data_51820 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51820 _Entry.Title ; 13C,15N solid-state NMR assignments of H2B globular domain in NCP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-03 _Entry.Accession_date 2023-02-03 _Entry.Last_release_date 2023-02-03 _Entry.Original_release_date 2023-02-03 _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 solid-state _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 'complete assignment of H2B globular domain in NCP obtained from multi-dimensional solid-state NMR experiments' _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 Xiangyan Shi . . . 0000-0002-3784-5889 51820 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51820 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 51820 '15N chemical shifts' 93 51820 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 . . 2023-06-26 . original BMRB . 51820 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51820 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37355718 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and dynamical investigation of histone H2B in well-hydrated nucleosome core particles by solid-state NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 6 _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 672 _Citation.Page_last 672 _Citation.Year 2023 _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 Xiangyan Shi X. . . . 51820 1 2 Bhuvaneswari Kannaian B. . . . 51820 1 3 Chinmayi Prasanna C. . . . 51820 1 4 Aghil Soman A. . . . 51820 1 5 Lars Nordenskiold L. . . . 51820 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51820 _Assembly.ID 1 _Assembly.Name 'nucleosome core particle' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 H2B 1 $entity_1 . . yes native no no . . '2 copies' 51820 1 2 H2A 2 $entity_2 . . no native no no . . '2 copies' 51820 1 3 H3 3 $entity_3 . . no native no no . . '2 copies' 51820 1 4 H4 4 $entity_4 . . no native no no . . '2 copies' 51820 1 5 'DNA 1' 5 $entity_5 . . no native no no . . '1 copy' 51820 1 6 'DNA 2' 6 $entity_6 . . no native no no . . '1 copy' 51820 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51820 _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 ; AKSAPAPKKGSKKAVTKAQK KDGKKRRKTRKESYAIYVYK VLKQVHPDTGISSKAMSIMN SFVNDVFERIAGEASRLAHY NKRSTITSREIQTAVRLLLP GELAKHAVSEGTKAVTKYTS AK ; _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 122 _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 . ALA . 51820 1 2 . LYS . 51820 1 3 . SER . 51820 1 4 . ALA . 51820 1 5 . PRO . 51820 1 6 . ALA . 51820 1 7 . PRO . 51820 1 8 . LYS . 51820 1 9 . LYS . 51820 1 10 . GLY . 51820 1 11 . SER . 51820 1 12 . LYS . 51820 1 13 . LYS . 51820 1 14 . ALA . 51820 1 15 . VAL . 51820 1 16 . THR . 51820 1 17 . LYS . 51820 1 18 . ALA . 51820 1 19 . GLN . 51820 1 20 . LYS . 51820 1 21 . LYS . 51820 1 22 . ASP . 51820 1 23 . GLY . 51820 1 24 . LYS . 51820 1 25 . LYS . 51820 1 26 . ARG . 51820 1 27 . ARG . 51820 1 28 . LYS . 51820 1 29 . THR . 51820 1 30 . ARG . 51820 1 31 . LYS . 51820 1 32 . GLU . 51820 1 33 . SER . 51820 1 34 . TYR . 51820 1 35 . ALA . 51820 1 36 . ILE . 51820 1 37 . TYR . 51820 1 38 . VAL . 51820 1 39 . TYR . 51820 1 40 . LYS . 51820 1 41 . VAL . 51820 1 42 . LEU . 51820 1 43 . LYS . 51820 1 44 . GLN . 51820 1 45 . VAL . 51820 1 46 . HIS . 51820 1 47 . PRO . 51820 1 48 . ASP . 51820 1 49 . THR . 51820 1 50 . GLY . 51820 1 51 . ILE . 51820 1 52 . SER . 51820 1 53 . SER . 51820 1 54 . LYS . 51820 1 55 . ALA . 51820 1 56 . MET . 51820 1 57 . SER . 51820 1 58 . ILE . 51820 1 59 . MET . 51820 1 60 . ASN . 51820 1 61 . SER . 51820 1 62 . PHE . 51820 1 63 . VAL . 51820 1 64 . ASN . 51820 1 65 . ASP . 51820 1 66 . VAL . 51820 1 67 . PHE . 51820 1 68 . GLU . 51820 1 69 . ARG . 51820 1 70 . ILE . 51820 1 71 . ALA . 51820 1 72 . GLY . 51820 1 73 . GLU . 51820 1 74 . ALA . 51820 1 75 . SER . 51820 1 76 . ARG . 51820 1 77 . LEU . 51820 1 78 . ALA . 51820 1 79 . HIS . 51820 1 80 . TYR . 51820 1 81 . ASN . 51820 1 82 . LYS . 51820 1 83 . ARG . 51820 1 84 . SER . 51820 1 85 . THR . 51820 1 86 . ILE . 51820 1 87 . THR . 51820 1 88 . SER . 51820 1 89 . ARG . 51820 1 90 . GLU . 51820 1 91 . ILE . 51820 1 92 . GLN . 51820 1 93 . THR . 51820 1 94 . ALA . 51820 1 95 . VAL . 51820 1 96 . ARG . 51820 1 97 . LEU . 51820 1 98 . LEU . 51820 1 99 . LEU . 51820 1 100 . PRO . 51820 1 101 . GLY . 51820 1 102 . GLU . 51820 1 103 . LEU . 51820 1 104 . ALA . 51820 1 105 . LYS . 51820 1 106 . HIS . 51820 1 107 . ALA . 51820 1 108 . VAL . 51820 1 109 . SER . 51820 1 110 . GLU . 51820 1 111 . GLY . 51820 1 112 . THR . 51820 1 113 . LYS . 51820 1 114 . ALA . 51820 1 115 . VAL . 51820 1 116 . THR . 51820 1 117 . LYS . 51820 1 118 . TYR . 51820 1 119 . THR . 51820 1 120 . SER . 51820 1 121 . ALA . 51820 1 122 . LYS . 51820 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 . ALA 1 1 51820 1 . LYS 2 2 51820 1 . SER 3 3 51820 1 . ALA 4 4 51820 1 . PRO 5 5 51820 1 . ALA 6 6 51820 1 . PRO 7 7 51820 1 . LYS 8 8 51820 1 . LYS 9 9 51820 1 . GLY 10 10 51820 1 . SER 11 11 51820 1 . LYS 12 12 51820 1 . LYS 13 13 51820 1 . ALA 14 14 51820 1 . VAL 15 15 51820 1 . THR 16 16 51820 1 . LYS 17 17 51820 1 . ALA 18 18 51820 1 . GLN 19 19 51820 1 . LYS 20 20 51820 1 . LYS 21 21 51820 1 . ASP 22 22 51820 1 . GLY 23 23 51820 1 . LYS 24 24 51820 1 . LYS 25 25 51820 1 . ARG 26 26 51820 1 . ARG 27 27 51820 1 . LYS 28 28 51820 1 . THR 29 29 51820 1 . ARG 30 30 51820 1 . LYS 31 31 51820 1 . GLU 32 32 51820 1 . SER 33 33 51820 1 . TYR 34 34 51820 1 . ALA 35 35 51820 1 . ILE 36 36 51820 1 . TYR 37 37 51820 1 . VAL 38 38 51820 1 . TYR 39 39 51820 1 . LYS 40 40 51820 1 . VAL 41 41 51820 1 . LEU 42 42 51820 1 . LYS 43 43 51820 1 . GLN 44 44 51820 1 . VAL 45 45 51820 1 . HIS 46 46 51820 1 . PRO 47 47 51820 1 . ASP 48 48 51820 1 . THR 49 49 51820 1 . GLY 50 50 51820 1 . ILE 51 51 51820 1 . SER 52 52 51820 1 . SER 53 53 51820 1 . LYS 54 54 51820 1 . ALA 55 55 51820 1 . MET 56 56 51820 1 . SER 57 57 51820 1 . ILE 58 58 51820 1 . MET 59 59 51820 1 . ASN 60 60 51820 1 . SER 61 61 51820 1 . PHE 62 62 51820 1 . VAL 63 63 51820 1 . ASN 64 64 51820 1 . ASP 65 65 51820 1 . VAL 66 66 51820 1 . PHE 67 67 51820 1 . GLU 68 68 51820 1 . ARG 69 69 51820 1 . ILE 70 70 51820 1 . ALA 71 71 51820 1 . GLY 72 72 51820 1 . GLU 73 73 51820 1 . ALA 74 74 51820 1 . SER 75 75 51820 1 . ARG 76 76 51820 1 . LEU 77 77 51820 1 . ALA 78 78 51820 1 . HIS 79 79 51820 1 . TYR 80 80 51820 1 . ASN 81 81 51820 1 . LYS 82 82 51820 1 . ARG 83 83 51820 1 . SER 84 84 51820 1 . THR 85 85 51820 1 . ILE 86 86 51820 1 . THR 87 87 51820 1 . SER 88 88 51820 1 . ARG 89 89 51820 1 . GLU 90 90 51820 1 . ILE 91 91 51820 1 . GLN 92 92 51820 1 . THR 93 93 51820 1 . ALA 94 94 51820 1 . VAL 95 95 51820 1 . ARG 96 96 51820 1 . LEU 97 97 51820 1 . LEU 98 98 51820 1 . LEU 99 99 51820 1 . PRO 100 100 51820 1 . GLY 101 101 51820 1 . GLU 102 102 51820 1 . LEU 103 103 51820 1 . ALA 104 104 51820 1 . LYS 105 105 51820 1 . HIS 106 106 51820 1 . ALA 107 107 51820 1 . VAL 108 108 51820 1 . SER 109 109 51820 1 . GLU 110 110 51820 1 . GLY 111 111 51820 1 . THR 112 112 51820 1 . LYS 113 113 51820 1 . ALA 114 114 51820 1 . VAL 115 115 51820 1 . THR 116 116 51820 1 . LYS 117 117 51820 1 . TYR 118 118 51820 1 . THR 119 119 51820 1 . SER 120 120 51820 1 . ALA 121 121 51820 1 . LYS 122 122 51820 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51820 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; SGRGKQGGKARAKAKTRSSR AGLQFPVGRVHRLLRKGNYS ERVGAGAPVYLAAVLEYLTA EILELAGNAARDNKKTRIIP RHLQLAIRNDEELNKLLGRV TIAQGGVLPNIQAVLLPKKT ESHHKAKGK ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . SER . 51820 2 2 . GLY . 51820 2 3 . ARG . 51820 2 4 . GLY . 51820 2 5 . LYS . 51820 2 6 . GLN . 51820 2 7 . GLY . 51820 2 8 . GLY . 51820 2 9 . LYS . 51820 2 10 . ALA . 51820 2 11 . ARG . 51820 2 12 . ALA . 51820 2 13 . LYS . 51820 2 14 . ALA . 51820 2 15 . LYS . 51820 2 16 . THR . 51820 2 17 . ARG . 51820 2 18 . SER . 51820 2 19 . SER . 51820 2 20 . ARG . 51820 2 21 . ALA . 51820 2 22 . GLY . 51820 2 23 . LEU . 51820 2 24 . GLN . 51820 2 25 . PHE . 51820 2 26 . PRO . 51820 2 27 . VAL . 51820 2 28 . GLY . 51820 2 29 . ARG . 51820 2 30 . VAL . 51820 2 31 . HIS . 51820 2 32 . ARG . 51820 2 33 . LEU . 51820 2 34 . LEU . 51820 2 35 . ARG . 51820 2 36 . LYS . 51820 2 37 . GLY . 51820 2 38 . ASN . 51820 2 39 . TYR . 51820 2 40 . SER . 51820 2 41 . GLU . 51820 2 42 . ARG . 51820 2 43 . VAL . 51820 2 44 . GLY . 51820 2 45 . ALA . 51820 2 46 . GLY . 51820 2 47 . ALA . 51820 2 48 . PRO . 51820 2 49 . VAL . 51820 2 50 . TYR . 51820 2 51 . LEU . 51820 2 52 . ALA . 51820 2 53 . ALA . 51820 2 54 . VAL . 51820 2 55 . LEU . 51820 2 56 . GLU . 51820 2 57 . TYR . 51820 2 58 . LEU . 51820 2 59 . THR . 51820 2 60 . ALA . 51820 2 61 . GLU . 51820 2 62 . ILE . 51820 2 63 . LEU . 51820 2 64 . GLU . 51820 2 65 . LEU . 51820 2 66 . ALA . 51820 2 67 . GLY . 51820 2 68 . ASN . 51820 2 69 . ALA . 51820 2 70 . ALA . 51820 2 71 . ARG . 51820 2 72 . ASP . 51820 2 73 . ASN . 51820 2 74 . LYS . 51820 2 75 . LYS . 51820 2 76 . THR . 51820 2 77 . ARG . 51820 2 78 . ILE . 51820 2 79 . ILE . 51820 2 80 . PRO . 51820 2 81 . ARG . 51820 2 82 . HIS . 51820 2 83 . LEU . 51820 2 84 . GLN . 51820 2 85 . LEU . 51820 2 86 . ALA . 51820 2 87 . ILE . 51820 2 88 . ARG . 51820 2 89 . ASN . 