data_26547 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26547 _Entry.Title ; STIL binding to the Polo-box 3 of PLK4 regulates centriole duplication - Backbone assignment of human Polo-box 3 bound to STIL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-23 _Entry.Accession_date 2015-03-23 _Entry.Last_release_date 2015-08-07 _Entry.Original_release_date 2015-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1.1.75 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Raphael Boehm . . . 26547 2 Christian Arquint . . . 26547 3 Anna-Maria Gabryjonczyk . . . 26547 4 Stefan Imseng . . . 26547 5 Evelyn Sauer . . . 26547 6 Erich Nigg . . . 26547 7 Timm Maier . . . 26547 8 Sebastian Hiller . . . 26547 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26547 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 154 26547 '15N chemical shifts' 70 26547 '1H chemical shifts' 70 26547 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 . . 2015-08-07 . original BMRB . 26547 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25552 'human Polo-box 3' 26547 PDB 2N19 'BMRB Entry Tracking System' 26547 PDB 4YYP 'Crystal structure of human PLK4-PB3 in complex with STIL-CC' 26547 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26547 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.7554/eLife.07888 _Citation.PubMed_ID 26188084 _Citation.Full_citation . _Citation.Title ; STIL binding to Polo-box 3 of PLK4 regulates centriole duplication. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev eLife _Citation.Journal_name_full eLife _Citation.Journal_volume 4 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christian Arquint . . . 26547 1 2 Anna-Maria Gabryjonczyk . . . 26547 1 3 Stefan Imseng . . . 26547 1 4 Raphael Boehm . . . 26547 1 5 Evelyn Sauer . . . 26547 1 6 Sebastian Hiller . . . 26547 1 7 Erich Nigg . . . 26547 1 8 Timm Maier . . . 26547 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26547 _Assembly.ID 1 _Assembly.Name PLK4-PB3/STIL-CC _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13.4 _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 PLK4-PB3 1 $PLK4-PB3 A . yes native no no . . . 26547 1 2 STIL-CC 2 $SCL-TAL1_INTERRUPTING_LOCUS_PROTEIN-COILED_COIL_REGION_(STIL-CC) A . no native no no . . . 26547 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PLK4-PB3 _Entity.Sf_category entity _Entity.Sf_framecode PLK4-PB3 _Entity.Entry_ID 26547 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PLK4-PB3 _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 ; GSAQLLKSVFVKNVGWATQL TSGAVWVQFNDGSQLVVQAG VSSISYTSPNGQTTRYGENE KLPDYIKQKLQCLSSILLMF SNPTPNFH ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25552 . entity . . . . . 