 52976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52976 _Assembly.ID 1 _Assembly.Name 'Phosphorylated Heterochromatin Protein 1 alpha' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Phosphorylated Heterochromatin Protein 1 alpha' 1 $entity_1 . . yes native no no . . . 52976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52976 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 1 _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 . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52976 1 2 . GLY . 52976 1 3 . LYS . 52976 1 4 . LYS . 52976 1 5 . THR . 52976 1 6 . LYS . 52976 1 7 . ARG . 52976 1 8 . THR . 52976 1 9 . ALA . 52976 1 10 . ASP . 52976 1 11 . SER . 52976 1 12 . SER . 52976 1 13 . SER . 52976 1 14 . SER . 52976 1 15 . GLU . 52976 1 16 . ASP . 52976 1 17 . GLU . 52976 1 18 . GLU . 52976 1 19 . GLU . 52976 1 20 . TYR . 52976 1 21 . VAL . 52976 1 22 . VAL . 52976 1 23 . GLU . 52976 1 24 . LYS . 52976 1 25 . VAL . 52976 1 26 . LEU . 52976 1 27 . ASP . 52976 1 28 . ARG . 52976 1 29 . ARG . 52976 1 30 . VAL . 52976 1 31 . VAL . 52976 1 32 . LYS . 52976 1 33 . GLY . 52976 1 34 . GLN . 52976 1 35 . VAL . 52976 1 36 . GLU . 52976 1 37 . TYR . 52976 1 38 . LEU . 52976 1 39 . LEU . 52976 1 40 . LYS . 52976 1 41 . TRP . 52976 1 42 . LYS . 52976 1 43 . GLY . 52976 1 44 . PHE . 52976 1 45 . SER . 52976 1 46 . GLU . 52976 1 47 . GLU . 52976 1 48 . HIS . 52976 1 49 . ASN . 52976 1 50 . THR . 52976 1 51 . TRP . 52976 1 52 . GLU . 52976 1 53 . PRO . 52976 1 54 . GLU . 52976 1 55 . LYS . 52976 1 56 . ASN . 52976 1 57 . LEU . 52976 1 58 . ASP . 52976 1 59 . CYS . 52976 1 60 . PRO . 52976 1 61 . GLU . 52976 1 62 . LEU . 52976 1 63 . ILE . 52976 1 64 . SER . 52976 1 65 . GLU . 52976 1 66 . PHE . 52976 1 67 . MET . 52976 1 68 . LYS . 52976 1 69 . LYS . 52976 1 70 . TYR . 52976 1 71 . LYS . 52976 1 72 . LYS . 52976 1 73 . MET . 52976 1 74 . LYS . 52976 1 75 . GLU . 52976 1 76 . GLY . 52976 1 77 . GLU . 52976 1 78 . ASN . 52976 1 79 . ASN . 52976 1 80 . LYS . 52976 1 81 . PRO . 52976 1 82 . ARG . 52976 1 83 . GLU . 52976 1 84 . LYS . 52976 1 85 . SER . 52976 1 86 . GLU . 52976 1 87 . SER . 52976 1 88 . ASN . 52976 1 89 . LYS . 52976 1 90 . ARG . 52976 1 91 . LYS . 52976 1 92 . SER . 52976 1 93 . ASN . 52976 1 94 . PHE . 52976 1 95 . SER . 52976 1 96 . ASN . 52976 1 97 . SER . 52976 1 98 . ALA . 52976 1 99 . ASP . 52976 1 100 . ASP . 52976 1 101 . ILE . 52976 1 102 . LYS . 52976 1 103 . SER . 52976 1 104 . LYS . 52976 1 105 . LYS . 52976 1 106 . LYS . 52976 1 107 . ARG . 52976 1 108 . GLU . 52976 1 109 . GLN . 52976 1 110 . SER . 52976 1 111 . ASN . 52976 1 112 . ASP . 52976 1 113 . ILE . 52976 1 114 . ALA . 52976 1 115 . ARG . 52976 1 116 . GLY . 52976 1 117 . PHE . 52976 1 118 . GLU . 52976 1 119 . ARG . 52976 1 120 . GLY . 52976 1 121 . LEU . 52976 1 122 . GLU . 52976 1 123 . PRO . 52976 1 124 . GLU . 52976 1 125 . LYS . 52976 1 126 . ILE . 52976 1 127 . ILE . 52976 1 128 . GLY . 52976 1 129 . ALA . 52976 1 130 . THR . 52976 1 131 . ASP . 52976 1 132 . SER . 52976 1 133 . CYS . 52976 1 134 . GLY . 52976 1 135 . ASP . 52976 1 136 . LEU . 52976 1 137 . MET . 52976 1 138 . PHE . 52976 1 139 . LEU . 52976 1 140 . MET . 52976 1 141 . LYS . 52976 1 142 . TRP . 52976 1 143 . LYS . 52976 1 144 . ASP . 52976 1 145 . THR . 52976 1 146 . ASP . 52976 1 147 . GLU . 52976 1 148 . ALA . 52976 1 149 . ASP . 52976 1 150 . LEU . 52976 1 151 . VAL . 52976 1 152 . LEU . 52976 1 153 . ALA . 52976 1 154 . LYS . 52976 1 155 . GLU . 52976 1 156 . ALA . 52976 1 157 . ASN . 52976 1 158 . VAL . 52976 1 159 . LYS . 52976 1 160 . CYS . 52976 1 161 . PRO . 52976 1 162 . GLN . 52976 1 163 . ILE . 52976 1 164 . VAL . 52976 1 165 . ILE . 52976 1 166 . ALA . 52976 1 167 . PHE . 52976 1 168 . TYR . 52976 1 169 . GLU . 52976 1 170 . GLU . 52976 1 171 . ARG . 52976 1 172 . LEU . 52976 1 173 . THR . 52976 1 174 . TRP . 52976 1 175 . HIS . 52976 1 176 . ALA . 52976 1 177 . TYR . 52976 1 178 . PRO . 52976 1 179 . GLU . 52976 1 180 . ASP . 52976 1 181 . ALA . 52976 1 182 . GLU . 52976 1 183 . ASN . 52976 1 184 . LYS . 52976 1 185 . GLU . 52976 1 186 . LYS . 52976 1 187 . GLU . 52976 1 188 . THR . 52976 1 189 . ALA . 52976 1 190 . LYS . 52976 1 191 . SER . 52976 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 52976 1 . GLY 2 2 52976 1 . LYS 3 3 52976 1 . LYS 4 4 52976 1 . THR 5 5 52976 1 . LYS 6 6 52976 1 . ARG 7 7 52976 1 . THR 8 8 52976 1 . ALA 9 9 52976 1 . ASP 10 10 52976 1 . SER 11 11 52976 1 . SER 12 12 52976 1 . SER 13 13 52976 1 . SER 14 14 52976 1 . GLU 15 15 52976 1 . ASP 16 16 52976 1 . GLU 17 17 52976 1 . GLU 18 18 52976 1 . GLU 19 19 52976 1 . TYR 20 20 52976 1 . VAL 21 21 52976 1 . VAL 22 22 52976 1 . GLU 23 23 52976 1 . LYS 24 24 52976 1 . VAL 25 25 52976 1 . LEU 26 26 52976 1 . ASP 27 27 52976 1 . ARG 28 28 52976 1 . ARG 29 29 52976 1 . VAL 30 30 52976 1 . VAL 31 31 52976 1 . LYS 32 32 52976 1 . GLY 33 33 52976 1 . GLN 34 34 52976 1 . VAL 35 35 52976 1 . GLU 36 36 52976 1 . TYR 37 37 52976 1 . LEU 38 38 52976 1 . LEU 39 39 52976 1 . LYS 40 40 52976 1 . TRP 41 41 52976 1 . LYS 42 42 52976 1 . GLY 43 43 52976 1 . PHE 44 44 52976 1 . SER 45 45 52976 1 . GLU 46 46 52976 1 . GLU 47 47 52976 1 . HIS 48 48 52976 1 . ASN 49 49 52976 1 . THR 50 50 52976 1 . TRP 51 51 52976 1 . GLU 52 52 52976 1 . PRO 53 53 52976 1 . GLU 54 54 52976 1 . LYS 55 55 52976 1 . ASN 56 56 52976 1 . LEU 57 57 52976 1 . ASP 58 58 52976 1 . CYS 59 59 52976 1 . PRO 60 60 52976 1 . GLU 61 61 52976 1 . LEU 62 62 52976 1 . ILE 63 63 52976 1 . SER 64 64 52976 1 . GLU 65 65 52976 1 . PHE 66 66 52976 1 . MET 67 67 52976 1 . LYS 68 68 52976 1 . LYS 69 69 52976 1 . TYR 70 70 52976 1 . LYS 71 71 52976 1 . LYS 72 72 52976 1 . MET 73 73 52976 1 . LYS 74 74 52976 1 . GLU 75 75 52976 1 . GLY 76 76 52976 1 . GLU 77 77 52976 1 . ASN 78 78 52976 1 . ASN 79 79 52976 1 . LYS 80 80 52976 1 . PRO 81 81 52976 1 . ARG 82 82 52976 1 . GLU 83 83 52976 1 . LYS 84 84 52976 1 . SER 85 85 52976 1 . GLU 86 86 52976 1 . SER 87 87 52976 1 . ASN 88 88 52976 1 . LYS 89 89 52976 1 . ARG 90 90 52976 1 . LYS 91 91 52976 1 . SER 92 92 52976 1 . ASN 93 93 52976 1 . PHE 94 94 52976 1 . SER 95 95 52976 1 . ASN 96 96 52976 1 . SER 97 97 52976 1 . ALA 98 98 52976 1 . ASP 99 99 52976 1 . ASP 100 100 52976 1 . ILE 101 101 52976 1 . LYS 102 102 52976 1 . SER 103 103 52976 1 . LYS 104 104 52976 1 . LYS 105 105 52976 1 . LYS 106 106 52976 1 . ARG 107 107 52976 1 . GLU 108 108 52976 1 . GLN 109 109 52976 1 . SER 110 110 52976 1 . ASN 111 111 52976 1 . ASP 112 112 52976 1 . ILE 113 113 52976 1 . ALA 114 114 52976 1 . ARG 115 115 52976 1 . GLY 116 116 52976 1 . PHE 117 117 52976 1 . GLU 118 118 52976 1 . ARG 119 119 52976 1 . GLY 120 120 52976 1 . LEU 121 121 52976 1 . GLU 122 122 52976 1 . PRO 123 123 52976 1 . GLU 124 124 52976 1 . LYS 125 125 52976 1 . ILE 126 126 52976 1 . ILE 127 127 52976 1 . GLY 128 128 52976 1 . ALA 129 129 52976 1 . THR 130 130 52976 1 . ASP 131 131 52976 1 . SER 132 132 52976 1 . CYS 133 133 52976 1 . GLY 134 134 52976 1 . ASP 135 135 52976 1 . LEU 136 136 52976 1 . MET 137 137 52976 1 . PHE 138 138 52976 1 . LEU 139 139 52976 1 . MET 140 140 52976 1 . LYS 141 141 52976 1 . TRP 142 142 52976 1 . LYS 143 143 52976 1 . ASP 144 144 52976 1 . THR 145 145 52976 1 . ASP 146 146 52976 1 . GLU 147 147 52976 1 . ALA 148 148 52976 1 . ASP 149 149 52976 1 . LEU 150 150 52976 1 . VAL 151 151 52976 1 . LEU 152 152 52976 1 . ALA 153 153 52976 1 . LYS 154 154 52976 1 . GLU 155 155 52976 1 . ALA 156 156 52976 1 . ASN 157 157 52976 1 . VAL 158 158 52976 1 . LYS 159 159 52976 1 . CYS 160 160 52976 1 . PRO 161 161 52976 1 . GLN 162 162 52976 1 . ILE 163 163 52976 1 . VAL 164 164 52976 1 . ILE 165 165 52976 1 . ALA 166 166 52976 1 . PHE 167 167 52976 1 . TYR 168 168 52976 1 . GLU 169 169 52976 1 . GLU 170 170 52976 1 . ARG 171 171 52976 1 . LEU 172 172 52976 1 . THR 173 173 52976 1 . TRP 174 174 52976 1 . HIS 175 175 52976 1 . ALA 176 176 52976 1 . TYR 177 177 52976 1 . PRO 178 178 52976 1 . GLU 179 179 52976 1 . ASP 180 180 52976 1 . ALA 181 181 52976 1 . GLU 182 182 52976 1 . ASN 183 183 52976 1 . LYS 184 184 52976 1 . GLU 185 185 52976 1 . LYS 186 186 52976 1 . GLU 187 187 52976 1 . THR 188 188 52976 1 . ALA 189 189 52976 1 . LYS 190 190 52976 1 . SER 191 191 52976 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52976 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52976 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52976 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pNIC28-Bsa4 . . . 52976 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52976 _Sample.ID 1 _Sample.Name 'Phosphorylated Heterochromatin Protein 1 alpha' _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 'phosphorylated Heterochromatin protein 1 alpha' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.45 0.4 0.5 mM . . . . 52976 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 52976 1 3 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 52976 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 52976 1 5 NaN3 'natural abundance' . . . . . . 0.04 . . % . . . . 52976 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 52976 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room temperature' _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' 0.15 . M 52976 1 pH 7.5 . pH 52976 1 pressure 1 . atm 52976 1 temperature 298 . K 52976 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52976 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52976 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52976 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52976 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52976 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz NMR' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52976 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52976 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52976 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52976 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52976 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52976 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52976 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52976 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'phosphorylated Heterochromatin protein 1 alpha_Chem_shift_reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52976 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52976 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52976 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52976 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '_Assigned_phosphorylated Heterochromatin protein 1 alpha_list.Name' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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' . . . 52976 1 2 '3D HNCO' . . . 52976 1 3 '3D HNCA' . . . 52976 1 4 '3D HN(CA)CO' . . . 52976 1 5 '3D HN(CO)CA' . . . 52976 1 6 '3D HNCACB' . . . 52976 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 1 $software_1 . . 52976 1 2 $software_2 . . 52976 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET CA C 13 55.72244589 0.01715444401 . 1 . . . . . 1 MET CA . 52976 1 2 . 1 . 1 2 2 GLY H H 1 8.556998111 0.003484567482 . 1 . . . . . 2 GLY H . 52976 1 3 . 1 . 1 2 2 GLY CA C 13 45.22057455 0.04279424243 . 1 . . . . . 2 GLY CA . 52976 1 4 . 1 . 1 2 2 GLY N N 15 109.6880016 0.006750604784 . 1 . . . . . 2 GLY N . 52976 1 5 . 1 . 1 3 3 LYS H H 1 8.187348797 0.005778571705 . 1 . . . . . 3 LYS H . 52976 1 6 . 1 . 1 3 3 LYS C C 13 176.7246161 0 . 1 . . . . . 3 LYS C . 52976 1 7 . 1 . 1 3 3 LYS CA C 13 56.26066581 0.03954004823 . 1 . . . . . 3 LYS CA . 52976 1 8 . 1 . 1 3 3 LYS N N 15 121.0392455 0.0608924787 . 1 . . . . . 3 LYS N . 52976 1 9 . 1 . 1 4 4 LYS H H 1 8.332755563 0.004472754543 . 1 . . . . . 4 LYS H . 52976 1 10 . 1 . 1 4 4 LYS C C 13 174.1377996 0 . 1 . . . . . 4 LYS C . 52976 1 11 . 1 . 1 4 4 LYS CA C 13 56.98279683 0.6052936264 . 1 . . . . . 4 LYS CA . 52976 1 12 . 1 . 1 4 4 LYS N N 15 122.6891341 0.02778234643 . 1 . . . . . 4 LYS N . 52976 1 13 . 1 . 1 5 5 THR H H 1 8.453454826 0.01015671376 . 1 . . . . . 5 THR H . 52976 1 14 . 1 . 1 5 5 THR C C 13 174.1380527 0 . 1 . . . . . 5 THR C . 52976 1 15 . 1 . 1 5 5 THR CA C 13 61.69282242 0.0713133473 . 1 . . . . . 5 THR CA . 52976 1 16 . 1 . 1 5 5 THR N N 15 114.4840326 0.1125776409 . 1 . . . . . 5 THR N . 52976 1 17 . 1 . 1 6 6 LYS H H 1 8.403331075 0.01329774235 . 1 . . . . . 6 LYS H . 52976 1 18 . 1 . 1 6 6 LYS C C 13 176.1214691 0.2046982497 . 1 . . . . . 6 LYS C . 52976 1 19 . 1 . 1 6 6 LYS CA C 13 56.15047647 0.03068666791 . 1 . . . . . 6 LYS CA . 52976 1 20 . 1 . 