51820 2 90 . ASP . 51820 2 91 . GLU . 51820 2 92 . GLU . 51820 2 93 . LEU . 51820 2 94 . ASN . 51820 2 95 . LYS . 51820 2 96 . LEU . 51820 2 97 . LEU . 51820 2 98 . GLY . 51820 2 99 . ARG . 51820 2 100 . VAL . 51820 2 101 . THR . 51820 2 102 . ILE . 51820 2 103 . ALA . 51820 2 104 . GLN . 51820 2 105 . GLY . 51820 2 106 . GLY . 51820 2 107 . VAL . 51820 2 108 . LEU . 51820 2 109 . PRO . 51820 2 110 . ASN . 51820 2 111 . ILE . 51820 2 112 . GLN . 51820 2 113 . ALA . 51820 2 114 . VAL . 51820 2 115 . LEU . 51820 2 116 . LEU . 51820 2 117 . PRO . 51820 2 118 . LYS . 51820 2 119 . LYS . 51820 2 120 . THR . 51820 2 121 . GLU . 51820 2 122 . SER . 51820 2 123 . HIS . 51820 2 124 . HIS . 51820 2 125 . LYS . 51820 2 126 . ALA . 51820 2 127 . LYS . 51820 2 128 . GLY . 51820 2 129 . LYS . 51820 2 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 . SER 1 1 51820 2 . GLY 2 2 51820 2 . ARG 3 3 51820 2 . GLY 4 4 51820 2 . LYS 5 5 51820 2 . GLN 6 6 51820 2 . GLY 7 7 51820 2 . GLY 8 8 51820 2 . LYS 9 9 51820 2 . ALA 10 10 51820 2 . ARG 11 11 51820 2 . ALA 12 12 51820 2 . LYS 13 13 51820 2 . ALA 14 14 51820 2 . LYS 15 15 51820 2 . THR 16 16 51820 2 . ARG 17 17 51820 2 . SER 18 18 51820 2 . SER 19 19 51820 2 . ARG 20 20 51820 2 . ALA 21 21 51820 2 . GLY 22 22 51820 2 . LEU 23 23 51820 2 . GLN 24 24 51820 2 . PHE 25 25 51820 2 . PRO 26 26 51820 2 . VAL 27 27 51820 2 . GLY 28 28 51820 2 . ARG 29 29 51820 2 . VAL 30 30 51820 2 . HIS 31 31 51820 2 . ARG 32 32 51820 2 . LEU 33 33 51820 2 . LEU 34 34 51820 2 . ARG 35 35 51820 2 . LYS 36 36 51820 2 . GLY 37 37 51820 2 . ASN 38 38 51820 2 . TYR 39 39 51820 2 . SER 40 40 51820 2 . GLU 41 41 51820 2 . ARG 42 42 51820 2 . VAL 43 43 51820 2 . GLY 44 44 51820 2 . ALA 45 45 51820 2 . GLY 46 46 51820 2 . ALA 47 47 51820 2 . PRO 48 48 51820 2 . VAL 49 49 51820 2 . TYR 50 50 51820 2 . LEU 51 51 51820 2 . ALA 52 52 51820 2 . ALA 53 53 51820 2 . VAL 54 54 51820 2 . LEU 55 55 51820 2 . GLU 56 56 51820 2 . TYR 57 57 51820 2 . LEU 58 58 51820 2 . THR 59 59 51820 2 . ALA 60 60 51820 2 . GLU 61 61 51820 2 . ILE 62 62 51820 2 . LEU 63 63 51820 2 . GLU 64 64 51820 2 . LEU 65 65 51820 2 . ALA 66 66 51820 2 . GLY 67 67 51820 2 . ASN 68 68 51820 2 . ALA 69 69 51820 2 . ALA 70 70 51820 2 . ARG 71 71 51820 2 . ASP 72 72 51820 2 . ASN 73 73 51820 2 . LYS 74 74 51820 2 . LYS 75 75 51820 2 . THR 76 76 51820 2 . ARG 77 77 51820 2 . ILE 78 78 51820 2 . ILE 79 79 51820 2 . PRO 80 80 51820 2 . ARG 81 81 51820 2 . HIS 82 82 51820 2 . LEU 83 83 51820 2 . GLN 84 84 51820 2 . LEU 85 85 51820 2 . ALA 86 86 51820 2 . ILE 87 87 51820 2 . ARG 88 88 51820 2 . ASN 89 89 51820 2 . ASP 90 90 51820 2 . GLU 91 91 51820 2 . GLU 92 92 51820 2 . LEU 93 93 51820 2 . ASN 94 94 51820 2 . LYS 95 95 51820 2 . LEU 96 96 51820 2 . LEU 97 97 51820 2 . GLY 98 98 51820 2 . ARG 99 99 51820 2 . VAL 100 100 51820 2 . THR 101 101 51820 2 . ILE 102 102 51820 2 . ALA 103 103 51820 2 . GLN 104 104 51820 2 . GLY 105 105 51820 2 . GLY 106 106 51820 2 . VAL 107 107 51820 2 . LEU 108 108 51820 2 . PRO 109 109 51820 2 . ASN 110 110 51820 2 . ILE 111 111 51820 2 . GLN 112 112 51820 2 . ALA 113 113 51820 2 . VAL 114 114 51820 2 . LEU 115 115 51820 2 . LEU 116 116 51820 2 . PRO 117 117 51820 2 . LYS 118 118 51820 2 . LYS 119 119 51820 2 . THR 120 120 51820 2 . GLU 121 121 51820 2 . SER 122 122 51820 2 . HIS 123 123 51820 2 . HIS 124 124 51820 2 . LYS 125 125 51820 2 . ALA 126 126 51820 2 . LYS 127 127 51820 2 . GLY 128 128 51820 2 . LYS 129 129 51820 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51820 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; ARTKQTARKSTGGKAPRKQL ATKAARKSAPATGGVKKPHR YRPGTVALREIRRYQKSTEL LIRKLPFQRLVREIAQDFKT DLRFQSSAVMALQEACEAYL VGLFEDTNLCAIHAKRVTIM PKDIQLARRIRGERA ; _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . ALA . 51820 3 2 . ARG . 51820 3 3 . THR . 51820 3 4 . LYS . 51820 3 5 . GLN . 51820 3 6 . THR . 51820 3 7 . ALA . 51820 3 8 . ARG . 51820 3 9 . LYS . 51820 3 10 . SER . 51820 3 11 . THR . 51820 3 12 . GLY . 51820 3 13 . GLY . 51820 3 14 . LYS . 51820 3 15 . ALA . 51820 3 16 . PRO . 51820 3 17 . ARG . 51820 3 18 . LYS . 51820 3 19 . GLN . 51820 3 20 . LEU . 51820 3 21 . ALA . 51820 3 22 . THR . 51820 3 23 . LYS . 51820 3 24 . ALA . 51820 3 25 . ALA . 51820 3 26 . ARG . 51820 3 27 . LYS . 51820 3 28 . SER . 51820 3 29 . ALA . 51820 3 30 . PRO . 51820 3 31 . ALA . 51820 3 32 . THR . 51820 3 33 . GLY . 51820 3 34 . GLY . 51820 3 35 . VAL . 51820 3 36 . LYS . 51820 3 37 . LYS . 51820 3 38 . PRO . 51820 3 39 . HIS . 51820 3 40 . ARG . 51820 3 41 . TYR . 51820 3 42 . ARG . 51820 3 43 . PRO . 51820 3 44 . GLY . 51820 3 45 . THR . 51820 3 46 . VAL . 51820 3 47 . ALA . 51820 3 48 . LEU . 51820 3 49 . ARG . 51820 3 50 . GLU . 51820 3 51 . ILE . 51820 3 52 . ARG . 51820 3 53 . ARG . 51820 3 54 . TYR . 51820 3 55 . GLN . 51820 3 56 . LYS . 51820 3 57 . SER . 51820 3 58 . THR . 51820 3 59 . GLU . 51820 3 60 . LEU . 51820 3 61 . LEU . 51820 3 62 . ILE . 51820 3 63 . ARG . 51820 3 64 . LYS . 51820 3 65 . LEU . 51820 3 66 . PRO . 51820 3 67 . PHE . 51820 3 68 . GLN . 51820 3 69 . ARG . 51820 3 70 . LEU . 51820 3 71 . VAL . 51820 3 72 . ARG . 51820 3 73 . GLU . 51820 3 74 . ILE . 51820 3 75 . ALA . 51820 3 76 . GLN . 51820 3 77 . ASP . 51820 3 78 . PHE . 51820 3 79 . LYS . 51820 3 80 . THR . 51820 3 81 . ASP . 51820 3 82 . LEU . 51820 3 83 . ARG . 51820 3 84 . PHE . 51820 3 85 . GLN . 51820 3 86 . SER . 51820 3 87 . SER . 51820 3 88 . ALA . 51820 3 89 . VAL . 51820 3 90 . MET . 51820 3 91 . ALA . 51820 3 92 . LEU . 51820 3 93 . GLN . 51820 3 94 . GLU . 51820 3 95 . ALA . 51820 3 96 . CYS . 51820 3 97 . GLU . 51820 3 98 . ALA . 51820 3 99 . TYR . 51820 3 100 . LEU . 51820 3 101 . VAL . 51820 3 102 . GLY . 51820 3 103 . LEU . 51820 3 104 . PHE . 51820 3 105 . GLU . 51820 3 106 . ASP . 51820 3 107 . THR . 51820 3 108 . ASN . 51820 3 109 . LEU . 51820 3 110 . CYS . 51820 3 111 . ALA . 51820 3 112 . ILE . 51820 3 113 . HIS . 51820 3 114 . ALA . 51820 3 115 . LYS . 51820 3 116 . ARG . 51820 3 117 . VAL . 51820 3 118 . THR . 51820 3 119 . ILE . 51820 3 120 . MET . 51820 3 121 . PRO . 51820 3 122 . LYS . 51820 3 123 . ASP . 51820 3 124 . ILE . 51820 3 125 . GLN . 51820 3 126 . LEU . 51820 3 127 . ALA . 51820 3 128 . ARG . 51820 3 129 . ARG . 51820 3 130 . ILE . 51820 3 131 . ARG . 51820 3 132 . GLY . 51820 3 133 . GLU . 51820 3 134 . ARG . 51820 3 135 . ALA . 51820 3 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 . ALA 1 1 51820 3 . ARG 2 2 51820 3 . THR 3 3 51820 3 . LYS 4 4 51820 3 . GLN 5 5 51820 3 . THR 6 6 51820 3 . ALA 7 7 51820 3 . ARG 8 8 51820 3 . LYS 9 9 51820 3 . SER 10 10 51820 3 . THR 11 11 51820 3 . GLY 12 12 51820 3 . GLY 13 13 51820 3 . LYS 14 14 51820 3 . ALA 15 15 51820 3 . PRO 16 16 51820 3 . ARG 17 17 51820 3 . LYS 18 18 51820 3 . GLN 19 19 51820 3 . LEU 20 20 51820 3 . ALA 21 21 51820 3 . THR 22 22 51820 3 . LYS 23 23 51820 3 . ALA 24 24 51820 3 . ALA 25 25 51820 3 . ARG 26 26 51820 3 . LYS 27 27 51820 3 . SER 28 28 51820 3 . ALA 29 29 51820 3 . PRO 30 30 51820 3 . ALA 31 31 51820 3 . THR 32 32 51820 3 . GLY 33 33 51820 3 . GLY 34 34 51820 3 . VAL 35 35 51820 3 . LYS 36 36 51820 3 . LYS 37 37 51820 3 . PRO 38 38 51820 3 . HIS 39 39 51820 3 . ARG 40 40 51820 3 . TYR 41 41 51820 3 . ARG 42 42 51820 3 . PRO 43 43 51820 3 . GLY 44 44 51820 3 . THR 45 45 51820 3 . VAL 46 46 51820 3 . ALA 47 47 51820 3 . LEU 48 48 51820 3 . ARG 49 49 51820 3 . GLU 50 50 51820 3 . ILE 51 51 51820 3 . ARG 52 52 51820 3 . ARG 53 53 51820 3 . TYR 54 54 51820 3 . GLN 55 55 51820 3 . LYS 56 56 51820 3 . SER 57 57 51820 3 . THR 58 58 51820 3 . GLU 59 59 51820 3 . LEU 60 60 51820 3 . LEU 61 61 51820 3 . ILE 62 62 51820 3 . ARG 63 63 51820 3 . LYS 64 64 51820 3 . LEU 65 65 51820 3 . PRO 66 66 51820 3 . PHE 67 67 51820 3 . GLN 68 68 51820 3 . ARG 69 69 51820 3 . LEU 70 70 51820 3 . VAL 71 71 51820 3 . ARG 72 72 51820 3 . GLU 73 73 51820 3 . ILE 74 74 51820 3 . ALA 75 75 51820 3 . GLN 76 76 51820 3 . ASP 77 77 51820 3 . PHE 78 78 51820 3 . LYS 79 79 51820 3 . THR 80 80 51820 3 . ASP 81 81 51820 3 . LEU 82 82 51820 3 . ARG 83 83 51820 3 . PHE 84 84 51820 3 . GLN 85 85 51820 3 . SER 86 86 51820 3 . SER 87 87 51820 3 . ALA 88 88 51820 3 . VAL 89 89 51820 3 . MET 90 90 51820 3 . ALA 91 91 51820 3 . LEU 92 92 51820 3 . GLN 93 93 51820 3 . GLU 94 94 51820 3 . ALA 95 95 51820 3 . CYS 96 96 51820 3 . GLU 97 97 51820 3 . ALA 98 98 51820 3 . TYR 99 99 51820 3 . LEU 100 100 51820 3 . VAL 101 101 51820 3 . GLY 102 102 51820 3 . LEU 103 103 51820 3 . PHE 104 104 51820 3 . GLU 105 105 51820 3 . ASP 106 106 51820 3 . THR 107 107 51820 3 . ASN 108 108 51820 3 . LEU 109 109 51820 3 . CYS 110 110 51820 3 . ALA 111 111 51820 3 . ILE 112 112 51820 3 . HIS 113 113 51820 3 . ALA 114 114 51820 3 . LYS 115 115 51820 3 . ARG 116 116 51820 3 . VAL 117 117 51820 3 . THR 118 118 51820 3 . ILE 119 119 51820 3 . MET 120 120 51820 3 . PRO 121 121 51820 3 . LYS 122 122 51820 3 . ASP 123 123 51820 3 . ILE 124 124 51820 3 . GLN 125 125 51820 3 . LEU 126 126 51820 3 . ALA 127 127 51820 3 . ARG 128 128 51820 3 . ARG 129 129 51820 3 . ILE 130 130 51820 3 . ARG 131 131 51820 3 . GLY 132 132 51820 3 . GLU 133 133 51820 3 . ARG 134 134 51820 3 . ALA 135 135 51820 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 51820 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _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 ; SGRGKGGKGLGKGGAKRHRK VLRDNIQGITKPAIRRLARR GGVKRISGLIYEETRGVLKV FLENVIRDAVTYTEHAKRKT VTAMDVVYALKRQGRTLYGF GG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 4 _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 . SER . 