100.00 88 100.00 100.00 2.92e-56 . . . . 26547 1 2 no PDB 2N19 . "Stil Binding To The Polo-box Domain 3 Of Plk4 Regulates Centriole Duplication" . . . . . 100.00 88 100.00 100.00 2.92e-56 . . . . 26547 1 3 no PDB 4YYP . "Crystal Structure Of Human Plk4-pb3 In Complex With Stil-cc" . . . . . 98.86 87 100.00 100.00 1.55e-55 . . . . 26547 1 4 no DBJ BAB24599 . "unnamed protein product [Mus musculus]" . . . . . 97.73 535 97.67 100.00 1.23e-49 . . . . 26547 1 5 no DBJ BAB69958 . "Sak [Homo sapiens]" . . . . . 98.86 970 100.00 100.00 8.07e-51 . . . . 26547 1 6 no DBJ BAE02419 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.86 575 97.70 98.85 9.53e-50 . . . . 26547 1 7 no DBJ BAE23231 . "unnamed protein product [Mus musculus]" . . . . . 97.73 925 97.67 100.00 9.93e-49 . . . . 26547 1 8 no DBJ BAE23367 . "unnamed protein product [Mus musculus]" . . . . . 97.73 925 97.67 100.00 9.93e-49 . . . . 26547 1 9 no EMBL CAA73575 . "serine/threonine protein kinase [Homo sapiens]" . . . . . 98.86 970 100.00 100.00 7.23e-51 . . . . 26547 1 10 no EMBL CAH91413 . "hypothetical protein [Pongo abelii]" . . . . . 98.86 970 97.70 98.85 1.54e-49 . . . . 26547 1 11 no GB AAC37648 . "serine/threonine kinase [Mus musculus]" . . . . . 97.73 925 97.67 100.00 8.80e-49 . . . . 26547 1 12 no GB AAH26785 . "Polo-like kinase 4 (Drosophila) [Mus musculus]" . . . . . 97.73 925 97.67 100.00 9.73e-49 . . . . 26547 1 13 no GB AAH36023 . "Polo-like kinase 4 (Drosophila) [Homo sapiens]" . . . . . 98.86 970 100.00 100.00 7.37e-51 . . . . 26547 1 14 no GB AAH57940 . "Plk4 protein [Mus musculus]" . . . . . 97.73 898 97.67 100.00 8.47e-49 . . . . 26547 1 15 no GB AAX43264 . "polo-like kinase 4 [synthetic construct]" . . . . . 98.86 971 100.00 100.00 8.11e-51 . . . . 26547 1 16 no REF NP_001153257 . "serine/threonine-protein kinase PLK4 [Pongo abelii]" . . . . . 98.86 970 97.70 98.85 1.54e-49 . . . . 26547 1 17 no REF NP_001177728 . "serine/threonine-protein kinase PLK4 isoform 2 [Homo sapiens]" . . . . . 98.86 938 100.00 100.00 7.26e-51 . . . . 26547 1 18 no REF NP_001177730 . "serine/threonine-protein kinase PLK4 isoform 3 [Homo sapiens]" . . . . . 98.86 929 100.00 100.00 6.45e-51 . . . . 26547 1 19 no REF NP_035625 . "serine/threonine-protein kinase PLK4 isoform 1 [Mus musculus]" . . . . . 97.73 925 97.67 100.00 9.93e-49 . . . . 26547 1 20 no REF NP_055079 . "serine/threonine-protein kinase PLK4 isoform 1 [Homo sapiens]" . . . . . 98.86 970 100.00 100.00 7.37e-51 . . . . 26547 1 21 no SP O00444 . "RecName: Full=Serine/threonine-protein kinase PLK4; AltName: Full=Polo-like kinase 4; Short=PLK-4; AltName: Full=Serine/threoni" . . . . . 98.86 970 100.00 100.00 7.37e-51 . . . . 