1 6 6 LYS CB C 13 33.16689221 0 . 1 . . . . . 6 LYS CB . 52976 1 21 . 1 . 1 6 6 LYS N N 15 124.3631141 0.04306661753 . 1 . . . . . 6 LYS N . 52976 1 22 . 1 . 1 7 7 ARG H H 1 8.397361098 0.004261608294 . 1 . . . . . 7 ARG H . 52976 1 23 . 1 . 1 7 7 ARG C C 13 175.4501788 0 . 1 . . . . . 7 ARG C . 52976 1 24 . 1 . 1 7 7 ARG CA C 13 56.39630285 0.004875684402 . 1 . . . . . 7 ARG CA . 52976 1 25 . 1 . 1 7 7 ARG CB C 13 30.37604721 0 . 1 . . . . . 7 ARG CB . 52976 1 26 . 1 . 1 7 7 ARG N N 15 121.781806 0.02807203219 . 1 . . . . . 7 ARG N . 52976 1 27 . 1 . 1 8 8 THR H H 1 8.368739884 0.008543884793 . 1 . . . . . 8 THR H . 52976 1 28 . 1 . 1 8 8 THR C C 13 174.4487265 0 . 1 . . . . . 8 THR C . 52976 1 29 . 1 . 1 8 8 THR CA C 13 61.88744007 0 . 1 . . . . . 8 THR CA . 52976 1 30 . 1 . 1 8 8 THR CB C 13 69.59943904 0 . 1 . . . . . 8 THR CB . 52976 1 31 . 1 . 1 8 8 THR N N 15 116.6962173 0.09571824507 . 1 . . . . . 8 THR N . 52976 1 32 . 1 . 1 9 9 ALA H H 1 8.436879887 0.0177278291 . 1 . . . . . 9 ALA H . 52976 1 33 . 1 . 1 9 9 ALA C C 13 177.5471971 0.2353586642 . 1 . . . . . 9 ALA C . 52976 1 34 . 1 . 1 9 9 ALA CA C 13 52.80582742 0.07352272274 . 1 . . . . . 9 ALA CA . 52976 1 35 . 1 . 1 9 9 ALA CB C 13 19.07254927 0 . 1 . . . . . 9 ALA CB . 52976 1 36 . 1 . 1 9 9 ALA N N 15 124.2373534 0.07866880093 . 1 . . . . . 9 ALA N . 52976 1 37 . 1 . 1 10 10 ASP H H 1 8.153586875 0.02031084335 . 1 . . . . . 10 ASP H . 52976 1 38 . 1 . 1 10 10 ASP C C 13 176.3722442 0 . 1 . . . . . 10 ASP C . 52976 1 39 . 1 . 1 10 10 ASP CA C 13 54.58458006 0.1620760759 . 1 . . . . . 10 ASP CA . 52976 1 40 . 1 . 1 10 10 ASP CB C 13 40.93372666 0 . 1 . . . . . 10 ASP CB . 52976 1 41 . 1 . 1 10 10 ASP N N 15 118.7596412 0.6389501147 . 1 . . . . . 10 ASP N . 52976 1 42 . 1 . 1 11 11 SER H H 1 8.37590277 0.002816171519 . 1 . . . . . 11 SER H . 52976 1 43 . 1 . 1 11 11 SER C C 13 174.0992724 0 . 1 . . . . . 11 SER C . 52976 1 44 . 1 . 1 11 11 SER CA C 13 57.6294313 0 . 1 . . . . . 11 SER CA . 52976 1 45 . 1 . 1 11 11 SER CB C 13 65.65414682 0 . 1 . . . . . 11 SER CB . 52976 1 46 . 1 . 1 11 11 SER N N 15 116.5179818 0.08458179344 . 1 . . . . . 11 SER N . 52976 1 47 . 1 . 1 12 12 SER H H 1 8.856141876 0.008969125903 . 1 . . . . . 12 SER H . 52976 1 48 . 1 . 1 12 12 SER CA C 13 57.56970754 0 . 1 . . . . . 12 SER CA . 52976 1 49 . 1 . 1 12 12 SER N N 15 118.6282096 0.01650080969 . 1 . . . . . 12 SER N . 52976 1 50 . 1 . 1 13 13 SER H H 1 8.876785839 0.001736514106 . 1 . . . . . 13 SER H . 52976 1 51 . 1 . 1 13 13 SER C C 13 174.1865588 0 . 1 . . . . . 13 SER C . 52976 1 52 . 1 . 1 13 13 SER CA C 13 61.92611636 0 . 1 . . . . . 13 SER CA . 52976 1 53 . 1 . 1 13 13 SER CB C 13 65.87622634 0 . 1 . . . . . 13 SER CB . 52976 1 54 . 1 . 1 13 13 SER N N 15 119.2403547 0.0145619672 . 1 . . . . . 13 SER N . 52976 1 55 . 1 . 1 14 14 SER H H 1 8.966747483 0.00238838894 . 1 . . . . . 14 SER H . 52976 1 56 . 1 . 1 14 14 SER C C 13 174.1844628 0 . 1 . . . . . 14 SER C . 52976 1 57 . 1 . 1 14 14 SER CA C 13 57.6387179 0 . 1 . . . . . 14 SER CA . 52976 1 58 . 1 . 1 14 14 SER N N 15 119.2259867 0.08789085699 . 1 . . . . . 14 SER N . 52976 1 59 . 1 . 1 15 15 GLU H H 1 8.629224429 0.003738525143 . 1 . . . . . 15 GLU H . 52976 1 60 . 1 . 1 15 15 GLU C C 13 175.9969665 0.03146641301 . 1 . . . . . 15 GLU C . 52976 1 61 . 1 . 1 15 15 GLU CA C 13 56.57931603 0.6397599262 . 1 . . . . . 15 GLU CA . 52976 1 62 . 1 . 1 15 15 GLU CB C 13 30.63355159 0 . 1 . . . . . 15 GLU CB . 52976 1 63 . 1 . 1 15 15 GLU N N 15 122.9661603 0.008703660568 . 1 . . . . . 15 GLU N . 52976 1 64 . 1 . 1 16 16 ASP H H 1 8.239570114 0.002974599737 . 1 . . . . . 16 ASP H . 52976 1 65 . 1 . 1 16 16 ASP C C 13 176.047359 0.004716150049 . 1 . . . . . 16 ASP C . 52976 1 66 . 1 . 1 16 16 ASP CA C 13 54.34380593 0.002794961712 . 1 . . . . . 16 ASP CA . 52976 1 67 . 1 . 1 16 16 ASP CB C 13 41.19123103 0 . 1 . . . . . 16 ASP CB . 52976 1 68 . 1 . 1 16 16 ASP N N 15 120.5404147 0.1274263912 . 1 . . . . . 16 ASP N . 52976 1 69 . 1 . 1 17 17 GLU H H 1 8.240072351 0.004258611992 . 1 . . . . . 17 GLU H . 52976 1 70 . 1 . 1 17 17 GLU C C 13 175.407763 0 . 1 . . . . . 17 GLU C . 52976 1 71 . 1 . 1 17 17 GLU CA C 13 56.32512691 0.01945437725 . 1 . . . . . 17 GLU CA . 52976 1 72 . 1 . 1 17 17 GLU CB C 13 30.334183 0 . 1 . . . . . 17 GLU CB . 52976 1 73 . 1 . 1 17 17 GLU N N 15 120.6374624 0.01275746099 . 1 . . . . . 17 GLU N . 52976 1 74 . 1 . 1 18 18 GLU H H 1 8.243126735 0.005629577856 . 1 . . . . . 18 GLU H . 52976 1 75 . 1 . 1 18 18 GLU C C 13 176.7311178 0.009801288951 . 1 . . . . . 18 GLU C . 52976 1 76 . 1 . 1 18 18 GLU CA C 13 56.66652732 0.00438942246 . 1 . . . . . 18 GLU CA . 52976 1 77 . 1 . 1 18 18 GLU CB C 13 30.64593548 0 . 1 . . . . . 18 GLU CB . 52976 1 78 . 1 . 1 18 18 GLU N N 15 121.854466 0.03623856987 . 1 . . . . . 18 GLU N . 52976 1 79 . 1 . 1 19 19 GLU H H 1 8.188672333 0.001133470881 . 1 . . . . . 19 GLU H . 52976 1 80 . 1 . 1 19 19 GLU C C 13 175.7637079 0 . 1 . . . . . 19 GLU C . 52976 1 81 . 1 . 1 19 19 GLU CA C 13 56.32190063 0.04655235494 . 1 . . . . . 19 GLU CA . 52976 1 82 . 1 . 1 19 19 GLU CB C 13 29.77560139 0 . 1 . . . . . 19 GLU CB . 52976 1 83 . 1 . 1 19 19 GLU N N 15 121.5948856 0 . 1 . . . . . 19 GLU N . 52976 1 84 . 1 . 1 20 20 TYR H H 1 8.488011596 0.004804286877 . 1 . . . . . 20 TYR H . 52976 1 85 . 1 . 1 20 20 TYR C C 13 174.7309528 0.00679453939 . 1 . . . . . 20 TYR C . 52976 1 86 . 1 . 1 20 20 TYR CA C 13 57.84385412 0.02006506786 . 1 . . . . . 20 TYR CA . 52976 1 87 . 1 . 1 20 20 TYR CB C 13 38.56774366 0 . 1 . . . . . 20 TYR CB . 52976 1 88 . 1 . 1 20 20 TYR N N 15 123.1012296 0.1148966052 . 1 . . . . . 20 TYR N . 52976 1 89 . 1 . 1 21 21 VAL H H 1 9.42339843 0.003775952705 . 1 . . . . . 21 VAL H . 52976 1 90 . 1 . 1 21 21 VAL C C 13 175.5544878 0.003607665612 . 1 . . . . . 21 VAL C . 52976 1 91 . 1 . 1 21 21 VAL CA C 13 61.21628627 0 . 1 . . . . . 21 VAL CA . 52976 1 92 . 1 . 1 21 21 VAL N N 15 125.2795492 0.08085237482 . 1 . . . . . 21 VAL N . 52976 1 93 . 1 . 1 22 22 VAL H H 1 8.858626288 0.001098827073 . 1 . . . . . 22 VAL H . 52976 1 94 . 1 . 1 22 22 VAL C C 13 174.6851983 0.01944940609 . 1 . . . . . 22 VAL C . 52976 1 95 . 1 . 1 22 22 VAL CA C 13 64.56990718 0.01563001611 . 1 . . . . . 22 VAL CA . 52976 1 96 . 1 . 1 22 22 VAL N N 15 129.0747302 0.02962269328 . 