51820 4 2 . GLY . 51820 4 3 . ARG . 51820 4 4 . GLY . 51820 4 5 . LYS . 51820 4 6 . GLY . 51820 4 7 . GLY . 51820 4 8 . LYS . 51820 4 9 . GLY . 51820 4 10 . LEU . 51820 4 11 . GLY . 51820 4 12 . LYS . 51820 4 13 . GLY . 51820 4 14 . GLY . 51820 4 15 . ALA . 51820 4 16 . LYS . 51820 4 17 . ARG . 51820 4 18 . HIS . 51820 4 19 . ARG . 51820 4 20 . LYS . 51820 4 21 . VAL . 51820 4 22 . LEU . 51820 4 23 . ARG . 51820 4 24 . ASP . 51820 4 25 . ASN . 51820 4 26 . ILE . 51820 4 27 . GLN . 51820 4 28 . GLY . 51820 4 29 . ILE . 51820 4 30 . THR . 51820 4 31 . LYS . 51820 4 32 . PRO . 51820 4 33 . ALA . 51820 4 34 . ILE . 51820 4 35 . ARG . 51820 4 36 . ARG . 51820 4 37 . LEU . 51820 4 38 . ALA . 51820 4 39 . ARG . 51820 4 40 . ARG . 51820 4 41 . GLY . 51820 4 42 . GLY . 51820 4 43 . VAL . 51820 4 44 . LYS . 51820 4 45 . ARG . 51820 4 46 . ILE . 51820 4 47 . SER . 51820 4 48 . GLY . 51820 4 49 . LEU . 51820 4 50 . ILE . 51820 4 51 . TYR . 51820 4 52 . GLU . 51820 4 53 . GLU . 51820 4 54 . THR . 51820 4 55 . ARG . 51820 4 56 . GLY . 51820 4 57 . VAL . 51820 4 58 . LEU . 51820 4 59 . LYS . 51820 4 60 . VAL . 51820 4 61 . PHE . 51820 4 62 . LEU . 51820 4 63 . GLU . 51820 4 64 . ASN . 51820 4 65 . VAL . 51820 4 66 . ILE . 51820 4 67 . ARG . 51820 4 68 . ASP . 51820 4 69 . ALA . 51820 4 70 . VAL . 51820 4 71 . THR . 51820 4 72 . TYR . 51820 4 73 . THR . 51820 4 74 . GLU . 51820 4 75 . HIS . 51820 4 76 . ALA . 51820 4 77 . LYS . 51820 4 78 . ARG . 51820 4 79 . LYS . 51820 4 80 . THR . 51820 4 81 . VAL . 51820 4 82 . THR . 51820 4 83 . ALA . 51820 4 84 . MET . 51820 4 85 . ASP . 51820 4 86 . VAL . 51820 4 87 . VAL . 51820 4 88 . TYR . 51820 4 89 . ALA . 51820 4 90 . LEU . 51820 4 91 . LYS . 51820 4 92 . ARG . 51820 4 93 . GLN . 51820 4 94 . GLY . 51820 4 95 . ARG . 51820 4 96 . THR . 51820 4 97 . LEU . 51820 4 98 . TYR . 51820 4 99 . GLY . 51820 4 100 . PHE . 51820 4 101 . GLY . 51820 4 102 . GLY . 51820 4 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 . SER 1 1 51820 4 . GLY 2 2 51820 4 . ARG 3 3 51820 4 . GLY 4 4 51820 4 . LYS 5 5 51820 4 . GLY 6 6 51820 4 . GLY 7 7 51820 4 . LYS 8 8 51820 4 . GLY 9 9 51820 4 . LEU 10 10 51820 4 . GLY 11 11 51820 4 . LYS 12 12 51820 4 . GLY 13 13 51820 4 . GLY 14 14 51820 4 . ALA 15 15 51820 4 . LYS 16 16 51820 4 . ARG 17 17 51820 4 . HIS 18 18 51820 4 . ARG 19 19 51820 4 . LYS 20 20 51820 4 . VAL 21 21 51820 4 . LEU 22 22 51820 4 . ARG 23 23 51820 4 . ASP 24 24 51820 4 . ASN 25 25 51820 4 . ILE 26 26 51820 4 . GLN 27 27 51820 4 . GLY 28 28 51820 4 . ILE 29 29 51820 4 . THR 30 30 51820 4 . LYS 31 31 51820 4 . PRO 32 32 51820 4 . ALA 33 33 51820 4 . ILE 34 34 51820 4 . ARG 35 35 51820 4 . ARG 36 36 51820 4 . LEU 37 37 51820 4 . ALA 38 38 51820 4 . ARG 39 39 51820 4 . ARG 40 40 51820 4 . GLY 41 41 51820 4 . GLY 42 42 51820 4 . VAL 43 43 51820 4 . LYS 44 44 51820 4 . ARG 45 45 51820 4 . ILE 46 46 51820 4 . SER 47 47 51820 4 . GLY 48 48 51820 4 . LEU 49 49 51820 4 . ILE 50 50 51820 4 . TYR 51 51 51820 4 . GLU 52 52 51820 4 . GLU 53 53 51820 4 . THR 54 54 51820 4 . ARG 55 55 51820 4 . GLY 56 56 51820 4 . VAL 57 57 51820 4 . LEU 58 58 51820 4 . LYS 59 59 51820 4 . VAL 60 60 51820 4 . PHE 61 61 51820 4 . LEU 62 62 51820 4 . GLU 63 63 51820 4 . ASN 64 64 51820 4 . VAL 65 65 51820 4 . ILE 66 66 51820 4 . ARG 67 67 51820 4 . ASP 68 68 51820 4 . ALA 69 69 51820 4 . VAL 70 70 51820 4 . THR 71 71 51820 4 . TYR 72 72 51820 4 . THR 73 73 51820 4 . GLU 74 74 51820 4 . HIS 75 75 51820 4 . ALA 76 76 51820 4 . LYS 77 77 51820 4 . ARG 78 78 51820 4 . LYS 79 79 51820 4 . THR 80 80 51820 4 . VAL 81 81 51820 4 . THR 82 82 51820 4 . ALA 83 83 51820 4 . MET 84 84 51820 4 . ASP 85 85 51820 4 . VAL 86 86 51820 4 . VAL 87 87 51820 4 . TYR 88 88 51820 4 . ALA 89 89 51820 4 . LEU 90 90 51820 4 . LYS 91 91 51820 4 . ARG 92 92 51820 4 . GLN 93 93 51820 4 . GLY 94 94 51820 4 . ARG 95 95 51820 4 . THR 96 96 51820 4 . LEU 97 97 51820 4 . TYR 98 98 51820 4 . GLY 99 99 51820 4 . PHE 100 100 51820 4 . GLY 101 101 51820 4 . GLY 102 102 51820 4 stop_ save_ save_entity_5 _Entity.Sf_category entity _Entity.Sf_framecode entity_5 _Entity.Entry_ID 51820 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name entity_5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATCAGAATCCCGGTGCCGAG GCCGCTCAATTGGTCGTAGA CAGCTCTAGCACCGCTTAAA CGCACGTACGCGCTGTCCCC CGCGTTTTAACCGCCAAGGG GATTACTCCCTAGTCTCCAG GCACGTGTCAGATATATACA TCGAT ; _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 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 5 _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 . DA . 51820 5 2 . DT . 51820 5 3 . DC . 51820 5 4 . DA . 51820 5 5 . DG . 51820 5 6 . DA . 51820 5 7 . DA . 51820 5 8 . DT . 51820 5 9 . DC . 51820 5 10 . DC . 51820 5 11 . DC . 51820 5 12 . DG . 51820 5 13 . DG . 51820 5 14 . DT . 51820 5 15 . DG . 51820 5 16 . DC . 51820 5 17 . DC . 51820 5 18 . DG . 51820 5 19 . DA . 51820 5 20 . DG . 51820 5 21 . DG . 51820 5 22 . DC . 51820 5 23 . DC . 51820 5 24 . DG . 51820 5 25 . DC . 51820 5 26 . DT . 51820 5 27 . DC . 51820 5 28 . DA . 51820 5 29 . DA . 51820 5 30 . DT . 51820 5 31 . DT . 51820 5 32 . DG . 51820 5 33 . DG . 51820 5 34 . DT . 51820 5 35 . DC . 51820 5 36 . DG . 51820 5 37 . DT . 51820 5 38 . DA . 51820 5 39 . DG . 51820 5 40 . DA . 51820 5 41 . DC . 51820 5 42 . DA . 51820 5 43 . DG . 51820 5 44 . DC . 51820 5 45 . DT . 51820 5 46 . DC . 51820 5 47 . DT . 51820 5 48 . DA . 51820 5 49 . DG . 51820 5 50 . DC . 51820 5 51 . DA . 51820 5 52 . DC . 51820 5 53 . DC . 51820 5 54 . DG . 51820 5 55 . DC . 51820 5 56 . DT . 51820 5 57 . DT . 51820 5 58 . DA . 51820 5 59 . DA . 51820 5 60 . DA . 51820 5 61 . DC . 51820 5 62 . DG . 51820 5 63 . DC . 51820 5 64 . DA . 51820 5 65 . DC . 51820 5 66 . DG . 51820 5 67 . DT . 51820 5 68 . DA . 51820 5 69 . DC . 51820 5 70 . DG . 51820 5 71 . DC . 51820 5 72 . DG . 51820 5 73 . DC . 51820 5 74 . DT . 51820 5 75 . DG . 51820 5 76 . DT . 51820 5 77 . DC . 51820 5 78 . DC . 51820 5 79 . DC . 51820 5 80 . DC . 51820 5 81 . DC . 51820 5 82 . DG . 51820 5 83 . DC . 51820 5 84 . DG . 51820 5 85 . DT . 51820 5 86 . DT . 51820 5 87 . DT . 51820 5 88 . DT . 51820 5 89 . DA . 51820 5 90 . DA . 51820 5 91 . DC . 51820 5 92 . DC . 51820 5 93 . DG . 51820 5 94 . DC . 51820 5 95 . DC . 51820 5 96 . DA . 51820 5 97 . DA . 51820 5 98 . DG . 51820 5 99 . DG . 51820 5 100 . DG . 51820 5 101 . DG . 51820 5 102 . DA . 51820 5 103 . DT . 51820 5 104 . DT . 51820 5 105 . DA . 51820 5 106 . DC . 51820 5 107 . DT . 51820 5 108 . DC . 51820 5 109 . DC . 51820 5 110 . DC . 51820 5 111 . DT . 51820 5 112 . DA . 51820 5 113 . DG . 51820 5 114 . DT . 51820 5 115 . DC . 51820 5 116 . DT . 51820 5 117 . DC . 51820 5 118 . DC . 51820 5 119 . DA . 51820 5 120 . DG . 51820 5 121 . DG . 51820 5 122 . DC . 51820 5 123 . DA . 51820 5 124 . DC . 51820 5 125 . DG . 51820 5 126 . DT . 51820 5 127 . DG . 51820 5 128 . DT . 51820 5 129 . DC . 51820 5 130 . DA . 51820 5 131 . DG . 51820 5 132 . DA . 51820 5 133 . DT . 51820 5 134 . DA . 51820 5 135 . DT . 51820 5 136 . DA . 51820 5 137 . DT . 51820 5 138 . DA . 51820 5 139 . DC . 51820 5 140 . DA . 51820 5 141 . DT . 51820 5 142 . DC . 51820 5 143 . DG . 51820 5 144 . DA . 51820 5 145 . DT . 51820 5 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 . DA 1 1 51820 5 . DT 2 2 51820 5 . DC 3 3 51820 5 . DA 4 4 51820 5 . DG 5 5 51820 5 . DA 6 6 51820 5 . DA 7 7 51820 5 . DT 8 8 51820 5 . DC 9 9 51820 5 . DC 10 10 51820 5 . DC 11 11 51820 5 . DG 12 12 51820 5 . DG 13 13 51820 5 . DT 14 14 51820 5 . DG 15 15 51820 5 . DC 16 16 51820 5 . DC 17 17 51820 5 . DG 18 18 51820 5 . DA 19 19 51820 5 . DG 20 20 51820 5 . DG 21 21 51820 5 . DC 22 22 51820 5 . DC 23 23 51820 5 . DG 24 24 51820 5 . DC 25 25 51820 5 . DT 26 26 51820 5 . DC 27 27 51820 5 . DA 28 28 51820 5 . DA 29 29 51820 5 . DT 30 30 51820 5 . DT 31 31 51820 5 . DG 32 32 51820 5 . DG 33 33 51820 5 . DT 34 34 51820 5 . DC 35 35 51820 5 . DG 36 36 51820 5 . DT 37 37 51820 5 . DA 38 38 51820 5 . DG 39 39 51820 5 . DA 40 40 51820 5 . DC 41 41 51820 5 . DA 42 42 51820 5 . DG 43 43 51820 5 . DC 44 44 51820 5 . DT 45 45 51820 5 . DC 46 46 51820 5 . DT 47 47 51820 5 . DA 48 48 51820 5 . DG 49 49 51820 5 . DC 50 50 51820 5 . DA 51 51 51820 5 . DC 52 52 51820 5 . DC 53 53 51820 5 . DG 54 54 51820 5 . DC 55 55 51820 5 . DT 56 56 51820 5 . DT 57 57 51820 5 . DA 58 58 51820 5 . DA 59 59 51820 5 . DA 60 60 51820 5 . DC 61 61 51820 5 . DG 62 62 51820 5 . DC 63 63 51820 5 . DA 64 64 51820 5 . DC 65 65 51820 5 . DG 66 66 51820 5 . DT 67 67 51820 5 . DA 68 68 51820 5 . DC 69 69 51820 5 . DG 70 70 51820 5 . DC 71 71 51820 5 . DG 72 72 51820 5 . DC 73 73 51820 5 . DT 74 74 51820 5 . DG 75 75 51820 5 . DT 76 76 51820 5 . DC 77 77 51820 5 . DC 78 78 51820 5 . DC 79 79 51820 5 . DC 80 80 51820 5 . DC 81 81 51820 5 . DG 82 82 51820 5 . DC 83 83 51820 5 . DG 84 84 51820 5 . DT 85 85 51820 5 . DT 86 86 51820 5 . DT 87 87 51820 5 . DT 88 88 51820 5 . DA 89 89 51820 5 . DA 90 90 51820 5 . DC 91 91 51820 5 . DC 92 92 51820 5 . DG 93 93 51820 5 . DC 94 94 51820 5 . DC 95 95 51820 5 . DA 96 96 51820 5 . DA 97 97 51820 5 . DG 98 98 51820 5 . DG 99 99 51820 5 . DG 100 100 51820 5 . DG 101 101 51820 5 . DA 102 102 51820 5 . DT 103 103 51820 5 . DT 104 104 51820 5 . DA 105 105 51820 5 . DC 106 106 51820 5 . DT 107 107 51820 5 . DC 108 108 51820 5 . DC 109 109 51820 5 . DC 110 110 51820 5 . DT 111 111 51820 5 . DA 112 112 51820 5 . DG 113 113 51820 5 . DT 114 114 51820 5 . DC 115 115 51820 5 . DT 116 116 51820 5 . DC 117 117 51820 5 . DC 118 118 51820 5 . DA 119 119 51820 5 . DG 120 120 51820 5 . DG 121 121 51820 5 . DC 122 122 51820 5 . DA 123 123 51820 5 . DC 124 124 51820 5 . DG 125 125 51820 5 . DT 126 126 51820 5 . DG 127 127 51820 5 . DT 128 128 51820 5 . DC 129 129 51820 5 . DA 130 130 51820 5 . DG 131 131 51820 5 . DA 132 132 51820 5 . DT 133 133 51820 5 . DA 134 134 51820 5 . DT 135 135 51820 5 . DA 136 136 51820 5 . DT 137 137 51820 5 . DA 138 138 51820 5 . DC 139 139 51820 5 . DA 140 140 51820 5 . DT 141 141 51820 5 . DC 142 142 51820 5 . DG 143 143 51820 5 . DA 144 144 51820 5 . DT 145 145 51820 5 stop_ save_ save_entity_6 _Entity.Sf_category entity _Entity.Sf_framecode entity_6 _Entity.Entry_ID 51820 _Entity.ID 6 _Entity.BMRB_code . _Entity.Name entity_6 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATCGATGTATATATCTGACA CGTGCCTGGAGACTAGGGAG TAATCCCCTTGGCGGTTAAA ACGCGGGGGACAGCGCGTAC GTGCGTTTAAGCGGTGCTAG AGCTGTCTACGACCAATTGA GCGGCCTCGGCACCGGGATT CTGAT ; _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 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 6 _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 . DA . 51820 6 2 . DT . 51820 6 3 . DC . 51820 6 4 . DG . 51820 6 5 . DA . 51820 6 6 . DT . 51820 6 7 . DG . 51820 6 8 . DT . 51820 6 9 . DA . 51820 6 10 . DT . 51820 6 11 . DA . 51820 6 12 . DT . 51820 6 13 . DA . 51820 6 14 . DT . 51820 6 15 . DC . 51820 6 16 . DT . 51820 6 17 . DG . 51820 6 18 . DA . 51820 6 19 . DC . 51820 6 20 . DA . 51820 6 21 . DC . 51820 6 22 . DG . 51820 6 23 . DT . 51820 6 24 . DG . 51820 6 25 . DC . 51820 6 26 . DC . 51820 6 27 . DT . 51820 6 28 . DG . 51820 6 29 . DG . 51820 6 30 . DA . 51820 6 31 . DG . 51820 6 32 . DA . 51820 6 33 . DC . 51820 6 34 . DT . 51820 6 35 . DA . 51820 6 36 . DG . 51820 6 37 . DG . 51820 6 38 . DG . 51820 6 39 . DA . 51820 6 40 . DG . 51820 6 41 . DT . 51820 6 42 . DA . 51820 6 43 . DA . 51820 6 44 . DT . 51820 6 45 . DC . 51820 6 46 . DC . 51820 6 47 . DC . 51820 6 48 . DC . 51820 6 49 . DT . 51820 6 50 . DT . 51820 6 51 . DG . 51820 6 52 . DG . 51820 6 53 . DC . 51820 6 54 . DG . 51820 6 55 . DG . 51820 6 56 . DT . 51820 6 57 . DT . 51820 6 58 . DA . 51820 6 59 . DA . 51820 6 60 . DA . 51820 6 61 . DA . 51820 6 62 . DC . 51820 6 63 . DG . 51820 6 64 . DC . 51820 6 65 . DG . 51820 6 66 . DG . 51820 6 67 . DG . 51820 6 68 . DG . 51820 6 69 . DG . 51820 6 70 . DA . 51820 6 71 . DC . 51820 6 72 . DA . 51820 6 73 . DG . 51820 6 74 . DC . 51820 6 75 . DG . 51820 6 76 . DC . 51820 6 77 . DG . 51820 6 78 . DT . 51820 6 79 . DA . 51820 6 80 . DC . 51820 6 81 . DG . 51820 6 82 . DT . 51820 6 83 . DG . 51820 6 84 . DC . 51820 6 85 . DG . 51820 6 86 . DT . 51820 6 87 . DT . 51820 6 88 . DT . 51820 6 89 . DA . 51820 6 90 . DA . 51820 6 91 . DG . 51820 6 92 . DC . 51820 6 93 . DG . 51820 6 94 . DG . 51820 6 95 . DT . 51820 6 96 . DG . 51820 6 97 . DC . 51820 6 98 . DT . 51820 6 99 . DA . 51820 6 100 . DG . 51820 6 101 . DA . 51820 6 102 . DG . 51820 6 103 . DC . 51820 6 104 . DT . 51820 6 105 . DG . 51820 6 106 . DT . 51820 6 107 . DC . 51820 6 108 . DT . 51820 6 109 . DA . 51820 6 110 . DC . 51820 6 111 . DG . 51820 6 112 . DA . 51820 6 113 . DC . 51820 6 114 . DC . 51820 6 115 . DA . 51820 6 116 . DA . 51820 6 117 . DT . 51820 6 118 . DT . 51820 6 119 . DG . 51820 6 120 . DA . 51820 6 121 . DG . 51820 6 122 . DC . 51820 6 123 . DG . 51820 6 124 . DG . 51820 6 125 . DC . 51820 6 126 . DC . 51820 6 127 . DT . 51820 6 128 . DC . 51820 6 129 . DG . 51820 6 130 . DG . 51820 6 131 . DC . 51820 6 132 . DA . 51820 6 133 . DC . 51820 6 134 . DC . 51820 6 135 . DG . 51820 6 136 . DG . 51820 6 137 . DG . 51820 6 138 . DA . 51820 6 139 . DT . 51820 6 140 . DT . 51820 6 141 . DC . 51820 6 142 . DT . 51820 6 143 . DG . 51820 6 144 . DA . 51820 6 145 . DT . 51820 6 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 . DA 1 1 51820 6 . DT 2 2 51820 6 . DC 3 3 51820 6 . DG 4 4 51820 6 . DA 5 5 51820 6 . DT 6 6 51820 6 . DG 7 7 51820 6 . DT 8 8 51820 6 . DA 9 9 51820 6 . DT 10 10 51820 6 . DA 11 11 51820 6 . DT 12 12 51820 6 . DA 13 13 51820 6 . DT 14 14 51820 6 . DC 15 15 51820 6 . DT 16 16 51820 6 . DG 17 17 51820 6 . DA 18 18 51820 6 . DC 19 19 51820 6 . DA 20 20 51820 6 . DC 21 21 51820 6 . DG 22 22 51820 6 . DT 23 23 51820 6 . DG 24 24 51820 6 . DC 25 25 51820 6 . DC 26 26 51820 6 . DT 27 27 51820 6 . DG 28 28 51820 6 . DG 29 29 51820 6 . DA 30 30 51820 6 . DG 31 31 51820 6 . DA 32 32 51820 6 . DC 33 33 51820 6 . DT 34 34 51820 6 . DA 35 35 51820 6 . DG 36 36 51820 6 . DG 37 37 51820 6 . DG 38 38 51820 6 . DA 39 39 51820 6 . DG 40 40 51820 6 . DT 41 41 51820 6 . DA 42 42 51820 6 . DA 43 43 51820 6 . DT 44 44 51820 6 . DC 45 45 51820 6 . DC 46 46 51820 6 . DC 47 47 51820 6 . DC 48 48 51820 6 . DT 49 49 51820 6 . DT 50 50 51820 6 . DG 51 51 51820 6 . DG 52 52 51820 6 . DC 53 53 51820 6 . DG 54 54 51820 6 . DG 55 55 51820 6 . DT 56 56 51820 6 . DT 57 57 51820 6 . DA 58 58 51820 6 . DA 59 59 51820 6 . DA 60 60 51820 6 . DA 61 61 51820 6 . DC 62 62 51820 6 . DG 63 63 51820 6 . DC 64 64 51820 6 . DG 65 65 51820 6 . DG 66 66 51820 6 . DG 67 67 51820 6 . DG 68 68 51820 6 . DG 69 69 51820 6 . DA 70 70 51820 6 . DC 71 71 51820 6 . DA 72 72 51820 6 . DG 73 73 51820 6 . DC 74 74 51820 6 . DG 75 75 51820 6 . DC 76 76 51820 6 . DG 77 77 51820 6 . DT 78 78 51820 6 . DA 79 79 51820 6 . DC 80 80 51820 6 . DG 81 81 51820 6 . DT 82 82 51820 6 . DG 83 83 51820 6 . DC 84 84 51820 6 . DG 85 85 51820 6 . DT 86 86 51820 6 . DT 87 87 51820 6 . DT 88 88 51820 6 . DA 89 89 51820 6 . DA 90 90 51820 6 . DG 91 91 51820 6 . DC 92 92 51820 6 . DG 93 93 51820 6 . DG 94 94 51820 6 . DT 95 95 51820 6 . DG 96 96 51820 6 . DC 97 97 51820 6 . DT 98 98 51820 6 . DA 99 99 51820 6 . DG 100 100 51820 6 . DA 101 101 51820 6 . DG 102 102 51820 6 . DC 103 103 51820 6 . DT 104 104 51820 6 . DG 105 105 51820 6 . DT 106 106 51820 6 . DC 107 107 51820 6 . DT 108 108 51820 6 . DA 109 109 51820 6 . DC 110 110 51820 6 . DG 111 111 51820 6 . DA 112 112 51820 6 . DC 113 113 51820 6 . DC 114 114 51820 6 . DA 115 115 51820 6 . DA 116 116 51820 6 . DT 117 117 51820 6 . DT 118 118 51820 6 . DG 119 119 51820 6 . DA 120 120 51820 6 . DG 121 121 51820 6 . DC 122 122 51820 6 . DG 123 123 51820 6 . DG 124 124 51820 6 . DC 125 125 51820 6 . DC 126 126 51820 6 . DT 127 127 51820 6 . DC 128 128 51820 6 . DG 129 129 51820 6 . DG 130 130 51820 6 . DC 131 131 51820 6 . DA 132 132 51820 6 . DC 133 133 51820 6 . DC 134 134 51820 6 . DG 135 135 51820 6 . DG 136 136 51820 6 . DG 137 137 51820 6 . DA 138 138 51820 6 . DT 139 139 51820 6 . DT 140 140 51820 6 . DC 141 141 51820 6 . DT 142 142 51820 6 . DG 143 143 51820 6 . DA 144 144 51820 6 . DT 145 145 51820 6 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 51820 _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 . 8355 organism . 'Xenopus laevis' 'African clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . . . . . . . 51820 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51820 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51820 1 4 4 $entity_4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51820 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 51820 _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 . . pET-3a . . . 51820 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-3a . . . 51820 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-3a . . . 51820 1 4 4 $entity_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-3a . . . 51820 1 5 5 $entity_5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . PUC19 . . . 51820 1 6 6 $entity_6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . PUC19 . . . 51820 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51820 _Sample.ID 1 _Sample.Name NCP _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system water _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 'NCP(13C, 15N labeled H2B )' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 33 . . '% w/w' . . . . 51820 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 51820 _Sample_condition_list.ID 1 _Sample_condition_list.Name 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 temperature 285 . K 51820 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51820 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51820 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51820 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51820 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51820 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51820 3 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 51820 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Advance III HD spectrometer' _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 51820 _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 DARR' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51820 1 2 '2D NCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51820 1 3 '2D NCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51820 1 4 '3D CANCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51820 1 5 '3D NCACX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51820 1 6 '3D NCOCX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51820 1 7 '1D 1H-13C CP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51820 1 8 '2D CC DREAM' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51820 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 51820 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name NCP_REF _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 adamantane 'methylene carbon' . . . . ppm 40.48 external direct 1 . . . . . 