26547 1 22 no SP Q5R9Z7 . "RecName: Full=Serine/threonine-protein kinase PLK4; AltName: Full=Polo-like kinase 4; Short=PLK-4; AltName: Full=Serine/threoni" . . . . . 98.86 970 97.70 98.85 1.54e-49 . . . . 26547 1 23 no SP Q64702 . "RecName: Full=Serine/threonine-protein kinase PLK4; AltName: Full=Polo-like kinase 4; Short=PLK-4; AltName: Full=Serine/threoni" . . . . . 97.73 925 97.67 100.00 9.93e-49 . . . . 26547 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 883 GLY . 26547 1 2 884 SER . 26547 1 3 885 ALA . 26547 1 4 886 GLN . 26547 1 5 887 LEU . 26547 1 6 888 LEU . 26547 1 7 889 LYS . 26547 1 8 890 SER . 26547 1 9 891 VAL . 26547 1 10 892 PHE . 26547 1 11 893 VAL . 26547 1 12 894 LYS . 26547 1 13 895 ASN . 26547 1 14 896 VAL . 26547 1 15 897 GLY . 26547 1 16 898 TRP . 26547 1 17 899 ALA . 26547 1 18 900 THR . 26547 1 19 901 GLN . 26547 1 20 902 LEU . 26547 1 21 903 THR . 26547 1 22 904 SER . 26547 1 23 905 GLY . 26547 1 24 906 ALA . 26547 1 25 907 VAL . 26547 1 26 908 TRP . 26547 1 27 909 VAL . 26547 1 28 910 GLN . 26547 1 29 911 PHE . 26547 1 30 912 ASN . 26547 1 31 913 ASP . 26547 1 32 914 GLY . 26547 1 33 915 SER . 26547 1 34 916 GLN . 26547 1 35 917 LEU . 26547 1 36 918 VAL . 26547 1 37 919 VAL . 26547 1 38 920 GLN . 26547 1 39 921 ALA . 26547 1 40 922 GLY . 26547 1 41 923 VAL . 26547 1 42 924 SER . 26547 1 43 925 SER . 26547 1 44 926 ILE . 26547 1 45 927 SER . 26547 1 46 928 TYR . 26547 1 47 929 THR . 26547 1 48 930 SER . 26547 1 49 931 PRO . 26547 1 50 932 ASN . 26547 1 51 933 GLY . 26547 1 52 934 GLN . 26547 1 53 935 THR . 26547 1 54 936 THR . 26547 1 55 937 ARG . 26547 1 56 938 TYR . 26547 1 57 939 GLY . 26547 1 58 940 GLU . 26547 1 59 941 ASN . 26547 1 60 942 GLU . 26547 1 61 943 LYS . 26547 1 62 944 LEU . 26547 1 63 945 PRO . 26547 1 64 946 ASP . 26547 1 65 947 TYR . 26547 1 66 948 ILE . 26547 1 67 949 LYS . 26547 1 68 950 GLN . 26547 1 69 951 LYS . 26547 1 70 952 LEU . 26547 1 71 953 GLN . 26547 1 72 954 CYS . 26547 1 73 955 LEU . 26547 1 74 956 SER . 26547 1 75 957 SER . 26547 1 76 958 ILE . 26547 1 77 959 LEU . 26547 1 78 960 LEU . 26547 1 79 961 MET . 26547 1 80 962 PHE . 26547 1 81 963 SER . 26547 1 82 964 ASN . 26547 1 83 965 PRO . 26547 1 84 966 THR . 26547 1 85 967 PRO . 26547 1 86 968 ASN . 26547 1 87 969 PHE . 26547 1 88 970 HIS . 26547 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 . GLY 1 1 26547 1 . SER 2 2 26547 1 . ALA 3 3 26547 1 . GLN 4 4 26547 1 . LEU 5 5 26547 1 . LEU 6 6 26547 1 . LYS 7 7 26547 1 . SER 8 8 26547 1 . VAL 9 9 26547 1 . PHE 10 10 26547 1 . VAL 11 11 26547 1 . LYS 12 12 26547 1 . ASN 13 13 26547 1 . VAL 14 14 26547 1 . GLY 15 15 26547 1 . TRP 16 16 26547 1 . ALA 17 17 26547 1 . THR 18 18 26547 1 . GLN 19 19 26547 1 . LEU 20 20 26547 1 . THR 21 21 26547 1 . SER 22 22 26547 1 . GLY 23 23 26547 1 . ALA 24 24 26547 1 . VAL 25 25 26547 1 . TRP 26 26 26547 1 . VAL 27 27 26547 1 . GLN 28 28 26547 1 . PHE 29 29 26547 1 . ASN 30 30 26547 1 . ASP 31 31 26547 1 . GLY 32 32 26547 1 . SER 33 33 26547 1 . GLN 34 34 26547 1 . LEU 35 35 26547 1 . VAL 36 36 26547 1 . VAL 37 37 26547 1 . GLN 38 38 26547 1 . ALA 39 39 26547 1 . GLY 40 40 26547 1 . VAL 41 41 26547 1 . SER 42 42 26547 1 . SER 43 43 26547 1 . ILE 44 44 26547 1 . SER 45 45 26547 1 . TYR 46 46 26547 1 . THR 47 47 26547 1 . SER 48 48 26547 1 . PRO 49 49 26547 1 . ASN 50 50 26547 1 . GLY 51 51 26547 1 . GLN 52 52 26547 1 . THR 53 53 26547 1 . THR 54 54 26547 1 . ARG 55 55 26547 1 . TYR 56 56 26547 1 . GLY 57 57 26547 1 . GLU 58 58 26547 1 . ASN 59 59 26547 1 . GLU 60 60 26547 1 . LYS 61 61 26547 1 . LEU 62 62 26547 1 . PRO 63 63 26547 1 . ASP 64 64 26547 1 . TYR 65 65 26547 1 . ILE 66 66 26547 1 . LYS 67 67 26547 1 . GLN 68 68 26547 1 . LYS 69 69 26547 1 . LEU 70 70 26547 1 . GLN 71 71 26547 1 . CYS 72 72 26547 1 . LEU 73 73 26547 1 . SER 74 74 26547 1 . SER 75 75 26547 1 . ILE 76 76 26547 1 . LEU 77 77 26547 1 . LEU 78 78 26547 1 . MET 79 79 26547 1 . PHE 80 80 26547 1 . SER 81 81 26547 1 . ASN 82 82 26547 1 . PRO 83 83 26547 1 . THR 84 84 26547 1 . PRO 85 85 26547 1 . ASN 86 86 26547 1 . PHE 87 87 26547 1 . HIS 88 88 26547 1 stop_ save_ save_SCL-TAL1_INTERRUPTING_LOCUS_PROTEIN-COILED_COIL_REGION_(STIL-CC) _Entity.Sf_category entity _Entity.Sf_framecode SCL-TAL1_INTERRUPTING_LOCUS_PROTEIN-COILED_COIL_REGION_(STIL-CC) _Entity.Entry_ID 26547 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PLK4-PB3 _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 ; PDAYRFLTEQDRQLRLLQAQ IQRLLEAQSLMP ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PRO . 26547 2 2 2 ASP . 26547 2 3 3 ALA . 26547 2 4 4 TYR . 26547 2 5 5 ARG . 26547 2 6 6 PHE . 26547 2 7 7 LEU . 26547 2 8 8 THR . 26547 2 9 9 GLU . 26547 2 10 10 GLN . 26547 2 11 11 ASP . 26547 2 12 12 ARG . 26547 2 13 13 GLN . 26547 2 14 14 LEU . 26547 2 15 15 ARG . 26547 2 16 16 LEU . 26547 2 17 17 LEU . 26547 2 18 18 GLN . 26547 2 19 19 ALA . 26547 2 20 20 GLN . 26547 2 21 21 ILE . 26547 2 22 22 GLN . 26547 2 23 23 ARG . 26547 2 24 24 LEU . 26547 2 25 25 LEU . 26547 2 26 26 GLU . 26547 2 27 27 ALA . 26547 2 28 28 GLN . 26547 2 29 29 SER . 26547 2 30 30 LEU . 26547 2 31 31 MET . 26547 2 32 32 PRO . 