1 . . . . . 22 VAL N . 52976 1 97 . 1 . 1 23 23 GLU H H 1 9.356269261 0.004406157327 . 1 . . . . . 23 GLU H . 52976 1 98 . 1 . 1 23 23 GLU C C 13 175.6172125 0.03626520594 . 1 . . . . . 23 GLU C . 52976 1 99 . 1 . 1 23 23 GLU CA C 13 56.88437307 0.0002537257643 . 1 . . . . . 23 GLU CA . 52976 1 100 . 1 . 1 23 23 GLU N N 15 126.984252 0.0832549518 . 1 . . . . . 23 GLU N . 52976 1 101 . 1 . 1 24 24 LYS H H 1 7.578759474 0.001220247018 . 1 . . . . . 24 LYS H . 52976 1 102 . 1 . 1 24 24 LYS C C 13 172.6223696 0.03146641313 . 1 . . . . . 24 LYS C . 52976 1 103 . 1 . 1 24 24 LYS CA C 13 55.37486173 0.0190610932 . 1 . . . . . 24 LYS CA . 52976 1 104 . 1 . 1 24 24 LYS N N 15 114.7972182 0.07061635768 . 1 . . . . . 24 LYS N . 52976 1 105 . 1 . 1 25 25 VAL H H 1 8.359406942 0.003306083098 . 1 . . . . . 25 VAL H . 52976 1 106 . 1 . 1 25 25 VAL C C 13 174.9635382 0.03376787947 . 1 . . . . . 25 VAL C . 52976 1 107 . 1 . 1 25 25 VAL CA C 13 61.60505287 0.03066834521 . 1 . . . . . 25 VAL CA . 52976 1 108 . 1 . 1 25 25 VAL N N 15 123.2580917 0.06333768891 . 1 . . . . . 25 VAL N . 52976 1 109 . 1 . 1 26 26 LEU H H 1 9.017461861 0.004920478234 . 1 . . . . . 26 LEU H . 52976 1 110 . 1 . 1 26 26 LEU C C 13 176.5388473 0.01091435137 . 1 . . . . . 26 LEU C . 52976 1 111 . 1 . 1 26 26 LEU CA C 13 55.5004769 0.02277742333 . 1 . . . . . 26 LEU CA . 52976 1 112 . 1 . 1 26 26 LEU N N 15 123.6986101 0.04311880299 . 1 . . . . . 26 LEU N . 52976 1 113 . 1 . 1 27 27 ASP H H 1 7.168432402 0.002047805097 . 1 . . . . . 27 ASP H . 52976 1 114 . 1 . 1 27 27 ASP C C 13 172.7161084 0.03146641295 . 1 . . . . . 27 ASP C . 52976 1 115 . 1 . 1 27 27 ASP CA C 13 52.91900314 0.02067042461 . 1 . . . . . 27 ASP CA . 52976 1 116 . 1 . 1 27 27 ASP N N 15 114.8032256 0.04950239502 . 1 . . . . . 27 ASP N . 52976 1 117 . 1 . 1 28 28 ARG H H 1 9.559248704 0.003624645574 . 1 . . . . . 28 ARG H . 52976 1 118 . 1 . 1 28 28 ARG C C 13 173.5128882 0.01540298918 . 1 . . . . . 28 ARG C . 52976 1 119 . 1 . 1 28 28 ARG CA C 13 54.85352821 0.03795154707 . 1 . . . . . 28 ARG CA . 52976 1 120 . 1 . 1 28 28 ARG N N 15 122.3372259 0.09652496223 . 1 . . . . . 28 ARG N . 52976 1 121 . 1 . 1 29 29 ARG H H 1 9.274746801 0.001642782601 . 1 . . . . . 29 ARG H . 52976 1 122 . 1 . 1 29 29 ARG C C 13 171.8593378 0.01834507627 . 1 . . . . . 29 ARG C . 52976 1 123 . 1 . 1 29 29 ARG CA C 13 54.09144258 0.02067042462 . 1 . . . . . 29 ARG CA . 52976 1 124 . 1 . 1 29 29 ARG N N 15 123.9299648 0.05879705259 . 1 . . . . . 29 ARG N . 52976 1 125 . 1 . 1 30 30 VAL H H 1 8.225893277 0.005650439996 . 1 . . . . . 30 VAL H . 52976 1 126 . 1 . 1 30 30 VAL C C 13 175.9877084 0.0005977917867 . 1 . . . . . 30 VAL C . 52976 1 127 . 1 . 1 30 30 VAL CA C 13 61.03637601 0.006870345133 . 1 . . . . . 30 VAL CA . 52976 1 128 . 1 . 1 30 30 VAL N N 15 119.4469489 0.1445485613 . 1 . . . . . 30 VAL N . 52976 1 129 . 1 . 1 31 31 VAL H H 1 8.816503913 0.005196298216 . 1 . . . . . 31 VAL H . 52976 1 130 . 1 . 1 31 31 VAL C C 13 174.6424928 1.919405981 . 1 . . . . . 31 VAL C . 52976 1 131 . 1 . 1 31 31 VAL N N 15 127.1881697 0.05030160725 . 1 . . . . . 31 VAL N . 52976 1 132 . 1 . 1 32 32 LYS H H 1 8.740608457 0.00342234521 . 1 . . . . . 32 LYS H . 52976 1 133 . 1 . 1 32 32 LYS C C 13 176.6529434 0 . 1 . . . . . 32 LYS C . 52976 1 134 . 1 . 1 32 32 LYS CA C 13 57.00187074 0 . 1 . . . . . 32 LYS CA . 52976 1 135 . 1 . 1 32 32 LYS N N 15 122.1096108 0.0000013 . 1 . . . . . 32 LYS N . 52976 1 136 . 1 . 1 33 33 GLY H H 1 8.28036932 0.007018401115 . 1 . . . . . 33 GLY H . 52976 1 137 . 1 . 1 33 33 GLY C C 13 173.3284514 0.01844378316 . 1 . . . . . 33 GLY C . 52976 1 138 . 1 . 1 33 33 GLY CA C 13 45.33379714 0.0249068178 . 1 . . . . . 33 GLY CA . 52976 1 139 . 1 . 1 33 33 GLY N N 15 103.0763976 0.08386684369 . 1 . . . . . 33 GLY N . 52976 1 140 . 1 . 1 34 34 GLN H H 1 7.930190914 0.002320846174 . 1 . . . . . 34 GLN H . 52976 1 141 . 1 . 1 34 34 GLN C C 13 173.9907536 0.006231644548 . 1 . . . . . 34 GLN C . 52976 1 142 . 1 . 1 34 34 GLN CA C 13 53.86214726 0.01547785039 . 1 . . . . . 34 GLN CA . 52976 1 143 . 1 . 1 34 34 GLN CB C 13 30.63355159 0 . 1 . . . . . 34 GLN CB . 52976 1 144 . 1 . 1 34 34 GLN N N 15 120.4178725 0.06400431415 . 1 . . . . . 34 GLN N . 52976 1 145 . 1 . 1 35 35 VAL H H 1 8.73748436 0.003373745977 . 1 . . . . . 35 VAL H . 52976 1 146 . 1 . 1 35 35 VAL C C 13 176.040942 0.01250905238 . 1 . . . . . 35 VAL C . 52976 1 147 . 1 . 1 35 35 VAL CA C 13 62.94690955 0.006948026352 . 1 . . . . . 35 VAL CA . 52976 1 148 . 1 . 1 35 35 VAL CB C 13 30.63191311 0 . 1 . . . . . 35 VAL CB . 52976 1 149 . 1 . 1 35 35 VAL N N 15 125.5987694 0.06051116936 . 1 . . . . . 35 VAL N . 52976 1 150 . 1 . 1 36 36 GLU H H 1 9.161288285 0.002548689381 . 1 . . . . . 36 GLU H . 52976 1 151 . 1 . 1 36 36 GLU C C 13 174.1690598 0.01540298918 . 1 . . . . . 36 GLU C . 52976 1 152 . 1 . 1 36 36 GLU CA C 13 53.97419863 0.02067042461 . 1 . . . . . 36 GLU CA . 52976 1 153 . 1 . 1 36 36 GLU N N 15 126.9889431 0.08425356375 . 1 . . . . . 36 GLU N . 52976 1 154 . 1 . 1 37 37 TYR H H 1 8.918712013 0.003992048435 . 1 . . . . . 37 TYR H . 52976 1 155 . 1 . 1 37 37 TYR C C 13 173.3049764 0 . 1 . . . . . 37 TYR C . 52976 1 156 . 1 . 1 37 37 TYR CA C 13 56.78805328 0.02067042461 . 1 . . . . . 37 TYR CA . 52976 1 157 . 1 . 1 37 37 TYR N N 15 117.1457867 0.06872063392 . 1 . . . . . 37 TYR N . 52976 1 158 . 1 . 1 38 38 LEU H H 1 7.352041882 0.005006375775 . 1 . . . . . 38 LEU H . 52976 1 159 . 1 . 1 38 38 LEU C C 13 174.1485584 0 . 1 . . . . . 38 LEU C . 52976 1 160 . 1 . 1 38 38 LEU CA C 13 53.13764128 0.03652017678 . 1 . . . . . 38 LEU CA . 52976 1 161 . 1 . 1 38 38 LEU N N 15 126.0211665 0.05418856186 . 1 . . . . . 38 LEU N . 52976 1 162 . 1 . 1 39 39 LEU H H 1 8.718223177 0.006632030947 . 1 . . . . . 39 LEU H . 52976 1 163 . 1 . 1 39 39 LEU C C 13 174.3349987 0 . 1 . . . . . 39 LEU C . 52976 1 164 . 1 . 1 39 39 LEU CA C 13 53.25691645 0.008306928469 . 1 . . . . . 39 LEU CA . 52976 1 165 . 1 . 1 39 39 LEU N N 15 128.1515741 0.06614464615 . 1 . . . . . 39 LEU N . 52976 1 166 . 1 . 1 40 40 LYS H H 1 7.589489712 0.002969570235 . 1 . . . . . 40 LYS H . 52976 1 167 . 1 . 1 40 40 LYS C C 13 175.6469807 0.01212315742 . 1 . . . . . 40 LYS C . 52976 1 168 . 1 . 1 40 40 LYS CA C 13 53.31782077 0.01082103885 . 1 . . . . . 40 LYS CA . 