51820 1 N 15 adamantane 'methylene carbon' . . . . ppm 40.48 external indirect . . . . . . 51820 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 51820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '13C,15N solid-state NMR assignments of H2B globular domain in NCP' _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 DARR' . . . 51820 1 2 '2D NCA' . . . 51820 1 3 '2D NCO' . . . 51820 1 4 '3D CANCO' . . . 51820 1 5 '3D NCACX' . . . 51820 1 6 '3D NCOCX' . . . 51820 1 7 '1D 1H-13C CP' . . . 51820 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 . . 51820 1 2 $software_2 . . 51820 1 3 $software_3 . . 51820 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 30 30 ARG CA C 13 58.142 0.062 . 1 . . . . . 30 R CA . 51820 1 2 . 1 . 1 30 30 ARG CB C 13 33.154 0.139 . 1 . . . . . 30 R CB . 51820 1 3 . 1 . 1 30 30 ARG CD C 13 42.432 0.000 . 1 . . . . . 30 R CD . 51820 1 4 . 1 . 1 30 30 ARG N N 15 126.481 0.133 . 1 . . . . . 30 R N . 51820 1 5 . 1 . 1 31 31 LYS C C 13 175.500 0.000 . 1 . . . . . 31 K C . 51820 1 6 . 1 . 1 31 31 LYS CA C 13 55.058 0.136 . 1 . . . . . 31 K CA . 51820 1 7 . 1 . 1 31 31 LYS CB C 13 32.511 0.132 . 1 . . . . . 31 K CB . 51820 1 8 . 1 . 1 31 31 LYS CG C 13 24.622 0.000 . 1 . . . . . 31 K CG . 51820 1 9 . 1 . 1 31 31 LYS N N 15 127.759 0.091 . 1 . . . . . 31 K N . 51820 1 10 . 1 . 1 32 32 GLU C C 13 176.883 0.095 . 1 . . . . . 32 E C . 51820 1 11 . 1 . 1 32 32 GLU CA C 13 55.577 0.102 . 1 . . . . . 32 E CA . 51820 1 12 . 1 . 1 32 32 GLU CB C 13 30.913 0.094 . 1 . . . . . 32 E CB . 51820 1 13 . 1 . 1 32 32 GLU CG C 13 36.780 0.000 . 1 . . . . . 32 E CG . 51820 1 14 . 1 . 1 32 32 GLU CD C 13 184.100 0.040 . 1 . . . . . 32 E CD . 51820 1 15 . 1 . 1 32 32 GLU N N 15 123.123 0.179 . 1 . . . . . 32 E N . 51820 1 16 . 1 . 1 33 33 SER C C 13 174.934 0.138 . 1 . . . . . 33 S C . 51820 1 17 . 1 . 1 33 33 SER CA C 13 57.925 0.121 . 1 . . . . . 33 S CA . 51820 1 18 . 1 . 1 33 33 SER CB C 13 65.930 0.079 . 1 . . . . . 33 S CB . 51820 1 19 . 1 . 1 33 33 SER N N 15 116.895 0.141 . 1 . . . . . 33 S N . 51820 1 20 . 1 . 1 34 34 TYR C C 13 175.748 0.041 . 1 . . . . . 34 Y C . 51820 1 21 . 1 . 1 34 34 TYR CA C 13 59.823 0.086 . 1 . . . . . 34 Y CA . 51820 1 22 . 1 . 1 34 34 TYR CB C 13 37.268 0.000 . 1 . . . . . 34 Y CB . 51820 1 23 . 1 . 1 34 34 TYR N N 15 117.268 0.201 . 1 . . . . . 34 Y N . 51820 1 24 . 1 . 1 35 35 ALA C C 13 179.739 0.058 . 1 . . . . . 35 A C . 51820 1 25 . 1 . 1 35 35 ALA CA C 13 57.117 0.071 . 1 . . . . . 35 A CA . 51820 1 26 . 1 . 1 35 35 ALA CB C 13 18.957 0.046 . 1 . . . . . 35 A CB . 51820 1 27 . 1 . 1 35 35 ALA N N 15 125.019 0.166 . 1 . . . . . 35 A N . 51820 1 28 . 1 . 1 36 36 ILE C C 13 177.838 0.022 . 1 . . . . . 36 I C . 51820 1 29 . 1 . 1 36 36 ILE CA C 13 65.106 0.067 . 1 . . . . . 36 I CA . 51820 1 30 . 1 . 1 36 36 ILE CB C 13 36.963 0.000 . 1 . . . . . 36 I CB . 51820 1 31 . 1 . 1 36 36 ILE CD1 C 13 15.594 0.000 . 1 . . . . . 36 I CD1 . 51820 1 32 . 1 . 1 36 36 ILE N N 15 114.145 0.177 . 1 . . . . . 36 I N . 51820 1 33 . 1 . 1 37 37 TYR C C 13 177.977 0.175 . 1 . . . . . 37 Y C . 51820 1 34 . 1 . 1 37 37 TYR CA C 13 59.109 0.072 . 1 . . . . . 37 Y CA . 51820 1 35 . 1 . 1 37 37 TYR CB C 13 37.197 0.134 . 1 . . . . . 37 Y CB . 51820 1 36 . 1 . 1 37 37 TYR N N 15 121.970 0.118 . 1 . . . . . 37 Y N . 51820 1 37 . 1 . 1 38 38 VAL C C 13 177.937 0.063 . 1 . . . . . 38 V C . 51820 1 38 . 1 . 1 38 38 VAL CA C 13 67.134 0.023 . 1 . . . . . 38 V CA . 51820 1 39 . 1 . 1 38 38 VAL CB C 13 31.495 0.000 . 1 . . . . . 38 V CB . 51820 1 40 . 1 . 1 38 38 VAL CG1 C 13 21.922 0.000 . 2 . . . . . 38 V CG1 . 51820 1 41 . 1 . 1 38 38 VAL CG2 C 13 23.910 0.000 . 2 . . . . . 38 V CG2 . 51820 1 42 . 1 . 1 38 38 VAL N N 15 119.477 0.086 . 1 . . . . . 38 V N . 51820 1 43 . 1 . 1 39 39 TYR C C 13 177.733 0.124 . 1 . . . . . 39 Y C . 51820 1 44 . 1 . 1 39 39 TYR CA C 13 62.881 0.124 . 1 . . . . . 39 Y CA . 51820 1 45 . 1 . 1 39 39 TYR CB C 13 38.381 0.000 . 1 . . . . . 39 Y CB . 51820 1 46 . 1 . 1 39 39 TYR N N 15 119.402 0.258 . 1 . . . . . 39 Y N . 51820 1 47 . 1 . 1 40 40 LYS C C 13 180.221 0.062 . 1 . . . . . 40 K C . 51820 1 48 . 1 . 1 40 40 LYS CA C 13 60.369 0.073 . 1 . . . . . 40 K CA . 51820 1 49 . 1 . 1 40 40 LYS CB C 13 32.803 0.116 . 1 . . . . . 40 K CB . 51820 1 50 . 1 . 1 40 40 LYS CG C 13 26.761 0.000 . 1 . . . . . 40 K CG . 51820 1 51 . 1 . 1 40 40 LYS N N 15 117.147 0.203 . 1 . . . . . 40 K N . 51820 1 52 . 1 . 1 41 41 VAL C C 13 178.192 0.106 . 1 . . . . . 41 V C . 51820 1 53 . 1 . 1 41 41 VAL CA C 13 66.455 0.067 . 1 . . . . . 41 V CA . 51820 1 54 . 1 . 1 41 41 VAL CB C 13 31.667 0.032 . 1 . . . . . 41 V CB . 51820 1 55 . 1 . 1 41 41 VAL CG1 C 13 21.960 0.068 . 2 . . . . . 41 V CG1 . 51820 1 56 . 1 . 1 41 41 VAL CG2 C 13 24.000 0.030 . 2 . . . . . 41 V CG2 . 51820 1 57 . 1 . 1 41 41 VAL N N 15 119.725 0.069 . 1 . . . . . 41 V N . 51820 1 58 . 1 . 1 42 42 LEU C C 13 177.203 0.161 . 1 . . . . . 42 L C . 51820 1 59 . 1 . 1 42 42 LEU CA C 13 59.344 0.112 . 1 . . . . . 42 L CA . 51820 1 60 . 1 . 1 42 42 LEU CB C 13 37.049 0.066 . 1 . . . . . 42 L CB . 51820 1 61 . 1 . 1 42 42 LEU N N 15 122.067 0.157 . 1 . . . . . 42 L N . 51820 1 62 . 1 . 1 43 43 LYS C C 13 178.139 0.082 . 1 . . . . . 43 K C . 51820 1 63 . 1 . 1 43 43 LYS CA C 13 56.831 0.115 . 1 . . . . . 43 K CA . 51820 1 64 . 1 . 1 43 43 LYS CB C 13 31.837 0.045 . 1 . . . . . 43 K CB . 51820 1 65 . 1 . 1 43 43 LYS CG C 13 23.574 0.066 . 1 . . . . . 43 K CG . 51820 1 66 . 1 . 1 43 43 LYS CD C 13 26.891 0.000 . 1 . . . . . 43 K CD . 51820 1 67 . 1 . 1 43 43 LYS CE C 13 43.213 0.103 . 1 . . . . . 43 K CE . 51820 1 68 . 1 . 1 43 43 LYS N N 15 113.539 0.071 . 1 . . . . . 43 K N . 51820 1 69 . 1 . 1 44 44 GLN C C 13 178.067 0.103 . 1 . . . . . 44 Q C . 51820 1 70 . 1 . 1 44 44 GLN CA C 13 58.081 0.099 . 1 . . . . . 44 Q CA . 51820 1 71 . 1 . 1 44 44 GLN CB C 13 29.280 0.075 . 1 . . . . . 44 Q CB . 51820 1 72 . 1 . 1 44 44 GLN CG C 13 34.105 0.067 . 1 . . . . . 44 Q CG . 51820 1 73 . 1 . 1 44 44 GLN CD C 13 180.229 0.061 . 1 . . . . . 44 Q CD . 51820 1 74 . 1 . 1 44 44 GLN N N 15 116.332 0.163 . 1 . . . . . 44 Q N . 51820 1 75 . 1 . 1 45 45 VAL C C 13 176.243 0.075 . 1 . . . . . 45 V C . 51820 1 76 . 1 . 1 45 45 VAL CA C 13 63.761 0.078 . 1 . . . . . 45 V CA . 51820 1 77 . 1 . 1 45 45 VAL CB C 13 33.080 0.050 . 1 . . . . . 45 V CB . 51820 1 78 . 1 . 1 45 45 VAL CG1 C 13 20.222 0.052 . 2 . . . . . 45 V CG1 . 51820 1 79 . 1 . 1 45 45 VAL CG2 C 13 21.782 0.056 . 2 . . . . . 45 V CG2 . 51820 1 80 . 1 . 1 45 45 VAL N N 15 114.152 0.133 . 1 . . . . . 45 V N . 51820 1 81 . 1 . 1 46 46 HIS C C 13 172.770 0.070 . 1 . . . . . 46 H C . 51820 1 82 . 1 . 1 46 46 HIS CA C 13 54.297 0.089 . 1 . . . . . 46 H CA . 51820 1 83 . 1 . 1 46 46 HIS CB C 13 32.914 0.096 . 1 . . . . . 46 H CB . 51820 1 84 . 1 . 1 46 46 HIS CE1 C 13 140.259 0.000 . 1 . . . . . 46 H CE1 . 51820 1 85 . 1 . 1 46 46 HIS N N 15 119.984 0.100 . 1 . . . . . 46 H N . 51820 1 86 . 1 . 1 47 47 PRO C C 13 177.812 0.070 . 1 . . . . . 47 P C . 51820 1 87 . 1 . 1 47 47 PRO CA C 13 65.436 0.079 . 1 . . . . . 47 P CA . 51820 1 88 . 1 . 1 47 47 PRO CB C 13 32.607 0.031 . 1 . . . . . 47 P CB . 51820 1 89 . 1 . 1 47 47 PRO CG C 13 27.098 0.043 . 1 . . . . . 47 P CG . 51820 1 90 . 1 . 1 47 47 PRO CD C 13 50.131 0.070 . 1 . . . . . 47 P CD . 51820 1 91 . 1 . 1 47 47 PRO N N 15 134.915 0.021 . 1 . . . . . 47 P N . 51820 1 92 . 1 . 1 48 48 ASP C C 13 176.502 0.085 . 1 . . . . . 48 D C . 51820 1 93 . 1 . 1 48 48 ASP CA C 13 53.816 0.110 . 1 . . . . . 48 D CA . 51820 1 94 . 1 . 1 48 48 ASP CB C 13 41.165 0.055 . 1 . . . . . 48 D CB . 51820 1 95 . 1 . 1 48 48 ASP CG C 13 181.338 0.027 . 1 . . . . . 48 D CG . 51820 1 96 . 1 . 1 48 48 ASP N N 15 117.210 0.000 . 1 . . . . . 48 D N . 51820 1 97 . 1 . 1 49 49 THR C C 13 173.798 0.051 . 1 . . . . . 49 T C . 51820 1 98 . 1 . 1 49 49 THR CA C 13 62.982 0.084 . 1 . . . . . 49 T CA . 51820 1 99 . 1 . 1 49 49 THR CB C 13 70.430 0.067 . 1 . . . . . 49 T CB . 51820 1 100 . 1 . 1 49 49 THR CG2 C 13 21.903 0.054 . 1 . . . . . 49 T CG2 . 51820 1 101 . 1 . 1 49 49 THR N N 15 120.375 0.192 . 1 . . . . . 49 T N . 51820 1 102 . 1 . 1 50 50 GLY C C 13 173.893 0.108 . 1 . . . . . 50 G C . 51820 1 103 . 1 . 1 50 50 GLY CA C 13 43.781 0.045 . 1 . . . . . 50 G CA . 51820 1 104 . 1 . 1 50 50 GLY N N 15 114.270 0.184 . 1 . . . . . 50 G N . 51820 1 105 . 1 . 1 51 51 ILE C C 13 172.900 0.222 . 1 . . . . . 51 I C . 51820 1 106 . 1 . 1 51 51 ILE CA C 13 60.418 0.121 . 1 . . . . . 