26547 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 . PRO 1 1 26547 2 . ASP 2 2 26547 2 . ALA 3 3 26547 2 . TYR 4 4 26547 2 . ARG 5 5 26547 2 . PHE 6 6 26547 2 . LEU 7 7 26547 2 . THR 8 8 26547 2 . GLU 9 9 26547 2 . GLN 10 10 26547 2 . ASP 11 11 26547 2 . ARG 12 12 26547 2 . GLN 13 13 26547 2 . LEU 14 14 26547 2 . ARG 15 15 26547 2 . LEU 16 16 26547 2 . LEU 17 17 26547 2 . GLN 18 18 26547 2 . ALA 19 19 26547 2 . GLN 20 20 26547 2 . ILE 21 21 26547 2 . GLN 22 22 26547 2 . ARG 23 23 26547 2 . LEU 24 24 26547 2 . LEU 25 25 26547 2 . GLU 26 26 26547 2 . ALA 27 27 26547 2 . GLN 28 28 26547 2 . SER 29 29 26547 2 . LEU 30 30 26547 2 . MET 31 31 26547 2 . PRO 32 32 26547 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26547 _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 $PLK4-PB3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26547 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26547 _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 $PLK4-PB3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETG-30A . . . 26547 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Deuterated-triple_labelled_PLK4-PB3-STIL-CC _Sample.Sf_category sample _Sample.Sf_framecode Deuterated-triple_labelled_PLK4-PB3-STIL-CC _Sample.Entry_ID 26547 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PLK4-PB3 '[U-13C; U-15N; U-2H]' . . 1 $PLK4-PB3 . . 800 . . uM . . . . 26547 1 2 'SCL/TAL1 INTERRUPTING LOCUS PROTEIN-COILED COIL REGION (STIL-CC)' 'natural abundance' . . . . . . 800 . . uM . . . . 26547 1 3 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 26547 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 26547 1 5 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 26547 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26547 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26547 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 26547 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.03 . M 26547 1 pH 7 . pH 26547 1 pressure 1 . atm 26547 1 temperature 293.15 . K 26547 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26547 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 26547 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26547 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26547 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26547 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26547 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26547 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Deuterated-triple_labelled_PLK4-PB3-STIL-CC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26547 1 2 '3D HNCO' no . . . . . . . . . . 1 $Deuterated-triple_labelled_PLK4-PB3-STIL-CC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26547 1 3 '3D HNCA' no . . . . . . . . . . 1 $Deuterated-triple_labelled_PLK4-PB3-STIL-CC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26547 1 4 '3D HNCACB' no . . . . . . . . . . 