52976 1 169 . 1 . 1 40 40 LYS N N 15 118.5996566 0.0000013 . 1 . . . . . 40 LYS N . 52976 1 170 . 1 . 1 41 41 TRP H H 1 9.284729817 0.002448939055 . 1 . . . . . 41 TRP H . 52976 1 171 . 1 . 1 41 41 TRP C C 13 176.9343024 0.0335479163 . 1 . . . . . 41 TRP C . 52976 1 172 . 1 . 1 41 41 TRP CA C 13 55.55338824 0.0279737079 . 1 . . . . . 41 TRP CA . 52976 1 173 . 1 . 1 41 41 TRP N N 15 131.1824047 0.09169759625 . 1 . . . . . 41 TRP N . 52976 1 174 . 1 . 1 42 42 LYS H H 1 9.489206529 0.001635520629 . 1 . . . . . 42 LYS H . 52976 1 175 . 1 . 1 42 42 LYS C C 13 178.1066051 0.01591844808 . 1 . . . . . 42 LYS C . 52976 1 176 . 1 . 1 42 42 LYS CA C 13 58.12991196 0.04439821074 . 1 . . . . . 42 LYS CA . 52976 1 177 . 1 . 1 42 42 LYS N N 15 125.5638649 0.04670655748 . 1 . . . . . 42 LYS N . 52976 1 178 . 1 . 1 43 43 GLY H H 1 9.332982814 0.005389895935 . 1 . . . . . 43 GLY H . 52976 1 179 . 1 . 1 43 43 GLY CA C 13 45.12228091 0.03795154707 . 1 . . . . . 43 GLY CA . 52976 1 180 . 1 . 1 43 43 GLY N N 15 113.8999151 0.09360413311 . 1 . . . . . 43 GLY N . 52976 1 181 . 1 . 1 44 44 PHE H H 1 7.779484315 0.003315308847 . 1 . . . . . 44 PHE H . 52976 1 182 . 1 . 1 44 44 PHE C C 13 175.3551683 0.04789897116 . 1 . . . . . 44 PHE C . 52976 1 183 . 1 . 1 44 44 PHE CA C 13 56.78805328 0.02067042461 . 1 . . . . . 44 PHE CA . 52976 1 184 . 1 . 1 44 44 PHE N N 15 118.2832311 0.01050190782 . 1 . . . . . 44 PHE N . 52976 1 185 . 1 . 1 45 45 SER H H 1 8.903963677 0.003927169969 . 1 . . . . . 45 SER H . 52976 1 186 . 1 . 1 45 45 SER C C 13 175.1011668 0.291338308 . 1 . . . . . 45 SER C . 52976 1 187 . 1 . 1 45 45 SER CA C 13 58.09216109 0.05829300026 . 1 . . . . . 45 SER CA . 52976 1 188 . 1 . 1 45 45 SER N N 15 116.6339782 0.0001854792349 . 1 . . . . . 45 SER N . 52976 1 189 . 1 . 1 46 46 GLU H H 1 9.166359472 0.001771719735 . 1 . . . . . 46 GLU H . 52976 1 190 . 1 . 1 46 46 GLU C C 13 174.5222059 0 . 1 . . . . . 46 GLU C . 52976 1 191 . 1 . 1 46 46 GLU CA C 13 58.45013891 0 . 1 . . . . . 46 GLU CA . 52976 1 192 . 1 . 1 46 46 GLU N N 15 119.7210033 0.06464832494 . 1 . . . . . 46 GLU N . 52976 1 193 . 1 . 1 47 47 GLU H H 1 8.849999856 0.002854584134 . 1 . . . . . 47 GLU H . 52976 1 194 . 1 . 1 47 47 GLU C C 13 177.0749628 0.01540298906 . 1 . . . . . 47 GLU C . 52976 1 195 . 1 . 1 47 47 GLU CA C 13 58.72257834 0.03795154706 . 1 . . . . . 47 GLU CA . 52976 1 196 . 1 . 1 47 47 GLU N N 15 121.3494786 0.05299162043 . 1 . . . . . 47 GLU N . 52976 1 197 . 1 . 1 48 48 HIS H H 1 8.228549336 0.004041140091 . 1 . . . . . 48 HIS H . 52976 1 198 . 1 . 1 48 48 HIS C C 13 174.1690598 0.01540298918 . 1 . . . . . 48 HIS C . 52976 1 199 . 1 . 1 48 48 HIS CA C 13 55.96734567 0.02067042461 . 1 . . . . . 48 HIS CA . 52976 1 200 . 1 . 1 48 48 HIS N N 15 117.532923 0.09885931266 . 1 . . . . . 48 HIS N . 52976 1 201 . 1 . 1 49 49 ASN H H 1 7.501133191 0.0005203899906 . 1 . . . . . 49 ASN H . 52976 1 202 . 1 . 1 49 49 ASN C C 13 177.0280934 0.03146641307 . 1 . . . . . 49 ASN C . 52976 1 203 . 1 . 1 49 49 ASN CA C 13 54.32901686 0.02375682461 . 1 . . . . . 49 ASN CA . 52976 1 204 . 1 . 1 49 49 ASN N N 15 120.1964157 0.05864733195 . 1 . . . . . 49 ASN N . 52976 1 205 . 1 . 1 50 50 THR H H 1 7.872435777 0.0001669820054 . 1 . . . . . 50 THR H . 52976 1 206 . 1 . 1 50 50 THR C C 13 172.9658584 0 . 1 . . . . . 50 THR C . 52976 1 207 . 1 . 1 50 50 THR CA C 13 59.73982228 0 . 1 . . . . . 50 THR CA . 52976 1 208 . 1 . 1 50 50 THR N N 15 111.7498158 0.06826373114 . 1 . . . . . 50 THR N . 52976 1 209 . 1 . 1 51 51 TRP H H 1 8.457182028 0.001963046341 . 1 . . . . . 51 TRP H . 52976 1 210 . 1 . 1 51 51 TRP C C 13 177.3232154 0.009432242243 . 1 . . . . . 51 TRP C . 52976 1 211 . 1 . 1 51 51 TRP CA C 13 55.92713356 0 . 1 . . . . . 51 TRP CA . 52976 1 212 . 1 . 1 51 51 TRP N N 15 122.0655312 0.05996507934 . 1 . . . . . 51 TRP N . 52976 1 213 . 1 . 1 52 52 GLU H H 1 9.509640261 0.002929342238 . 1 . . . . . 52 GLU H . 52976 1 214 . 1 . 1 52 52 GLU C C 13 174.1769782 0 . 1 . . . . . 52 GLU C . 52976 1 215 . 1 . 1 52 52 GLU CA C 13 51.88447808 0 . 1 . . . . . 52 GLU CA . 52976 1 216 . 1 . 1 52 52 GLU N N 15 123.204659 0.004430464193 . 1 . . . . . 52 GLU N . 52976 1 217 . 1 . 1 53 53 PRO C C 13 177.6219926 0 . 1 . . . . . 53 PRO C . 52976 1 218 . 1 . 1 53 53 PRO CA C 13 62.42533131 0.01110166945 . 1 . . . . . 53 PRO CA . 52976 1 219 . 1 . 1 54 54 GLU H H 1 8.764083141 0.00658300444 . 1 . . . . . 54 GLU H . 52976 1 220 . 1 . 1 54 54 GLU C C 13 178.2080536 0.02409311628 . 1 . . . . . 54 GLU C . 52976 1 221 . 1 . 1 54 54 GLU CA C 13 59.87103033 0.0139641008 . 1 . . . . . 54 GLU CA . 52976 1 222 . 1 . 1 54 54 GLU N N 15 124.3623091 0.100990524 . 1 . . . . . 54 GLU N . 52976 1 223 . 1 . 1 55 55 LYS H H 1 8.416371036 0.007203770201 . 1 . . . . . 55 LYS H . 52976 1 224 . 1 . 1 55 55 LYS C C 13 176.471877 0.02524992626 . 1 . . . . . 55 LYS C . 52976 1 225 . 1 . 1 55 55 LYS CA C 13 57.96249523 0.02267294476 . 1 . . . . . 55 LYS CA . 52976 1 226 . 1 . 1 55 55 LYS CB C 13 31.66356909 0 . 1 . . . . . 55 LYS CB . 52976 1 227 . 1 . 1 55 55 LYS N N 15 115.4486873 0.005968152391 . 1 . . . . . 55 LYS N . 52976 1 228 . 1 . 1 56 56 ASN H H 1 7.86821086 0.003155536444 . 1 . . . . . 56 ASN H . 52976 1 229 . 1 . 1 56 56 ASN C C 13 175.1064479 0.01540298906 . 1 . . . . . 56 ASN C . 52976 1 230 . 1 . 1 56 56 ASN CA C 13 52.62521316 0.03863167106 . 1 . . . . . 56 ASN CA . 52976 1 231 . 1 . 1 56 56 ASN CB C 13 38.61618727 0 . 1 . . . . . 56 ASN CB . 52976 1 232 . 1 . 1 56 56 ASN N N 15 117.378763 0.05958273673 . 1 . . . . . 56 ASN N . 52976 1 233 . 1 . 1 57 57 LEU H H 1 7.635850631 0.002275408905 . 1 . . . . . 57 LEU H . 52976 1 234 . 1 . 1 57 57 LEU C C 13 176.0830357 0.05460278345 . 1 . . . . . 57 LEU C . 52976 1 235 . 1 . 1 57 57 LEU CA C 13 54.67766229 0.02067042462 . 1 . . . . . 57 LEU CA . 52976 1 236 . 1 . 1 57 57 LEU N N 15 120.2111674 0.08778943332 . 1 . . . . . 57 LEU N . 52976 1 237 . 1 . 1 58 58 ASP H H 1 8.791270582 0.002493603019 . 1 . . . . . 58 ASP H . 52976 1 238 . 1 . 1 58 58 ASP C C 13 174.4034068 0.03146641313 . 1 . . . . . 58 ASP C . 52976 1 239 . 1 . 1 58 58 ASP CA C 13 52.47186676 0.04250981768 . 1 . . . . . 58 ASP CA . 52976 1 240 . 1 . 1 58 58 ASP N N 15 122.4973605 0.006982480844 . 1 . . . . . 58 ASP N . 52976 1 241 . 1 . 1 59 59 CYS H H 1 8.094292918 0.001457657213 . 