51 I CA . 51820 1 107 . 1 . 1 51 51 ILE CB C 13 41.366 0.054 . 1 . . . . . 51 I CB . 51820 1 108 . 1 . 1 51 51 ILE CG1 C 13 30.215 0.108 . 1 . . . . . 51 I CG1 . 51820 1 109 . 1 . 1 51 51 ILE CG2 C 13 15.733 0.055 . 1 . . . . . 51 I CG2 . 51820 1 110 . 1 . 1 51 51 ILE CD1 C 13 13.123 0.046 . 1 . . . . . 51 I CD1 . 51820 1 111 . 1 . 1 51 51 ILE N N 15 118.665 0.129 . 1 . . . . . 51 I N . 51820 1 112 . 1 . 1 52 52 SER C C 13 175.197 0.084 . 1 . . . . . 52 S C . 51820 1 113 . 1 . 1 52 52 SER CA C 13 57.478 0.107 . 1 . . . . . 52 S CA . 51820 1 114 . 1 . 1 52 52 SER CB C 13 65.797 0.083 . 1 . . . . . 52 S CB . 51820 1 115 . 1 . 1 52 52 SER N N 15 123.770 0.183 . 1 . . . . . 52 S N . 51820 1 116 . 1 . 1 53 53 SER C C 13 178.768 0.078 . 1 . . . . . 53 S C . 51820 1 117 . 1 . 1 53 53 SER CA C 13 62.324 0.045 . 1 . . . . . 53 S CA . 51820 1 118 . 1 . 1 53 53 SER N N 15 119.039 0.078 . 1 . . . . . 53 S N . 51820 1 119 . 1 . 1 54 54 LYS C C 13 179.603 0.113 . 1 . . . . . 54 K C . 51820 1 120 . 1 . 1 54 54 LYS CA C 13 58.349 0.102 . 1 . . . . . 54 K CA . 51820 1 121 . 1 . 1 54 54 LYS CB C 13 31.780 0.034 . 1 . . . . . 54 K CB . 51820 1 122 . 1 . 1 54 54 LYS CG C 13 26.788 0.036 . 1 . . . . . 54 K CG . 51820 1 123 . 1 . 1 54 54 LYS CD C 13 29.902 0.029 . 1 . . . . . 54 K CD . 51820 1 124 . 1 . 1 54 54 LYS CE C 13 42.375 0.068 . 1 . . . . . 54 K CE . 51820 1 125 . 1 . 1 54 54 LYS N N 15 122.056 0.096 . 1 . . . . . 54 K N . 51820 1 126 . 1 . 1 55 55 ALA C C 13 178.942 0.077 . 1 . . . . . 55 A C . 51820 1 127 . 1 . 1 55 55 ALA CA C 13 55.217 0.092 . 1 . . . . . 55 A CA . 51820 1 128 . 1 . 1 55 55 ALA CB C 13 18.850 0.073 . 1 . . . . . 55 A CB . 51820 1 129 . 1 . 1 55 55 ALA N N 15 120.709 0.162 . 1 . . . . . 55 A N . 51820 1 130 . 1 . 1 56 56 MET C C 13 178.114 0.081 . 1 . . . . . 56 M C . 51820 1 131 . 1 . 1 56 56 MET CA C 13 57.781 0.139 . 1 . . . . . 56 M CA . 51820 1 132 . 1 . 1 56 56 MET CB C 13 31.725 0.088 . 1 . . . . . 56 M CB . 51820 1 133 . 1 . 1 56 56 MET CG C 13 32.877 0.067 . 1 . . . . . 56 M CG . 51820 1 134 . 1 . 1 56 56 MET CE C 13 18.871 0.028 . 1 . . . . . 56 M CE . 51820 1 135 . 1 . 1 56 56 MET N N 15 119.962 0.135 . 1 . . . . . 56 M N . 51820 1 136 . 1 . 1 57 57 SER C C 13 178.613 0.099 . 1 . . . . . 57 S C . 51820 1 137 . 1 . 1 57 57 SER CA C 13 61.283 0.044 . 1 . . . . . 57 S CA . 51820 1 138 . 1 . 1 57 57 SER CB C 13 63.037 0.075 . 1 . . . . . 57 S CB . 51820 1 139 . 1 . 1 57 57 SER N N 15 115.545 0.142 . 1 . . . . . 57 S N . 51820 1 140 . 1 . 1 58 58 ILE C C 13 176.909 0.106 . 1 . . . . . 58 I C . 51820 1 141 . 1 . 1 58 58 ILE CA C 13 65.663 0.065 . 1 . . . . . 58 I CA . 51820 1 142 . 1 . 1 58 58 ILE CB C 13 36.823 0.042 . 1 . . . . . 58 I CB . 51820 1 143 . 1 . 1 58 58 ILE CG1 C 13 29.833 0.027 . 1 . . . . . 58 I CG1 . 51820 1 144 . 1 . 1 58 58 ILE CG2 C 13 18.779 0.055 . 1 . . . . . 58 I CG2 . 51820 1 145 . 1 . 1 58 58 ILE CD1 C 13 14.976 0.039 . 1 . . . . . 58 I CD1 . 51820 1 146 . 1 . 1 58 58 ILE N N 15 121.609 0.167 . 1 . . . . . 58 I N . 51820 1 147 . 1 . 1 59 59 MET C C 13 178.852 0.062 . 1 . . . . . 59 M C . 51820 1 148 . 1 . 1 59 59 MET CA C 13 55.456 0.087 . 1 . . . . . 59 M CA . 51820 1 149 . 1 . 1 59 59 MET CB C 13 28.795 0.103 . 1 . . . . . 59 M CB . 51820 1 150 . 1 . 1 59 59 MET CG C 13 31.096 0.131 . 1 . . . . . 59 M CG . 51820 1 151 . 1 . 1 59 59 MET CE C 13 15.400 0.038 . 1 . . . . . 59 M CE . 51820 1 152 . 1 . 1 59 59 MET N N 15 117.543 0.173 . 1 . . . . . 59 M N . 51820 1 153 . 1 . 1 60 60 ASN C C 13 178.051 0.070 . 1 . . . . . 60 N C . 51820 1 154 . 1 . 1 60 60 ASN CA C 13 58.058 0.056 . 1 . . . . . 60 N CA . 51820 1 155 . 1 . 1 60 60 ASN CB C 13 39.929 0.046 . 1 . . . . . 60 N CB . 51820 1 156 . 1 . 1 60 60 ASN CG C 13 181.341 0.000 . 1 . . . . . 60 N CG . 51820 1 157 . 1 . 1 60 60 ASN N N 15 119.641 0.137 . 1 . . . . . 60 N N . 51820 1 158 . 1 . 1 61 61 SER C C 13 175.885 0.075 . 1 . . . . . 61 S C . 51820 1 159 . 1 . 1 61 61 SER CA C 13 62.935 0.108 . 1 . . . . . 61 S CA . 51820 1 160 . 1 . 1 61 61 SER CB C 13 63.303 0.141 . 1 . . . . . 61 S CB . 51820 1 161 . 1 . 1 61 61 SER N N 15 116.240 0.105 . 1 . . . . . 61 S N . 51820 1 162 . 1 . 1 62 62 PHE C C 13 175.799 0.020 . 1 . . . . . 62 F C . 51820 1 163 . 1 . 1 62 62 PHE CA C 13 60.148 0.062 . 1 . . . . . 62 F CA . 51820 1 164 . 1 . 1 62 62 PHE CB C 13 38.272 0.042 . 1 . . . . . 62 F CB . 51820 1 165 . 1 . 1 62 62 PHE N N 15 124.817 0.092 . 1 . . . . . 62 F N . 51820 1 166 . 1 . 1 63 63 VAL C C 13 177.869 0.056 . 1 . . . . . 63 V C . 51820 1 167 . 1 . 1 63 63 VAL CA C 13 67.190 0.102 . 1 . . . . . 63 V CA . 51820 1 168 . 1 . 1 63 63 VAL CB C 13 31.683 0.045 . 1 . . . . . 63 V CB . 51820 1 169 . 1 . 1 63 63 VAL CG1 C 13 22.550 0.076 . 2 . . . . . 63 V CG1 . 51820 1 170 . 1 . 1 63 63 VAL N N 15 119.351 0.073 . 1 . . . . . 63 V N . 51820 1 171 . 1 . 1 64 64 ASN C C 13 177.023 0.128 . 1 . . . . . 64 N C . 51820 1 172 . 1 . 1 64 64 ASN CA C 13 57.008 0.068 . 1 . . . . . 64 N CA . 51820 1 173 . 1 . 1 64 64 ASN CB C 13 39.729 0.087 . 1 . . . . . 64 N CB . 51820 1 174 . 1 . 1 64 64 ASN N N 15 114.836 0.092 . 1 . . . . . 64 N N . 51820 1 175 . 1 . 1 65 65 ASP C C 13 177.762 0.102 . 1 . . . . . 65 D C . 51820 1 176 . 1 . 1 65 65 ASP CA C 13 56.819 0.096 . 1 . . . . . 65 D CA . 51820 1 177 . 1 . 1 65 65 ASP CB C 13 40.962 0.058 . 1 . . . . . 65 D CB . 51820 1 178 . 1 . 1 65 65 ASP CG C 13 180.240 0.045 . 1 . . . . . 65 D CG . 51820 1 179 . 1 . 1 65 65 ASP N N 15 119.401 0.118 . 1 . . . . . 65 D N . 51820 1 180 . 1 . 1 66 66 VAL C C 13 177.773 0.057 . 1 . . . . . 66 V C . 51820 1 181 . 1 . 1 66 66 VAL CA C 13 67.770 0.091 . 1 . . . . . 66 V CA . 51820 1 182 . 1 . 1 66 66 VAL CB C 13 30.808 0.057 . 1 . . . . . 66 V CB . 51820 1 183 . 1 . 1 66 66 VAL CG1 C 13 22.527 0.033 . 2 . . . . . 66 V CG1 . 51820 1 184 . 1 . 1 66 66 VAL CG2 C 13 23.346 0.057 . 2 . . . . . 66 V CG2 . 51820 1 185 . 1 . 1 66 66 VAL N N 15 116.780 0.112 . 1 . . . . . 66 V N . 51820 1 186 . 1 . 1 67 67 PHE C C 13 176.082 0.111 . 1 . . . . . 67 F C . 51820 1 187 . 1 . 1 67 67 PHE CA C 13 62.634 0.100 . 1 . . . . . 67 F CA . 51820 1 188 . 1 . 1 67 67 PHE CB C 13 39.033 0.086 . 1 . . . . . 67 F CB . 51820 1 189 . 1 . 1 67 67 PHE CD1 C 13 131.990 0.123 . 3 . . . . . 67 F CD# . 51820 1 190 . 1 . 1 67 67 PHE CD2 C 13 131.990 0.123 . 3 . . . . . 67 F CD# . 51820 1 191 . 1 . 1 67 67 PHE CE1 C 13 131.990 0.123 . 3 . . . . . 67 F CE# . 51820 1 192 . 1 . 1 67 67 PHE CE2 C 13 131.990 0.123 . 3 . . . . . 67 F CE# . 51820 1 193 . 1 . 1 67 67 PHE N N 15 120.467 0.159 . 1 . . . . . 67 F N . 51820 1 194 . 1 . 1 68 68 GLU C C 13 181.236 0.089 . 1 . . . . . 68 E C . 51820 1 195 . 1 . 1 68 68 GLU CA C 13 59.784 0.103 . 1 . . . . . 68 E CA . 51820 1 196 . 1 . 1 68 68 GLU CB C 13 29.878 0.055 . 1 . . . . . 68 E CB . 51820 1 197 . 1 . 1 68 68 GLU CG C 13 35.908 0.113 . 1 . . . . . 68 E CG . 51820 1 198 . 1 . 1 68 68 GLU CD C 13 184.191 0.205 . 1 . . . . . 68 E CD . 51820 1 199 . 1 . 1 68 68 GLU N N 15 119.233 0.205 . 1 . . . . . 68 E N . 51820 1 200 . 1 . 1 69 69 ARG C C 13 179.897 0.083 . 1 . . . . . 69 R C . 51820 1 201 . 1 . 1 69 69 ARG CA C 13 59.832 0.069 . 1 . . . . . 69 R CA . 51820 1 202 . 1 . 1 69 69 ARG CB C 13 31.847 0.144 . 1 . . . . . 69 R CB . 51820 1 203 . 1 . 1 69 69 ARG CG C 13 26.528 0.056 . 1 . . . . . 69 R CG . 51820 1 204 . 1 . 1 69 69 ARG CD C 13 45.245 0.082 . 1 . . . . . 69 R CD . 51820 1 205 . 1 . 1 69 69 ARG CZ C 13 159.965 0.000 . 1 . . . . . 69 R CZ . 51820 1 206 . 1 . 1 69 69 ARG N N 15 119.994 0.073 . 1 . . . . . 69 R N . 51820 1 207 . 1 . 1 70 70 ILE C C 13 177.123 0.119 . 1 . . . . . 70 I C . 51820 1 208 . 1 . 1 70 70 ILE CA C 13 65.245 0.113 . 1 . . . . . 70 I CA . 51820 1 209 . 1 . 1 70 70 ILE CB C 13 37.819 0.032 . 1 . . . . . 70 I CB . 51820 1 210 . 1 . 1 70 70 ILE CG1 C 13 29.687 0.061 . 1 . . . . . 70 I CG1 . 51820 1 211 . 1 . 1 70 70 ILE CG2 C 13 18.581 0.059 . 1 . . . . . 70 I CG2 . 51820 1 212 . 1 . 1 70 70 ILE CD1 C 13 14.304 0.035 . 1 . . . . . 70 I CD1 . 51820 1 213 . 1 . 1 70 70 ILE N N 15 118.852 0.167 . 1 . . . . . 70 I N . 51820 1 214 . 1 . 1 71 71 ALA C C 13 179.265 0.089 . 1 . . . . . 71 A C . 51820 1 215 . 1 . 1 71 71 ALA CA C 13 55.792 0.062 . 1 . . . . . 71 A CA . 51820 1 216 . 1 . 1 71 71 ALA CB C 13 16.388 0.049 . 1 . . . . . 71 A CB . 51820 1 217 . 1 . 1 71 71 ALA N N 15 122.354 0.097 . 1 . . . . . 71 A N . 51820 1 218 . 1 . 1 72 72 GLY C C 13 176.675 0.092 . 1 . . . . . 72 G C . 51820 1 219 . 1 . 1 72 72 GLY CA C 13 47.071 0.084 . 1 . . . . . 72 G CA . 51820 1 220 . 1 . 1 72 72 GLY N N 15 103.748 0.114 . 1 . . . . . 72 G N . 51820 1 221 . 1 . 1 73 73 GLU C C 13 178.612 0.163 . 1 . . . . . 73 E C . 51820 1 222 . 1 . 1 73 73 GLU CA C 13 58.587 0.093 . 1 . . . . . 73 E CA . 51820 1 223 . 1 . 1 73 73 GLU CB C 13 29.909 0.091 . 1 . . . . . 73 E CB . 51820 1 224 . 1 . 1 73 73 GLU CG C 13 36.702 0.020 . 1 . . . . . 73 E CG . 51820 1 225 . 1 . 1 73 73 GLU CD C 13 184.385 0.013 . 1 . . . . . 73 E CD . 51820 1 226 . 1 . 1 73 73 GLU N N 15 122.772 0.074 . 1 . . . . . 73 E N . 51820 1 227 . 1 . 1 74 74 ALA C C 13 178.509 0.117 . 1 . . . . . 74 A C . 51820 1 228 . 1 . 1 74 74 ALA CA C 13 55.269 0.058 . 1 . . . . . 74 A CA . 51820 1 229 . 1 . 1 74 74 ALA CB C 13 18.043 0.048 . 1 . . . . . 74 A CB . 51820 1 230 . 1 . 1 74 74 ALA N N 15 122.162 0.126 . 