1 $Deuterated-triple_labelled_PLK4-PB3-STIL-CC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26547 1 5 '3D HNCACO' no . . . . . . . . . . 1 $Deuterated-triple_labelled_PLK4-PB3-STIL-CC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26547 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26547 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 26547 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26547 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26547 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 26547 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26547 1 2 '3D HNCO' . . . 26547 1 3 '3D HNCA' . . . 26547 1 4 '3D HNCACB' . . . 26547 1 5 '3D HNCACO' . . . 26547 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA CA C 13 52.099 0.3 . 1 . . . . 885 A CA . 26547 1 2 . 1 1 3 3 ALA CB C 13 18.182 0.3 . 1 . . . . 885 A CB . 26547 1 3 . 1 1 4 4 GLN H H 1 8.2226 0.02 . 1 . . . . 886 Q H . 26547 1 4 . 1 1 4 4 GLN CA C 13 55.032 0.3 . 1 . . . . 886 Q CA . 26547 1 5 . 1 1 4 4 GLN CB C 13 28.937 0.3 . 1 . . . . 886 Q CB . 26547 1 6 . 1 1 4 4 GLN N N 15 119.3745 0.3 . 1 . . . . 886 Q N . 26547 1 7 . 1 1 5 5 LEU H H 1 8.1426 0.02 . 1 . . . . 887 L H . 26547 1 8 . 1 1 5 5 LEU CA C 13 54.994 0.3 . 1 . . . . 887 L CA . 26547 1 9 . 1 1 5 5 LEU CB C 13 41.202 0.3 . 1 . . . . 887 L CB . 26547 1 10 . 1 1 5 5 LEU N N 15 123.0075 0.3 . 1 . . . . 887 L N . 26547 1 11 . 1 1 6 6 LEU H H 1 8.1026 0.02 . 1 . . . . 888 L H . 26547 1 12 . 1 1 6 6 LEU CA C 13 55.145 0.3 . 1 . . . . 888 L CA . 26547 1 13 . 1 1 6 6 LEU CB C 13 40.95 0.3 . 1 . . . . 888 L CB . 26547 1 14 . 1 1 6 6 LEU N N 15 122.5115 0.3 . 1 . . . . 888 L N . 26547 1 15 . 1 1 8 8 SER CA C 13 58.247 0.3 . 1 . . . . 890 S CA . 26547 1 16 . 1 1 9 9 VAL H H 1 9.4756 0.02 . 1 . . . . 891 V H . 26547 1 17 . 1 1 9 9 VAL CA C 13 59.398 0.3 . 1 . . . . 891 V CA . 26547 1 18 . 1 1 9 9 VAL CB C 13 34.283 0.3 . 1 . . . . 891 V CB . 26547 1 19 . 1 1 9 9 VAL N N 15 122.9715 0.3 . 1 . . . . 891 V N . 26547 1 20 . 1 1 10 10 PHE H H 1 8.2436 0.02 . 1 . . . . 892 F H . 26547 1 21 . 1 1 10 10 PHE CA C 13 55.722 0.3 . 1 . . . . 892 F CA . 26547 1 22 . 1 1 10 10 PHE CB C 13 38.461 0.3 . 1 . . . . 892 F CB . 26547 1 23 . 1 1 10 10 PHE N N 15 125.3595 0.3 . 1 . . . . 892 F N . 26547 1 24 . 1 1 11 11 VAL H H 1 8.1586 0.02 . 1 . . . . 893 V H . 26547 1 25 . 1 1 11 11 VAL CA C 13 59.946 0.3 . 1 . . . . 893 V CA . 26547 1 26 . 1 1 11 11 VAL CB C 13 31.216 0.3 . 1 . . . . 893 V CB . 26547 1 27 . 1 1 11 11 VAL N N 15 129.4665 0.3 . 1 . . . . 893 V N . 26547 1 28 . 1 1 12 12 LYS H H 1 8.1306 0.02 . 1 . . . . 894 K H . 26547 1 29 . 1 1 12 12 LYS CA C 13 57.987 0.3 . 1 . . . . 894 K CA . 26547 1 30 . 1 1 12 12 LYS CB C 13 31.075 0.3 . 1 . . . . 894 K CB . 26547 1 31 . 