1 . . . . . 59 CYS H . 52976 1 242 . 1 . 1 59 59 CYS C C 13 172.684642 0 . 1 . . . . . 59 CYS C . 52976 1 243 . 1 . 1 59 59 CYS CA C 13 53.76038117 0 . 1 . . . . . 59 CYS CA . 52976 1 244 . 1 . 1 59 59 CYS CB C 13 27.80100344 0 . 1 . . . . . 59 CYS CB . 52976 1 245 . 1 . 1 59 59 CYS N N 15 114.4887273 0.08349328812 . 1 . . . . . 59 CYS N . 52976 1 246 . 1 . 1 61 61 GLU C C 13 179.1348942 0.01308071499 . 1 . . . . . 61 GLU C . 52976 1 247 . 1 . 1 61 61 GLU CA C 13 59.66052989 0.03795154707 . 1 . . . . . 61 GLU CA . 52976 1 248 . 1 . 1 62 62 LEU H H 1 7.402252501 0.004833677359 . 1 . . . . . 62 LEU H . 52976 1 249 . 1 . 1 62 62 LEU C C 13 180.9727119 0.04271919374 . 1 . . . . . 62 LEU C . 52976 1 250 . 1 . 1 62 62 LEU CA C 13 57.1441685 0.01628702907 . 1 . . . . . 62 LEU CA . 52976 1 251 . 1 . 1 62 62 LEU N N 15 119.3275806 0.1079796655 . 1 . . . . . 62 LEU N . 52976 1 252 . 1 . 1 63 63 ILE H H 1 7.676826493 0.0004718251726 . 1 . . . . . 63 ILE H . 52976 1 253 . 1 . 1 63 63 ILE C C 13 177.5401297 0.01893007696 . 1 . . . . . 63 ILE C . 52976 1 254 . 1 . 1 63 63 ILE CA C 13 65.38915109 0.03675430214 . 1 . . . . . 63 ILE CA . 52976 1 255 . 1 . 1 63 63 ILE N N 15 121.1541848 0.03417741284 . 1 . . . . . 63 ILE N . 52976 1 256 . 1 . 1 64 64 SER H H 1 8.389330997 0.008053816841 . 1 . . . . . 64 SER H . 52976 1 257 . 1 . 1 64 64 SER C C 13 177.3407762 0 . 1 . . . . . 64 SER C . 52976 1 258 . 1 . 1 64 64 SER CA C 13 61.82988691 0.02101449229 . 1 . . . . . 64 SER CA . 52976 1 259 . 1 . 1 64 64 SER N N 15 115.4153392 0.01878685616 . 1 . . . . . 64 SER N . 52976 1 260 . 1 . 1 65 65 GLU H H 1 7.816465157 0.001866916971 . 1 . . . . . 65 GLU H . 52976 1 261 . 1 . 1 65 65 GLU C C 13 178.7052927 0.02136727429 . 1 . . . . . 65 GLU C . 52976 1 262 . 1 . 1 65 65 GLU CA C 13 59.29586243 0.0250159177 . 1 . . . . . 65 GLU CA . 52976 1 263 . 1 . 1 65 65 GLU N N 15 120.1816208 0.06050081492 . 1 . . . . . 65 GLU N . 52976 1 264 . 1 . 1 66 66 PHE H H 1 7.63801952 0.003144914867 . 1 . . . . . 66 PHE H . 52976 1 265 . 1 . 1 66 66 PHE C C 13 177.6516934 0.006486149852 . 1 . . . . . 66 PHE C . 52976 1 266 . 1 . 1 66 66 PHE CA C 13 61.46866277 0.002672433843 . 1 . . . . . 66 PHE CA . 52976 1 267 . 1 . 1 66 66 PHE N N 15 120.3785466 0.0000013 . 1 . . . . . 66 PHE N . 52976 1 268 . 1 . 1 67 67 MET H H 1 8.812961701 0.001604474501 . 1 . . . . . 67 MET H . 52976 1 269 . 1 . 1 67 67 MET C C 13 179.0546062 0.004274416799 . 1 . . . . . 67 MET C . 52976 1 270 . 1 . 1 67 67 MET CA C 13 56.09362624 0.009330609467 . 1 . . . . . 67 MET CA . 52976 1 271 . 1 . 1 67 67 MET N N 15 117.8086763 0.002771912436 . 1 . . . . . 67 MET N . 52976 1 272 . 1 . 1 68 68 LYS H H 1 7.870688878 0.002878367155 . 1 . . . . . 68 LYS H . 52976 1 273 . 1 . 1 68 68 LYS C C 13 178.5588691 0.0005115713845 . 1 . . . . . 68 LYS C . 52976 1 274 . 1 . 1 68 68 LYS CA C 13 59.48466397 0.02067042461 . 1 . . . . . 68 LYS CA . 52976 1 275 . 1 . 1 68 68 LYS N N 15 119.7411544 0.02478683114 . 1 . . . . . 68 LYS N . 52976 1 276 . 1 . 1 69 69 LYS H H 1 7.202397926 0.003870223144 . 1 . . . . . 69 LYS H . 52976 1 277 . 1 . 1 69 69 LYS C C 13 177.5928884 0.05991021803 . 1 . . . . . 69 LYS C . 52976 1 278 . 1 . 1 69 69 LYS CA C 13 57.72600482 0.02067042461 . 1 . . . . . 69 LYS CA . 52976 1 279 . 1 . 1 69 69 LYS CB C 13 32.17857785 0 . 1 . . . . . 69 LYS CB . 52976 1 280 . 1 . 1 69 69 LYS N N 15 117.6476382 0.108836096 . 1 . . . . . 69 LYS N . 52976 1 281 . 1 . 1 70 70 TYR H H 1 8.078382674 0.003492834517 . 1 . . . . . 70 TYR H . 52976 1 282 . 1 . 1 70 70 TYR C C 13 176.650034 0.0591682429 . 1 . . . . . 70 TYR C . 52976 1 283 . 1 . 1 70 70 TYR CA C 13 60.00488159 0.03057141996 . 1 . . . . . 70 TYR CA . 52976 1 284 . 1 . 1 70 70 TYR N N 15 121.828425 0.06235114188 . 1 . . . . . 70 TYR N . 52976 1 285 . 1 . 1 71 71 LYS H H 1 8.09189242 0.0006564729265 . 1 . . . . . 71 LYS H . 52976 1 286 . 1 . 1 71 71 LYS C C 13 177.1978931 0.01834728232 . 1 . . . . . 71 LYS C . 52976 1 287 . 1 . 1 71 71 LYS CA C 13 57.70763221 0.03904304129 . 1 . . . . . 71 LYS CA . 52976 1 288 . 1 . 1 71 71 LYS N N 15 119.7646802 0.07994228734 . 1 . . . . . 71 LYS N . 52976 1 289 . 1 . 1 72 72 LYS H H 1 7.524967518 0.002391941432 . 1 . . . . . 72 LYS H . 52976 1 290 . 1 . 1 72 72 LYS C C 13 177.7042527 0.02822746764 . 1 . . . . . 72 LYS C . 52976 1 291 . 1 . 1 72 72 LYS CA C 13 57.25702905 0.02067042461 . 1 . . . . . 72 LYS CA . 52976 1 292 . 1 . 1 72 72 LYS N N 15 119.5251267 0.03393546444 . 1 . . . . . 72 LYS N . 52976 1 293 . 1 . 1 73 73 MET H H 1 8.089607541 0.01067226327 . 1 . . . . . 73 MET H . 52976 1 294 . 1 . 1 73 73 MET C C 13 177.1691909 0.004162657191 . 1 . . . . . 73 MET C . 52976 1 295 . 1 . 1 73 73 MET CA C 13 56.73090679 0.07781691083 . 1 . . . . . 73 MET CA . 52976 1 296 . 1 . 1 73 73 MET CB C 13 30.07331206 0 . 1 . . . . . 73 MET CB . 52976 1 297 . 1 . 1 73 73 MET N N 15 120.1621959 0.1398329007 . 1 . . . . . 73 MET N . 52976 1 298 . 1 . 1 74 74 LYS H H 1 8.152610122 0.00352751907 . 1 . . . . . 74 LYS H . 52976 1 299 . 1 . 1 74 74 LYS C C 13 177.2584504 0.001506958724 . 1 . . . . . 74 LYS C . 52976 1 300 . 1 . 1 74 74 LYS CA C 13 56.48297306 0.05378216692 . 1 . . . . . 74 LYS CA . 52976 1 301 . 1 . 1 74 74 LYS N N 15 120.8487476 0.09436771602 . 1 . . . . . 74 LYS N . 52976 1 302 . 1 . 1 75 75 GLU H H 1 8.223436638 0.007173079669 . 1 . . . . . 75 GLU H . 52976 1 303 . 1 . 1 75 75 GLU C C 13 177.416545 0.01796998025 . 1 . . . . . 75 GLU C . 52976 1 304 . 1 . 1 75 75 GLU CA C 13 57.37171328 0.0232301335 . 1 . . . . . 75 GLU CA . 52976 1 305 . 1 . 1 75 75 GLU CB C 13 30.30548215 0 . 1 . . . . . 75 GLU CB . 52976 1 306 . 1 . 1 75 75 GLU N N 15 121.0450281 0.08252378149 . 1 . . . . . 75 GLU N . 52976 1 307 . 1 . 1 76 76 GLY H H 1 8.238628385 0.002147719955 . 1 . . . . . 76 GLY H . 52976 1 308 . 1 . 1 76 76 GLY C C 13 174.5235316 0.03588644717 . 1 . . . . . 76 GLY C . 52976 1 309 . 1 . 1 76 76 GLY CA C 13 45.41539077 0.02067042462 . 1 . . . . . 76 GLY CA . 52976 1 310 . 1 . 1 76 76 GLY N N 15 108.9341273 0.03612852839 . 1 . . . . . 76 GLY N . 52976 1 311 . 1 . 1 77 77 GLU H H 1 8.103034977 0.003206830562 . 1 . . . . . 77 GLU H . 52976 1 312 . 1 . 1 77 77 GLU CA C 13 53.83827164 0.9399389233 . 1 . . . . . 77 GLU CA . 52976 1 313 . 1 . 1 77 77 GLU CB C 13 29.976 0 . 1 . . . . . 77 GLU CB . 52976 1 314 . 