1 . . . . . 74 A N . 51820 1 231 . 1 . 1 75 75 SER C C 13 178.553 0.063 . 1 . . . . . 75 S C . 51820 1 232 . 1 . 1 75 75 SER CA C 13 60.807 0.070 . 1 . . . . . 75 S CA . 51820 1 233 . 1 . 1 75 75 SER CB C 13 63.631 0.054 . 1 . . . . . 75 S CB . 51820 1 234 . 1 . 1 75 75 SER N N 15 111.047 0.074 . 1 . . . . . 75 S N . 51820 1 235 . 1 . 1 76 76 ARG C C 13 177.694 0.129 . 1 . . . . . 76 R C . 51820 1 236 . 1 . 1 76 76 ARG CA C 13 59.854 0.107 . 1 . . . . . 76 R CA . 51820 1 237 . 1 . 1 76 76 ARG CB C 13 30.204 0.032 . 1 . . . . . 76 R CB . 51820 1 238 . 1 . 1 76 76 ARG CG C 13 28.635 0.121 . 1 . . . . . 76 R CG . 51820 1 239 . 1 . 1 76 76 ARG CD C 13 43.202 0.129 . 1 . . . . . 76 R CD . 51820 1 240 . 1 . 1 76 76 ARG CZ C 13 159.121 0.000 . 1 . . . . . 76 R CZ . 51820 1 241 . 1 . 1 76 76 ARG N N 15 121.838 0.132 . 1 . . . . . 76 R N . 51820 1 242 . 1 . 1 77 77 LEU C C 13 179.716 0.134 . 1 . . . . . 77 L C . 51820 1 243 . 1 . 1 77 77 LEU CA C 13 58.627 0.079 . 1 . . . . . 77 L CA . 51820 1 244 . 1 . 1 77 77 LEU CB C 13 43.274 0.118 . 1 . . . . . 77 L CB . 51820 1 245 . 1 . 1 77 77 LEU CG C 13 27.160 0.000 . 1 . . . . . 77 L CG . 51820 1 246 . 1 . 1 77 77 LEU CD2 C 13 25.010 0.000 . 2 . . . . . 77 L CD2 . 51820 1 247 . 1 . 1 77 77 LEU N N 15 119.025 0.215 . 1 . . . . . 77 L N . 51820 1 248 . 1 . 1 78 78 ALA C C 13 179.405 0.048 . 1 . . . . . 78 A C . 51820 1 249 . 1 . 1 78 78 ALA CA C 13 55.813 0.041 . 1 . . . . . 78 A CA . 51820 1 250 . 1 . 1 78 78 ALA CB C 13 16.961 0.042 . 1 . . . . . 78 A CB . 51820 1 251 . 1 . 1 78 78 ALA N N 15 121.520 0.196 . 1 . . . . . 78 A N . 51820 1 252 . 1 . 1 79 79 HIS C C 13 180.878 0.180 . 1 . . . . . 79 H C . 51820 1 253 . 1 . 1 79 79 HIS CA C 13 60.167 0.051 . 1 . . . . . 79 H CA . 51820 1 254 . 1 . 1 79 79 HIS CB C 13 33.837 0.015 . 1 . . . . . 79 H CB . 51820 1 255 . 1 . 1 79 79 HIS CG C 13 132.562 0.000 . 1 . . . . . 79 H CG . 51820 1 256 . 1 . 1 79 79 HIS N N 15 117.797 0.092 . 1 . . . . . 79 H N . 51820 1 257 . 1 . 1 80 80 TYR C C 13 177.460 0.043 . 1 . . . . . 80 Y C . 51820 1 258 . 1 . 1 80 80 TYR CA C 13 57.689 0.176 . 1 . . . . . 80 Y CA . 51820 1 259 . 1 . 1 80 80 TYR CB C 13 43.182 0.088 . 1 . . . . . 80 Y CB . 51820 1 260 . 1 . 1 80 80 TYR N N 15 121.942 0.179 . 1 . . . . . 80 Y N . 51820 1 261 . 1 . 1 81 81 ASN C C 13 172.617 0.068 . 1 . . . . . 81 N C . 51820 1 262 . 1 . 1 81 81 ASN CA C 13 54.145 0.082 . 1 . . . . . 81 N CA . 51820 1 263 . 1 . 1 81 81 ASN CB C 13 40.407 0.091 . 1 . . . . . 81 N CB . 51820 1 264 . 1 . 1 81 81 ASN CG C 13 179.480 0.061 . 1 . . . . . 81 N CG . 51820 1 265 . 1 . 1 81 81 ASN N N 15 114.317 0.100 . 1 . . . . . 81 N N . 51820 1 266 . 1 . 1 82 82 LYS C C 13 175.811 0.119 . 1 . . . . . 82 K C . 51820 1 267 . 1 . 1 82 82 LYS CA C 13 57.368 0.100 . 1 . . . . . 82 K CA . 51820 1 268 . 1 . 1 82 82 LYS CB C 13 29.184 0.104 . 1 . . . . . 82 K CB . 51820 1 269 . 1 . 1 82 82 LYS CG C 13 25.274 0.036 . 1 . . . . . 82 K CG . 51820 1 270 . 1 . 1 82 82 LYS CD C 13 28.252 0.000 . 1 . . . . . 82 K CD . 51820 1 271 . 1 . 1 82 82 LYS CE C 13 42.198 0.059 . 1 . . . . . 82 K CE . 51820 1 272 . 1 . 1 82 82 LYS N N 15 116.274 0.117 . 1 . . . . . 82 K N . 51820 1 273 . 1 . 1 83 83 ARG C C 13 177.435 0.090 . 1 . . . . . 83 R C . 51820 1 274 . 1 . 1 83 83 ARG CA C 13 53.524 0.074 . 1 . . . . . 83 R CA . 51820 1 275 . 1 . 1 83 83 ARG CB C 13 33.090 0.092 . 1 . . . . . 83 R CB . 51820 1 276 . 1 . 1 83 83 ARG CG C 13 27.194 0.097 . 1 . . . . . 83 R CG . 51820 1 277 . 1 . 1 83 83 ARG CD C 13 43.594 0.080 . 1 . . . . . 83 R CD . 51820 1 278 . 1 . 1 83 83 ARG N N 15 117.142 0.120 . 1 . . . . . 83 R N . 51820 1 279 . 1 . 1 84 84 SER C C 13 172.574 0.080 . 1 . . . . . 84 S C . 51820 1 280 . 1 . 1 84 84 SER CA C 13 59.686 0.085 . 1 . . . . . 84 S CA . 51820 1 281 . 1 . 1 84 84 SER CB C 13 64.469 0.071 . 1 . . . . . 84 S CB . 51820 1 282 . 1 . 1 84 84 SER N N 15 117.857 0.154 . 1 . . . . . 84 S N . 51820 1 283 . 1 . 1 85 85 THR C C 13 174.887 0.058 . 1 . . . . . 85 T C . 51820 1 284 . 1 . 1 85 85 THR CA C 13 60.882 0.061 . 1 . . . . . 85 T CA . 51820 1 285 . 1 . 1 85 85 THR CB C 13 69.562 0.078 . 1 . . . . . 85 T CB . 51820 1 286 . 1 . 1 85 85 THR CG2 C 13 21.365 0.082 . 1 . . . . . 85 T CG2 . 51820 1 287 . 1 . 1 85 85 THR N N 15 116.024 0.132 . 1 . . . . . 85 T N . 51820 1 288 . 1 . 1 86 86 ILE C C 13 173.888 0.100 . 1 . . . . . 86 I C . 51820 1 289 . 1 . 1 86 86 ILE CA C 13 62.670 0.068 . 1 . . . . . 86 I CA . 51820 1 290 . 1 . 1 86 86 ILE CB C 13 39.448 0.727 . 1 . . . . . 86 I CB . 51820 1 291 . 1 . 1 86 86 ILE CG1 C 13 28.986 0.069 . 1 . . . . . 86 I CG1 . 51820 1 292 . 1 . 1 86 86 ILE CG2 C 13 17.639 0.035 . 1 . . . . . 86 I CG2 . 51820 1 293 . 1 . 1 86 86 ILE CD1 C 13 13.757 0.046 . 1 . . . . . 86 I CD1 . 51820 1 294 . 1 . 1 86 86 ILE N N 15 123.484 0.133 . 1 . . . . . 86 I N . 51820 1 295 . 1 . 1 87 87 THR C C 13 176.828 0.120 . 1 . . . . . 87 T C . 51820 1 296 . 1 . 1 87 87 THR CA C 13 60.253 0.068 . 1 . . . . . 87 T CA . 51820 1 297 . 1 . 1 87 87 THR CB C 13 73.673 0.054 . 1 . . . . . 87 T CB . 51820 1 298 . 1 . 1 87 87 THR CG2 C 13 21.927 0.056 . 1 . . . . . 87 T CG2 . 51820 1 299 . 1 . 1 87 87 THR N N 15 121.717 0.094 . 1 . . . . . 87 T N . 51820 1 300 . 1 . 1 88 88 SER C C 13 174.515 0.064 . 1 . . . . . 88 S C . 51820 1 301 . 1 . 1 88 88 SER CA C 13 62.334 0.138 . 1 . . . . . 88 S CA . 51820 1 302 . 1 . 1 88 88 SER N N 15 116.973 0.123 . 1 . . . . . 88 S N . 51820 1 303 . 1 . 1 89 89 ARG C C 13 178.934 0.140 . 1 . . . . . 89 R C . 51820 1 304 . 1 . 1 89 89 ARG CA C 13 59.918 0.080 . 1 . . . . . 89 R CA . 51820 1 305 . 1 . 1 89 89 ARG CB C 13 30.277 0.024 . 1 . . . . . 89 R CB . 51820 1 306 . 1 . 1 89 89 ARG CG C 13 26.700 0.000 . 1 . . . . . 89 R CG . 51820 1 307 . 1 . 1 89 89 ARG CD C 13 43.298 0.054 . 1 . . . . . 89 R CD . 51820 1 308 . 1 . 1 89 89 ARG N N 15 122.108 0.160 . 1 . . . . . 89 R N . 51820 1 309 . 1 . 1 90 90 GLU C C 13 177.916 0.066 . 1 . . . . . 90 E C . 51820 1 310 . 1 . 1 90 90 GLU CA C 13 61.910 0.110 . 1 . . . . . 90 E CA . 51820 1 311 . 1 . 1 90 90 GLU CB C 13 30.101 0.037 . 1 . . . . . 90 E CB . 51820 1 312 . 1 . 1 90 90 GLU CG C 13 36.997 0.005 . 1 . . . . . 90 E CG . 51820 1 313 . 1 . 1 90 90 GLU CD C 13 181.368 0.072 . 1 . . . . . 90 E CD . 51820 1 314 . 1 . 1 90 90 GLU N N 15 117.946 0.190 . 1 . . . . . 90 E N . 51820 1 315 . 1 . 1 91 91 ILE C C 13 176.233 0.105 . 1 . . . . . 91 I C . 51820 1 316 . 1 . 1 91 91 ILE CA C 13 62.085 0.087 . 1 . . . . . 91 I CA . 51820 1 317 . 1 . 1 91 91 ILE CB C 13 33.869 0.081 . 1 . . . . . 91 I CB . 51820 1 318 . 1 . 1 91 91 ILE CG1 C 13 25.620 0.050 . 1 . . . . . 91 I CG1 . 51820 1 319 . 1 . 1 91 91 ILE CG2 C 13 18.680 0.034 . 1 . . . . . 91 I CG2 . 51820 1 320 . 1 . 1 91 91 ILE CD1 C 13 7.381 0.039 . 1 . . . . . 91 I CD1 . 51820 1 321 . 1 . 1 91 91 ILE N N 15 116.085 0.190 . 1 . . . . . 91 I N . 51820 1 322 . 1 . 1 92 92 GLN C C 13 177.472 0.123 . 1 . . . . . 92 Q C . 51820 1 323 . 1 . 1 92 92 GLN CA C 13 60.109 0.062 . 1 . . . . . 92 Q CA . 51820 1 324 . 1 . 1 92 92 GLN CB C 13 29.663 0.058 . 1 . . . . . 92 Q CB . 51820 1 325 . 1 . 1 92 92 GLN CG C 13 34.002 0.043 . 1 . . . . . 92 Q CG . 51820 1 326 . 1 . 1 92 92 GLN CD C 13 181.415 0.138 . 1 . . . . . 92 Q CD . 51820 1 327 . 1 . 1 92 92 GLN N N 15 119.111 0.161 . 1 . . . . . 92 Q N . 51820 1 328 . 1 . 1 92 92 GLN NE2 N 15 113.486 0.040 . 1 . . . . . 92 Q NE2 . 51820 1 329 . 1 . 1 93 93 THR C C 13 175.338 0.044 . 1 . . . . . 93 T C . 51820 1 330 . 1 . 1 93 93 THR CA C 13 66.500 0.122 . 1 . . . . . 93 T CA . 51820 1 331 . 1 . 1 93 93 THR CB C 13 67.061 0.087 . 1 . . . . . 93 T CB . 51820 1 332 . 1 . 1 93 93 THR CG2 C 13 24.666 0.069 . 1 . . . . . 93 T CG2 . 51820 1 333 . 1 . 1 93 93 THR N N 15 115.766 0.106 . 1 . . . . . 93 T N . 51820 1 334 . 1 . 1 94 94 ALA C C 13 179.234 0.057 . 1 . . . . . 94 A C . 51820 1 335 . 1 . 1 94 94 ALA CA C 13 55.958 0.106 . 1 . . . . . 94 A CA . 51820 1 336 . 1 . 1 94 94 ALA CB C 13 19.736 0.040 . 1 . . . . . 94 A CB . 51820 1 337 . 1 . 1 94 94 ALA N N 15 122.767 0.151 . 1 . . . . . 94 A N . 51820 1 338 . 1 . 1 95 95 VAL C C 13 176.933 0.031 . 1 . . . . . 95 V C . 51820 1 339 . 1 . 1 95 95 VAL CA C 13 67.542 0.055 . 1 . . . . . 95 V CA . 51820 1 340 . 1 . 1 95 95 VAL CB C 13 31.627 0.000 . 1 . . . . . 95 V CB . 51820 1 341 . 1 . 1 95 95 VAL CG1 C 13 25.370 0.000 . 2 . . . . . 95 V CG1 . 51820 1 342 . 1 . 1 95 95 VAL N N 15 117.494 0.105 . 1 . . . . . 95 V N . 51820 1 343 . 1 . 1 96 96 ARG C C 13 179.007 0.036 . 1 . . . . . 96 R C . 51820 1 344 . 1 . 1 96 96 ARG CA C 13 59.521 0.024 . 1 . . . . . 96 R CA . 51820 1 345 . 1 . 1 96 96 ARG CB C 13 30.143 0.107 . 1 . . . . . 96 R CB . 51820 1 346 . 1 . 1 96 96 ARG CG C 13 28.366 0.058 . 1 . . . . . 96 R CG . 51820 1 347 . 1 . 1 96 96 ARG CD C 13 43.998 0.064 . 1 . . . . . 96 R CD . 51820 1 348 . 1 . 1 96 96 ARG CZ C 13 159.866 0.000 . 1 . . . . . 96 R CZ . 51820 1 349 . 1 . 1 96 96 ARG N N 15 118.069 0.083 . 1 . . . . . 96 R N . 51820 1 350 . 1 . 1 97 97 LEU C C 13 178.594 0.115 . 1 . . . . . 97 L C . 51820 1 351 . 1 . 1 97 97 LEU CA C 13 57.063 0.048 . 1 . . . . . 97 L CA . 51820 1 352 . 1 . 1 97 97 LEU CB C 13 43.241 0.061 . 1 . . . . . 97 L CB . 51820 1 353 . 1 . 1 97 97 LEU CD1 C 13 26.654 0.062 . 2 . . . . . 97 L CD1 . 51820 1 354 . 1 . 