1 1 12 12 LYS N N 15 128.8525 0.3 . 1 . . . . 894 K N . 26547 1 32 . 1 1 13 13 ASN CA C 13 54.581 0.3 . 1 . . . . 895 N CA . 26547 1 33 . 1 1 13 13 ASN CB C 13 36.988 0.3 . 1 . . . . 895 N CB . 26547 1 34 . 1 1 14 14 VAL H H 1 8.0576 0.02 . 1 . . . . 896 V H . 26547 1 35 . 1 1 14 14 VAL CA C 13 64.168 0.3 . 1 . . . . 896 V CA . 26547 1 36 . 1 1 14 14 VAL CB C 13 33.717 0.3 . 1 . . . . 896 V CB . 26547 1 37 . 1 1 14 14 VAL N N 15 119.7955 0.3 . 1 . . . . 896 V N . 26547 1 38 . 1 1 15 15 GLY H H 1 8.1246 0.02 . 1 . . . . 897 G H . 26547 1 39 . 1 1 15 15 GLY CA C 13 44.913 0.3 . 1 . . . . 897 G CA . 26547 1 40 . 1 1 15 15 GLY N N 15 108.4185 0.3 . 1 . . . . 897 G N . 26547 1 41 . 1 1 16 16 TRP H H 1 8.3186 0.02 . 1 . . . . 898 W H . 26547 1 42 . 1 1 16 16 TRP CA C 13 55.182 0.3 . 1 . . . . 898 W CA . 26547 1 43 . 1 1 16 16 TRP CB C 13 30.635 0.3 . 1 . . . . 898 W CB . 26547 1 44 . 1 1 16 16 TRP N N 15 121.0025 0.3 . 1 . . . . 898 W N . 26547 1 45 . 1 1 17 17 ALA H H 1 9.1906 0.02 . 1 . . . . 899 A H . 26547 1 46 . 1 1 17 17 ALA CA C 13 49.843 0.3 . 1 . . . . 899 A CA . 26547 1 47 . 1 1 17 17 ALA CB C 13 21.49 0.3 . 1 . . . . 899 A CB . 26547 1 48 . 1 1 17 17 ALA N N 15 122.5785 0.3 . 1 . . . . 899 A N . 26547 1 49 . 1 1 18 18 THR H H 1 8.9266 0.02 . 1 . . . . 900 T H . 26547 1 50 . 1 1 18 18 THR CA C 13 61.348 0.3 . 1 . . . . 900 T CA . 26547 1 51 . 1 1 18 18 THR CB C 13 71.455 0.3 . 1 . . . . 900 T CB . 26547 1 52 . 1 1 18 18 THR N N 15 119.0705 0.3 . 1 . . . . 900 T N . 26547 1 53 . 1 1 19 19 GLN H H 1 8.7276 0.02 . 1 . . . . 901 Q H . 26547 1 54 . 1 1 19 19 GLN CA C 13 54.28 0.3 . 1 . . . . 901 Q CA . 26547 1 55 . 1 1 19 19 GLN CB C 13 28.622 0.3 . 1 . . . . 901 Q CB . 26547 1 56 . 1 1 19 19 GLN N N 15 127.3425 0.3 . 1 . . . . 901 Q N . 26547 1 57 . 1 1 20 20 LEU H H 1 8.8336 0.02 . 1 . . . . 902 L H . 26547 1 58 . 1 1 20 20 LEU CA C 13 53.754 0.3 . 1 . . . . 902 L CA . 26547 1 59 . 1 1 20 20 LEU CB C 13 41.648 0.3 . 1 . . . . 902 L CB . 26547 1 60 . 1 1 20 20 LEU N N 15 126.5605 0.3 . 1 . . . . 902 L N . 26547 1 61 . 1 1 21 21 THR H H 1 8.7576 0.02 . 1 . . . . 903 T H . 26547 1 62 . 1 1 21 21 THR CA C 13 64.41 0.3 . 1 . . . . 903 T CA . 26547 1 63 . 1 1 21 21 THR CB C 13 68.184 0.3 . 1 . . . . 903 T CB . 26547 1 64 . 1 1 21 21 THR N N 15 114.5045 0.3 . 1 . . . . 903 T N . 26547 1 65 . 1 1 22 22 SER H H 1 7.6026 0.02 . 1 . . . . 904 S H . 26547 1 66 . 1 1 22 22 SER CA C 13 57.964 0.3 . 1 . . . . 904 S CA . 26547 1 67 . 1 1 22 22 SER CB C 13 63.153 0.3 . 1 . . . . 904 S CB . 26547 1 68 . 1 1 22 22 SER N N 15 112.9605 0.3 . 1 . . . . 904 S N . 26547 1 69 . 1 1 23 23 GLY H H 1 8.0906 0.02 . 1 . . . . 905 G H . 26547 1 70 . 1 1 23 23 GLY CA C 13 44.467 0.3 . 1 . . . . 