1 . 1 77 77 GLU N N 15 120.2054038 0.0979114214 . 1 . . . . . 77 GLU N . 52976 1 315 . 1 . 1 78 78 ASN H H 1 8.340642243 0.02042482658 . 1 . . . . . 78 ASN H . 52976 1 316 . 1 . 1 78 78 ASN C C 13 176.4770345 0 . 1 . . . . . 78 ASN C . 52976 1 317 . 1 . 1 78 78 ASN CA C 13 56.90868387 0 . 1 . . . . . 78 ASN CA . 52976 1 318 . 1 . 1 78 78 ASN CB C 13 38.60240147 0 . 1 . . . . . 78 ASN CB . 52976 1 319 . 1 . 1 78 78 ASN N N 15 118.7841142 0.0877427415 . 1 . . . . . 78 ASN N . 52976 1 320 . 1 . 1 79 79 ASN H H 1 8.23658441 0.0001575069176 . 1 . . . . . 79 ASN H . 52976 1 321 . 1 . 1 79 79 ASN CA C 13 56.14736455 0.01664960766 . 1 . . . . . 79 ASN CA . 52976 1 322 . 1 . 1 79 79 ASN N N 15 120.6534451 0.02456480413 . 1 . . . . . 79 ASN N . 52976 1 323 . 1 . 1 80 80 LYS H H 1 7.959931868 0.01288323769 . 1 . . . . . 80 LYS H . 52976 1 324 . 1 . 1 80 80 LYS CA C 13 57.42514357 0 . 1 . . . . . 80 LYS CA . 52976 1 325 . 1 . 1 80 80 LYS N N 15 125.0139273 0.05654415023 . 1 . . . . . 80 LYS N . 52976 1 326 . 1 . 1 86 86 GLU H H 1 8.579318507 0.003735274784 . 1 . . . . . 86 GLU H . 52976 1 327 . 1 . 1 86 86 GLU CA C 13 56.3028891 0 . 1 . . . . . 86 GLU CA . 52976 1 328 . 1 . 1 86 86 GLU CB C 13 30.72278889 0 . 1 . . . . . 86 GLU CB . 52976 1 329 . 1 . 1 86 86 GLU N N 15 122.6003298 0.0466725516 . 1 . . . . . 86 GLU N . 52976 1 330 . 1 . 1 87 87 SER H H 1 8.229397003 0.004176783028 . 1 . . . . . 87 SER H . 52976 1 331 . 1 . 1 87 87 SER CA C 13 58.21630834 0 . 1 . . . . . 87 SER CA . 52976 1 332 . 1 . 1 87 87 SER CB C 13 63.70704237 0 . 1 . . . . . 87 SER CB . 52976 1 333 . 1 . 1 87 87 SER N N 15 116.86 0 . 1 . . . . . 87 SER N . 52976 1 334 . 1 . 1 92 92 SER H H 1 8.448839245 0.01667903678 . 1 . . . . . 92 SER H . 52976 1 335 . 1 . 1 92 92 SER CA C 13 58.21565102 0 . 1 . . . . . 92 SER CA . 52976 1 336 . 1 . 1 92 92 SER N N 15 117.6924598 0.1098031475 . 1 . . . . . 92 SER N . 52976 1 337 . 1 . 1 97 97 SER C C 13 174.4975513 0 . 1 . . . . . 97 SER C . 52976 1 338 . 1 . 1 97 97 SER CA C 13 58.61875987 0 . 1 . . . . . 97 SER CA . 52976 1 339 . 1 . 1 98 98 ALA H H 1 8.389494364 0.009433187694 . 1 . . . . . 98 ALA H . 52976 1 340 . 1 . 1 98 98 ALA CA C 13 53.12370587 0 . 1 . . . . . 98 ALA CA . 52976 1 341 . 1 . 1 98 98 ALA CB C 13 18.92534574 0 . 1 . . . . . 98 ALA CB . 52976 1 342 . 1 . 1 98 98 ALA N N 15 125.3173466 0.1277667279 . 1 . . . . . 98 ALA N . 52976 1 343 . 1 . 1 99 99 ASP H H 1 8.138204289 0.008824039334 . 1 . . . . . 99 ASP H . 52976 1 344 . 1 . 1 99 99 ASP C C 13 176.2000943 0 . 1 . . . . . 99 ASP C . 52976 1 345 . 1 . 1 99 99 ASP CA C 13 54.46384483 0 . 1 . . . . . 99 ASP CA . 52976 1 346 . 1 . 1 99 99 ASP CB C 13 40.93372666 0 . 1 . . . . . 99 ASP CB . 52976 1 347 . 1 . 1 99 99 ASP N N 15 118.0698407 0.09725233892 . 1 . . . . . 99 ASP N . 52976 1 348 . 1 . 1 100 100 ASP CA C 13 54.7339944 0 . 1 . . . . . 100 ASP CA . 52976 1 349 . 1 . 1 101 101 ILE H H 1 8.004043659 0.005728839337 . 1 . . . . . 101 ILE H . 52976 1 350 . 1 . 1 101 101 ILE C C 13 177.0595598 0 . 1 . . . . . 101 ILE C . 52976 1 351 . 1 . 1 101 101 ILE CA C 13 62.17354635 0.01426295982 . 1 . . . . . 101 ILE CA . 52976 1 352 . 1 . 1 101 101 ILE CB C 13 38.07208327 0 . 1 . . . . . 101 ILE CB . 52976 1 353 . 1 . 1 101 101 ILE N N 15 120.66316 0.04977838936 . 1 . . . . . 101 ILE N . 52976 1 354 . 1 . 1 102 102 LYS H H 1 8.220565407 0.002391940618 . 1 . . . . . 102 LYS H . 52976 1 355 . 1 . 1 102 102 LYS C C 13 177.465321 0 . 1 . . . . . 102 LYS C . 52976 1 356 . 1 . 1 102 102 LYS CA C 13 57.35411658 0.02486511981 . 1 . . . . . 102 LYS CA . 52976 1 357 . 1 . 1 102 102 LYS CB C 13 32.43608222 0 . 1 . . . . . 102 LYS CB . 52976 1 358 . 1 . 1 102 102 LYS N N 15 122.5186342 0.05498322404 . 1 . . . . . 102 LYS N . 52976 1 359 . 1 . 1 103 103 SER H H 1 8.084991447 0.007526764403 . 1 . . . . . 103 SER H . 52976 1 360 . 1 . 1 103 103 SER CA C 13 58.99711122 0.03648032993 . 1 . . . . . 103 SER CA . 52976 1 361 . 1 . 1 103 103 SER CB C 13 63.4690717 0 . 1 . . . . . 103 SER CB . 52976 1 362 . 1 . 1 103 103 SER N N 15 115.1988782 0.1308345578 . 1 . . . . . 103 SER N . 52976 1 363 . 1 . 1 104 104 LYS H H 1 8.148983796 0.001919289901 . 1 . . . . . 104 LYS H . 52976 1 364 . 1 . 1 104 104 LYS CA C 13 56.94990023 0 . 1 . . . . . 104 LYS CA . 52976 1 365 . 1 . 1 104 104 LYS CB C 13 32.56444383 0 . 1 . . . . . 104 LYS CB . 52976 1 366 . 1 . 1 104 104 LYS N N 15 122.5970253 0 . 1 . . . . . 104 LYS N . 52976 1 367 . 1 . 1 114 114 ALA H H 1 8.177662432 0 . 1 . . . . . 114 ALA H . 52976 1 368 . 1 . 1 114 114 ALA N N 15 126.938112 0 . 1 . . . . . 114 ALA N . 52976 1 369 . 1 . 1 116 116 GLY H H 1 8.69144208 0 . 1 . . . . . 116 GLY H . 52976 1 370 . 1 . 1 116 116 GLY N N 15 108.194952 0 . 1 . . . . . 116 GLY N . 52976 1 371 . 1 . 1 119 119 ARG H H 1 7.239074803 0 . 1 . . . . . 119 ARG H . 52976 1 372 . 1 . 1 119 119 ARG N N 15 115.8495575 0 . 1 . . . . . 119 ARG N . 52976 1 373 . 1 . 1 120 120 GLY H H 1 7.456196376 0 . 1 . . . . . 120 GLY H . 52976 1 374 . 1 . 1 120 120 GLY N N 15 104.3676492 0 . 1 . . . . . 120 GLY N . 52976 1 375 . 1 . 1 122 122 GLU H H 1 9.052333343 0 . 1 . . . . . 122 GLU H . 52976 1 376 . 1 . 1 122 122 GLU N N 15 122.3325397 0 . 1 . . . . . 122 GLU N . 52976 1 377 . 1 . 1 128 128 GLY H H 1 7.174525146 0 . 1 . . . . . 128 GLY H . 52976 1 378 . 1 . 1 128 128 GLY N N 15 107.8825191 0 . 1 . . . . . 128 GLY N . 52976 1 379 . 1 . 1 130 130 THR H H 1 8.767728038 0 . 1 . . . . . 130 THR H . 52976 1 380 . 1 . 1 130 130 THR N N 15 114.3655013 0 . 1 . . . . . 130 THR N . 52976 1 381 . 1 . 1 134 134 GLY H H 1 8.406836775 0 . 1 . . . . . 134 GLY H . 52976 1 382 . 1 . 1 134 134 GLY N N 15 109.1322506 0 . 1 . . . . . 134 GLY N . 52976 1 383 . 1 . 1 144 144 ASP H H 1 9.198895337 0 . 1 . . . . . 144 ASP H . 52976 1 384 . 1 . 1 144 144 ASP N N 15 118.3441935 0 . 1 . . . . . 144 ASP N . 52976 1 385 . 1 . 1 152 152 LEU C C 13 176.2313135 0.01540298918 . 1 . . . . . 152 LEU C . 52976 1 386 . 1 . 1 152 152 LEU CA C 13 54.25944861 0.03009166807 . 1 . . . . . 152 LEU CA . 52976 1 387 . 1 . 1 152 152 LEU CB C 13 40.93372666 0 . 1 . . . . . 152 LEU CB . 52976 1 388 . 1 . 1 153 153 ALA H H 1 8.192116188 0.001402907842 . 1 . . . . . 153 ALA H . 52976 1 389 . 1 . 1 153 153 ALA C C 13 178.0296889 0.001935120575 . 1 . . . . . 153 ALA C . 52976 1 390 . 1 . 