1 97 97 LEU CD2 C 13 22.691 0.028 . 2 . . . . . 97 L CD2 . 51820 1 355 . 1 . 1 97 97 LEU N N 15 118.035 0.056 . 1 . . . . . 97 L N . 51820 1 356 . 1 . 1 98 98 LEU C C 13 177.831 0.129 . 1 . . . . . 98 L C . 51820 1 357 . 1 . 1 98 98 LEU CA C 13 56.567 0.095 . 1 . . . . . 98 L CA . 51820 1 358 . 1 . 1 98 98 LEU CB C 13 44.971 0.040 . 1 . . . . . 98 L CB . 51820 1 359 . 1 . 1 98 98 LEU CG C 13 27.721 0.042 . 1 . . . . . 98 L CG . 51820 1 360 . 1 . 1 98 98 LEU CD1 C 13 25.474 0.179 . 2 . . . . . 98 L CD1 . 51820 1 361 . 1 . 1 98 98 LEU CD2 C 13 23.509 0.012 . 2 . . . . . 98 L CD2 . 51820 1 362 . 1 . 1 98 98 LEU N N 15 116.879 0.096 . 1 . . . . . 98 L N . 51820 1 363 . 1 . 1 99 99 LEU C C 13 174.205 0.069 . 1 . . . . . 99 L C . 51820 1 364 . 1 . 1 99 99 LEU CA C 13 52.676 0.075 . 1 . . . . . 99 L CA . 51820 1 365 . 1 . 1 99 99 LEU CB C 13 40.686 0.056 . 1 . . . . . 99 L CB . 51820 1 366 . 1 . 1 99 99 LEU CG C 13 29.015 0.045 . 1 . . . . . 99 L CG . 51820 1 367 . 1 . 1 99 99 LEU CD1 C 13 26.024 0.071 . 2 . . . . . 99 L CD1 . 51820 1 368 . 1 . 1 99 99 LEU CD2 C 13 25.312 0.037 . 2 . . . . . 99 L CD2 . 51820 1 369 . 1 . 1 99 99 LEU N N 15 119.120 0.128 . 1 . . . . . 99 L N . 51820 1 370 . 1 . 1 100 100 PRO C C 13 177.002 0.189 . 1 . . . . . 100 P C . 51820 1 371 . 1 . 1 100 100 PRO CA C 13 62.392 0.053 . 1 . . . . . 100 P CA . 51820 1 372 . 1 . 1 100 100 PRO CB C 13 32.312 0.073 . 1 . . . . . 100 P CB . 51820 1 373 . 1 . 1 100 100 PRO CG C 13 27.505 0.033 . 1 . . . . . 100 P CG . 51820 1 374 . 1 . 1 100 100 PRO CD C 13 50.634 0.065 . 1 . . . . . 100 P CD . 51820 1 375 . 1 . 1 100 100 PRO N N 15 132.972 0.080 . 1 . . . . . 100 P N . 51820 1 376 . 1 . 1 101 101 GLY C C 13 176.202 0.066 . 1 . . . . . 101 G C . 51820 1 377 . 1 . 1 101 101 GLY CA C 13 48.275 0.074 . 1 . . . . . 101 G CA . 51820 1 378 . 1 . 1 101 101 GLY N N 15 105.472 0.149 . 1 . . . . . 101 G N . 51820 1 379 . 1 . 1 102 102 GLU C C 13 178.739 0.080 . 1 . . . . . 102 E C . 51820 1 380 . 1 . 1 102 102 GLU CA C 13 59.096 0.085 . 1 . . . . . 102 E CA . 51820 1 381 . 1 . 1 102 102 GLU CB C 13 29.197 0.080 . 1 . . . . . 102 E CB . 51820 1 382 . 1 . 1 102 102 GLU CG C 13 36.873 0.081 . 1 . . . . . 102 E CG . 51820 1 383 . 1 . 1 102 102 GLU CD C 13 184.023 0.073 . 1 . . . . . 102 E CD . 51820 1 384 . 1 . 1 102 102 GLU N N 15 128.430 0.173 . 1 . . . . . 102 E N . 51820 1 385 . 1 . 1 103 103 LEU C C 13 179.563 0.085 . 1 . . . . . 103 L C . 51820 1 386 . 1 . 1 103 103 LEU CA C 13 58.144 0.166 . 1 . . . . . 103 L CA . 51820 1 387 . 1 . 1 103 103 LEU CB C 13 41.065 0.071 . 1 . . . . . 103 L CB . 51820 1 388 . 1 . 1 103 103 LEU CD1 C 13 26.910 0.055 . 2 . . . . . 103 L CD1 . 51820 1 389 . 1 . 1 103 103 LEU CD2 C 13 23.750 0.048 . 2 . . . . . 103 L CD2 . 51820 1 390 . 1 . 1 103 103 LEU N N 15 122.093 0.230 . 1 . . . . . 103 L N . 51820 1 391 . 1 . 1 104 104 ALA C C 13 179.213 0.148 . 1 . . . . . 104 A C . 51820 1 392 . 1 . 1 104 104 ALA CA C 13 55.477 0.187 . 1 . . . . . 104 A CA . 51820 1 393 . 1 . 1 104 104 ALA CB C 13 18.919 0.043 . 1 . . . . . 104 A CB . 51820 1 394 . 1 . 1 104 104 ALA N N 15 118.440 0.172 . 1 . . . . . 104 A N . 51820 1 395 . 1 . 1 105 105 LYS C C 13 180.313 0.078 . 1 . . . . . 105 K C . 51820 1 396 . 1 . 1 105 105 LYS CA C 13 59.742 0.094 . 1 . . . . . 105 K CA . 51820 1 397 . 1 . 1 105 105 LYS CB C 13 32.457 0.087 . 1 . . . . . 105 K CB . 51820 1 398 . 1 . 1 105 105 LYS CG C 13 24.872 0.073 . 1 . . . . . 105 K CG . 51820 1 399 . 1 . 1 105 105 LYS CD C 13 29.486 0.190 . 1 . . . . . 105 K CD . 51820 1 400 . 1 . 1 105 105 LYS CE C 13 42.058 0.055 . 1 . . . . . 105 K CE . 51820 1 401 . 1 . 1 105 105 LYS N N 15 116.998 0.200 . 1 . . . . . 105 K N . 51820 1 402 . 1 . 1 106 106 HIS C C 13 177.284 0.146 . 1 . . . . . 106 H C . 51820 1 403 . 1 . 1 106 106 HIS CA C 13 58.878 0.106 . 1 . . . . . 106 H CA . 51820 1 404 . 1 . 1 106 106 HIS N N 15 118.814 0.110 . 1 . . . . . 106 H N . 51820 1 405 . 1 . 1 107 107 ALA C C 13 179.326 0.130 . 1 . . . . . 107 A C . 51820 1 406 . 1 . 1 107 107 ALA CA C 13 55.543 0.081 . 1 . . . . . 107 A CA . 51820 1 407 . 1 . 1 107 107 ALA CB C 13 19.668 0.060 . 1 . . . . . 107 A CB . 51820 1 408 . 1 . 1 107 107 ALA N N 15 123.258 0.029 . 1 . . . . . 107 A N . 51820 1 409 . 1 . 1 108 108 VAL C C 13 180.066 0.100 . 1 . . . . . 108 V C . 51820 1 410 . 1 . 1 108 108 VAL CA C 13 64.553 0.108 . 1 . . . . . 108 V CA . 51820 1 411 . 1 . 1 108 108 VAL CB C 13 31.914 0.000 . 1 . . . . . 108 V CB . 51820 1 412 . 1 . 1 108 108 VAL CG1 C 13 22.952 0.114 . 2 . . . . . 108 V CG1 . 51820 1 413 . 1 . 1 108 108 VAL CG2 C 13 20.551 0.029 . 2 . . . . . 108 V CG2 . 51820 1 414 . 1 . 1 108 108 VAL N N 15 117.311 0.112 . 1 . . . . . 108 V N . 51820 1 415 . 1 . 1 109 109 SER C C 13 177.434 0.069 . 1 . . . . . 109 S C . 51820 1 416 . 1 . 1 109 109 SER CA C 13 61.797 0.096 . 1 . . . . . 109 S CA . 51820 1 417 . 1 . 1 109 109 SER CB C 13 62.606 0.037 . 1 . . . . . 109 S CB . 51820 1 418 . 1 . 1 109 109 SER N N 15 117.532 0.125 . 1 . . . . . 109 S N . 51820 1 419 . 1 . 1 110 110 GLU C C 13 180.269 0.120 . 1 . . . . . 110 E C . 51820 1 420 . 1 . 1 110 110 GLU CA C 13 58.875 0.079 . 1 . . . . . 110 E CA . 51820 1 421 . 1 . 1 110 110 GLU CB C 13 28.765 0.071 . 1 . . . . . 110 E CB . 51820 1 422 . 1 . 1 110 110 GLU CG C 13 36.201 0.062 . 1 . . . . . 110 E CG . 51820 1 423 . 1 . 1 110 110 GLU CD C 13 183.447 0.085 . 1 . . . . . 110 E CD . 51820 1 424 . 1 . 1 110 110 GLU N N 15 120.005 0.111 . 1 . . . . . 110 E N . 51820 1 425 . 1 . 1 111 111 GLY C C 13 174.905 0.064 . 1 . . . . . 111 G C . 51820 1 426 . 1 . 1 111 111 GLY CA C 13 46.828 0.091 . 1 . . . . . 111 G CA . 51820 1 427 . 1 . 1 111 111 GLY N N 15 109.563 0.127 . 1 . . . . . 111 G N . 51820 1 428 . 1 . 1 112 112 THR C C 13 177.609 0.114 . 1 . . . . . 112 T C . 51820 1 429 . 1 . 1 112 112 THR CA C 13 66.818 0.090 . 1 . . . . . 112 T CA . 51820 1 430 . 1 . 1 112 112 THR CB C 13 69.007 0.091 . 1 . . . . . 112 T CB . 51820 1 431 . 1 . 1 112 112 THR CG2 C 13 21.375 0.033 . 1 . . . . . 112 T CG2 . 51820 1 432 . 1 . 1 112 112 THR N N 15 116.670 0.156 . 1 . . . . . 112 T N . 51820 1 433 . 1 . 1 113 113 LYS C C 13 178.729 0.078 . 1 . . . . . 113 K C . 51820 1 434 . 1 . 1 113 113 LYS CA C 13 59.995 0.061 . 1 . . . . . 113 K CA . 51820 1 435 . 1 . 1 113 113 LYS CB C 13 32.522 0.034 . 1 . . . . . 113 K CB . 51820 1 436 . 1 . 1 113 113 LYS N N 15 123.934 0.110 . 1 . . . . . 113 K N . 51820 1 437 . 1 . 1 114 114 ALA C C 13 179.576 0.090 . 1 . . . . . 114 A C . 51820 1 438 . 1 . 1 114 114 ALA CA C 13 55.227 0.099 . 1 . . . . . 114 A CA . 51820 1 439 . 1 . 1 114 114 ALA CB C 13 19.463 0.053 . 1 . . . . . 114 A CB . 51820 1 440 . 1 . 1 114 114 ALA N N 15 121.880 0.117 . 1 . . . . . 114 A N . 51820 1 441 . 1 . 1 115 115 VAL C C 13 179.370 0.129 . 1 . . . . . 115 V C . 51820 1 442 . 1 . 1 115 115 VAL CA C 13 67.685 0.144 . 1 . . . . . 115 V CA . 51820 1 443 . 1 . 1 115 115 VAL CB C 13 31.718 0.090 . 1 . . . . . 115 V CB . 51820 1 444 . 1 . 1 115 115 VAL CG1 C 13 22.516 0.048 . 2 . . . . . 115 V CG1 . 51820 1 445 . 1 . 1 115 115 VAL CG2 C 13 25.014 0.042 . 2 . . . . . 115 V CG2 . 51820 1 446 . 1 . 1 115 115 VAL N N 15 117.794 0.131 . 1 . . . . . 115 V N . 51820 1 447 . 1 . 1 116 116 THR C C 13 176.847 0.084 . 1 . . . . . 116 T C . 51820 1 448 . 1 . 1 116 116 THR CA C 13 67.291 0.082 . 1 . . . . . 116 T CA . 51820 1 449 . 1 . 1 116 116 THR CB C 13 68.677 0.095 . 1 . . . . . 116 T CB . 51820 1 450 . 1 . 1 116 116 THR CG2 C 13 21.748 0.085 . 1 . . . . . 116 T CG2 . 51820 1 451 . 1 . 1 116 116 THR N N 15 120.226 0.202 . 1 . . . . . 116 T N . 51820 1 452 . 1 . 1 117 117 LYS C C 13 178.895 0.071 . 1 . . . . . 117 K C . 51820 1 453 . 1 . 1 117 117 LYS CA C 13 60.126 0.080 . 1 . . . . . 117 K CA . 51820 1 454 . 1 . 1 117 117 LYS CB C 13 32.577 0.057 . 1 . . . . . 117 K CB . 51820 1 455 . 1 . 1 117 117 LYS CG C 13 24.919 0.031 . 1 . . . . . 117 K CG . 51820 1 456 . 1 . 1 117 117 LYS N N 15 124.002 0.155 . 1 . . . . . 117 K N . 51820 1 457 . 1 . 1 118 118 TYR C C 13 177.577 0.068 . 1 . . . . . 118 Y C . 51820 1 458 . 1 . 1 118 118 TYR CA C 13 61.869 0.113 . 1 . . . . . 118 Y CA . 51820 1 459 . 1 . 1 118 118 TYR CB C 13 39.953 0.005 . 1 . . . . . 118 Y CB . 51820 1 460 . 1 . 1 118 118 TYR N N 15 118.974 0.122 . 1 . . . . . 118 Y N . 51820 1 461 . 1 . 1 119 119 THR C C 13 176.111 0.089 . 1 . . . . . 119 T C . 51820 1 462 . 1 . 1 119 119 THR CA C 13 65.241 0.088 . 1 . . . . . 119 T CA . 51820 1 463 . 1 . 1 119 119 THR CB C 13 69.507 0.065 . 1 . . . . . 119 T CB . 51820 1 464 . 1 . 1 119 119 THR CG2 C 13 21.820 0.058 . 1 . . . . . 119 T CG2 . 51820 1 465 . 1 . 1 119 119 THR N N 15 111.448 0.211 . 1 . . . . . 119 T N . 51820 1 466 . 1 . 1 120 120 SER C C 13 174.139 0.115 . 1 . . . . . 120 S C . 51820 1 467 . 1 . 1 120 120 SER CA C 13 59.773 0.121 . 1 . . . . . 120 S CA . 51820 1 468 . 1 . 1 120 120 SER CB C 13 63.996 0.038 . 1 . . . . . 120 S CB . 51820 1 469 . 1 . 1 120 120 SER N N 15 116.132 0.140 . 1 . . . . . 120 S N . 51820 1 470 . 1 . 1 121 121 ALA C C 13 176.811 0.053 . 1 . . . . . 121 A C . 51820 1 471 . 1 . 1 121 121 ALA CA C 13 52.368 0.091 . 1 . . . . . 121 A CA . 51820 1 472 . 1 . 1 121 121 ALA CB C 13 19.566 0.055 . 1 . . . . . 121 A CB . 51820 1 473 . 1 . 1 121 121 ALA N N 15 125.291 0.174 . 1 . . . . . 121 A N . 51820 1 stop_ save_