1 153 153 ALA CA C 13 52.93967357 0 . 1 . . . . . 153 ALA CA . 52976 1 391 . 1 . 1 153 153 ALA CB C 13 19.04585464 0 . 1 . . . . . 153 ALA CB . 52976 1 392 . 1 . 1 153 153 ALA N N 15 124.1521546 0.04881532108 . 1 . . . . . 153 ALA N . 52976 1 393 . 1 . 1 154 154 LYS H H 1 8.465518282 0 . 1 . . . . . 154 LYS H . 52976 1 394 . 1 . 1 154 154 LYS N N 15 112.3346876 0 . 1 . . . . . 154 LYS N . 52976 1 395 . 1 . 1 155 155 GLU H H 1 6.884051691 0 . 1 . . . . . 155 GLU H . 52976 1 396 . 1 . 1 155 155 GLU N N 15 116.5525315 0 . 1 . . . . . 155 GLU N . 52976 1 397 . 1 . 1 157 157 ASN H H 1 9.331070497 0 . 1 . . . . . 157 ASN H . 52976 1 398 . 1 . 1 157 157 ASN N N 15 114.8341506 0 . 1 . . . . . 157 ASN N . 52976 1 399 . 1 . 1 158 158 VAL H H 1 6.631721215 0 . 1 . . . . . 158 VAL H . 52976 1 400 . 1 . 1 158 158 VAL N N 15 109.991441 0 . 1 . . . . . 158 VAL N . 52976 1 401 . 1 . 1 160 160 CYS H H 1 9.152091903 0 . 1 . . . . . 160 CYS H . 52976 1 402 . 1 . 1 160 160 CYS N N 15 113.3500945 0 . 1 . . . . . 160 CYS N . 52976 1 403 . 1 . 1 162 162 GLN H H 1 8.911497728 0 . 1 . . . . . 162 GLN H . 52976 1 404 . 1 . 1 162 162 GLN N N 15 113.0376616 0 . 1 . . . . . 162 GLN N . 52976 1 405 . 1 . 1 165 165 ILE H H 1 8.55583135 0.001326858627 . 1 . . . . . 165 ILE H . 52976 1 406 . 1 . 1 165 165 ILE C C 13 176.6792557 0.2678434006 . 1 . . . . . 165 ILE C . 52976 1 407 . 1 . 1 165 165 ILE CA C 13 56.59227362 0.2164500805 . 1 . . . . . 165 ILE CA . 52976 1 408 . 1 . 1 165 165 ILE N N 15 120.9002322 0.06496427712 . 1 . . . . . 165 ILE N . 52976 1 409 . 1 . 1 169 169 GLU H H 1 9.039141517 0.003800065919 . 1 . . . . . 169 GLU H . 52976 1 410 . 1 . 1 169 169 GLU C C 13 178.0592202 0.03146641301 . 1 . . . . . 169 GLU C . 52976 1 411 . 1 . 1 169 169 GLU CA C 13 58.49521926 0.03359517827 . 1 . . . . . 169 GLU CA . 52976 1 412 . 1 . 1 169 169 GLU N N 15 118.5178905 0.008220564184 . 1 . . . . . 169 GLU N . 52976 1 413 . 1 . 1 172 172 LEU C C 13 176.9901032 0 . 1 . . . . . 172 LEU C . 52976 1 414 . 1 . 1 173 173 THR H H 1 7.70439728 0.001538233421 . 1 . . . . . 173 THR H . 52976 1 415 . 1 . 1 173 173 THR CA C 13 68.5896223 0 . 1 . . . . . 173 THR CA . 52976 1 416 . 1 . 1 173 173 THR N N 15 112.5021609 0 . 1 . . . . . 173 THR N . 52976 1 417 . 1 . 1 180 180 ASP C C 13 173.0593558 0 . 1 . . . . . 180 ASP C . 52976 1 418 . 1 . 1 180 180 ASP CA C 13 58.10758619 0 . 1 . . . . . 180 ASP CA . 52976 1 419 . 1 . 1 181 181 ALA H H 1 8.051050807 0.003638465465 . 1 . . . . . 181 ALA H . 52976 1 420 . 1 . 1 181 181 ALA C C 13 179.2463036 0 . 1 . . . . . 181 ALA C . 52976 1 421 . 1 . 1 181 181 ALA CA C 13 54.81326475 0 . 1 . . . . . 181 ALA CA . 52976 1 422 . 1 . 1 181 181 ALA N N 15 125.8297048 0.0003615419458 . 1 . . . . . 181 ALA N . 52976 1 423 . 1 . 1 182 182 GLU H H 1 8.104841226 0.003350442737 . 1 . . . . . 182 GLU H . 52976 1 424 . 1 . 1 182 182 GLU C C 13 176.497127 0 . 1 . . . . . 182 GLU C . 52976 1 425 . 1 . 1 182 182 GLU CA C 13 56.72671249 0.1579143034 . 1 . . . . . 182 GLU CA . 52976 1 426 . 1 . 1 182 182 GLU N N 15 120.4194583 0.02774478247 . 1 . . . . . 182 GLU N . 52976 1 427 . 1 . 1 183 183 ASN H H 1 8.309902892 0.001653465785 . 1 . . . . . 183 ASN H . 52976 1 428 . 1 . 1 183 183 ASN C C 13 175.3924008 0.01452804278 . 1 . . . . . 183 ASN C . 52976 1 429 . 1 . 1 183 183 ASN CA C 13 53.37106707 0.03758226777 . 1 . . . . . 183 ASN CA . 52976 1 430 . 1 . 1 183 183 ASN N N 15 118.9860805 0.01172193966 . 1 . . . . . 183 ASN N . 52976 1 431 . 1 . 1 184 184 LYS C C 13 176.2345713 0 . 1 . . . . . 184 LYS C . 52976 1 432 . 1 . 1 184 184 LYS CA C 13 56.25893962 0 . 1 . . . . . 184 LYS CA . 52976 1 433 . 1 . 1 185 185 GLU H H 1 8.30733087 0.003060052385 . 1 . . . . . 185 GLU H . 52976 1 434 . 1 . 1 185 185 GLU C C 13 176.2345713 0 . 1 . . . . . 185 GLU C . 52976 1 435 . 1 . 1 185 185 GLU CA C 13 58.49047952 0 . 1 . . . . . 185 GLU CA . 52976 1 436 . 1 . 1 185 185 GLU CB C 13 31.2945005 1.207619169 . 1 . . . . . 185 GLU CB . 52976 1 437 . 1 . 1 185 185 GLU N N 15 121.8057034 0.04984599872 . 1 . . . . . 185 GLU N . 52976 1 438 . 1 . 1 186 186 LYS CA C 13 56.74101608 0 . 1 . . . . . 186 LYS CA . 52976 1 439 . 1 . 1 187 187 GLU H H 1 8.184196798 0.006120536563 . 1 . . . . . 187 GLU H . 52976 1 440 . 1 . 1 187 187 GLU C C 13 176.7154105 0 . 1 . . . . . 187 GLU C . 52976 1 441 . 1 . 1 187 187 GLU CA C 13 56.63898868 0.01115022228 . 1 . . . . . 187 GLU CA . 52976 1 442 . 1 . 1 187 187 GLU CB C 13 29.74101324 0 . 1 . . . . . 187 GLU CB . 52976 1 443 . 1 . 1 187 187 GLU N N 15 121.3122588 0.01439351621 . 1 . . . . . 187 GLU N . 52976 1 444 . 1 . 1 188 188 THR H H 1 8.174828973 0.001407677781 . 1 . . . . . 188 THR H . 52976 1 445 . 1 . 1 188 188 THR C C 13 174.1844628 0 . 1 . . . . . 188 THR C . 52976 1 446 . 1 . 1 188 188 THR CA C 13 61.88816481 0.03795154707 . 1 . . . . . 188 THR CA . 52976 1 447 . 1 . 1 188 188 THR CB C 13 69.77421684 0 . 1 . . . . . 188 THR CB . 52976 1 448 . 1 . 1 188 188 THR N N 15 115.4802801 0.03582623167 . 1 . . . . . 188 THR N . 52976 1 449 . 1 . 1 189 189 ALA H H 1 8.320593493 0.007739192002 . 1 . . . . . 189 ALA H . 52976 1 450 . 1 . 1 189 189 ALA C C 13 176.9676157 0.633852381 . 1 . . . . . 189 ALA C . 52976 1 451 . 1 . 1 189 189 ALA CA C 13 52.44792047 0.02277732479 . 1 . . . . . 189 ALA CA . 52976 1 452 . 1 . 1 189 189 ALA CB C 13 19.11259469 0.09613836299 . 1 . . . . . 189 ALA CB . 52976 1 453 . 1 . 1 189 189 ALA N N 15 126.7053369 0.05918272849 . 1 . . . . . 189 ALA N . 52976 1 454 . 1 . 1 190 190 LYS H H 1 8.313302015 0.003493163967 . 1 . . . . . 190 LYS H . 52976 1 455 . 1 . 1 190 190 LYS C C 13 175.8098966 0 . 1 . . . . . 190 LYS C . 52976 1 456 . 1 . 1 190 190 LYS CA C 13 56.14700261 0.01644294988 . 1 . . . . . 190 LYS CA . 52976 1 457 . 1 . 1 190 190 LYS CB C 13 32.83735928 0 . 1 . . . . . 190 LYS CB . 52976 1 458 . 1 . 1 190 190 LYS N N 15 121.4 0 . 1 . . . . . 190 LYS N . 52976 1 459 . 1 . 1 191 191 SER H H 1 7.971499428 0.001539743758 . 1 . . . . . 191 SER H . 52976 1 460 . 1 . 1 191 191 SER C C 13 175.7963335 0 . 1 . . . . . 191 SER C . 52976 1 461 . 1 . 1 191 191 SER CA C 13 59.85706623 0 . 1 . . . . . 191 SER CA . 52976 1 462 . 1 . 1 191 191 SER CB C 13 64.62412931 0 . 1 . . . . . 191 SER CB . 52976 1 463 . 1 . 1 191 191 SER N N 15 122.7722956 0.03316383514 . 1 . . . . . 191 SER N . 52976 1 stop_ save_