905 G CA . 26547 1 71 . 1 1 23 23 GLY N N 15 110.2105 0.3 . 1 . . . . 905 G N . 26547 1 72 . 1 1 24 24 ALA H H 1 7.2786 0.02 . 1 . . . . 906 A H . 26547 1 73 . 1 1 24 24 ALA CA C 13 51.122 0.3 . 1 . . . . 906 A CA . 26547 1 74 . 1 1 24 24 ALA CB C 13 19.251 0.3 . 1 . . . . 906 A CB . 26547 1 75 . 1 1 24 24 ALA N N 15 122.4325 0.3 . 1 . . . . 906 A N . 26547 1 76 . 1 1 25 25 VAL H H 1 8.7526 0.02 . 1 . . . . 907 V H . 26547 1 77 . 1 1 25 25 VAL CA C 13 60.747 0.3 . 1 . . . . 907 V CA . 26547 1 78 . 1 1 25 25 VAL CB C 13 33.214 0.3 . 1 . . . . 907 V CB . 26547 1 79 . 1 1 25 25 VAL N N 15 119.1545 0.3 . 1 . . . . 907 V N . 26547 1 80 . 1 1 26 26 TRP H H 1 9.0566 0.02 . 1 . . . . 908 W H . 26547 1 81 . 1 1 26 26 TRP CA C 13 52.357 0.3 . 1 . . . . 908 W CA . 26547 1 82 . 1 1 26 26 TRP CB C 13 30.899 0.3 . 1 . . . . 908 W CB . 26547 1 83 . 1 1 26 26 TRP N N 15 129.3935 0.3 . 1 . . . . 908 W N . 26547 1 84 . 1 1 27 27 VAL H H 1 9.7076 0.02 . 1 . . . . 909 V H . 26547 1 85 . 1 1 27 27 VAL CA C 13 59.694 0.3 . 1 . . . . 909 V CA . 26547 1 86 . 1 1 27 27 VAL CB C 13 32.324 0.3 . 1 . . . . 909 V CB . 26547 1 87 . 1 1 27 27 VAL N N 15 129.8505 0.3 . 1 . . . . 909 V N . 26547 1 88 . 1 1 28 28 GLN H H 1 8.3806 0.02 . 1 . . . . 910 Q H . 26547 1 89 . 1 1 28 28 GLN CA C 13 52.4 0.3 . 1 . . . . 910 Q CA . 26547 1 90 . 1 1 28 28 GLN CB C 13 29.149 0.3 . 1 . . . . 910 Q CB . 26547 1 91 . 1 1 28 28 GLN N N 15 127.1225 0.3 . 1 . . . . 910 Q N . 26547 1 92 . 1 1 29 29 PHE H H 1 8.8636 0.02 . 1 . . . . 911 F H . 26547 1 93 . 1 1 29 29 PHE CA C 13 59.393 0.3 . 1 . . . . 911 F CA . 26547 1 94 . 1 1 29 29 PHE CB C 13 39.773 0.3 . 1 . . . . 911 F CB . 26547 1 95 . 1 1 29 29 PHE N N 15 121.9025 0.3 . 1 . . . . 911 F N . 26547 1 96 . 1 1 30 30 ASN CA C 13 54.017 0.3 . 1 . . . . 912 N CA . 26547 1 97 . 1 1 30 30 ASN CB C 13 36.988 0.3 . 1 . . . . 912 N CB . 26547 1 98 . 1 1 31 31 ASP H H 1 7.5066 0.02 . 1 . . . . 913 D H . 26547 1 99 . 1 1 31 31 ASP CA C 13 52.212 0.3 . 1 . . . . 913 D CA . 26547 1 100 . 1 1 31 31 ASP CB C 13 38.937 0.3 . 1 . . . . 913 D CB . 26547 1 101 . 1 1 31 31 ASP N N 15 115.4605 0.3 . 1 . . . . 913 D N . 26547 1 102 . 1 1 32 32 GLY H H 1 7.7316 0.02 . 1 . . . . 914 G H . 26547 1 103 . 1 1 32 32 GLY CA C 13 44.204 0.3 . 1 . . . . 914 G CA . 26547 1 104 . 1 1 32 32 GLY N N 15 108.0885 0.3 . 1 . . . . 914 G N . 26547 1 105 . 1 1 33 33 SER H H 1 8.1346 0.02 . 1 . . . . 915 S H . 26547 1 106 . 1 1 33 33 SER CA C 13 57.618 0.3 . 1 . . . . 915 S CA . 26547 1 107 . 1 1 33 33 SER CB C 13 65.291 0.3 . 1 . . . . 915 S CB . 26547 1 108 . 1 1 33 33 SER N N 15 118.3175 0.3 . 1 . . . . 915 S N . 26547 1 109 . 1 1 34 34 GLN H H 1 8.7496 0.02 . 1 . . . . 916 Q H . 26547 1 110 . 1 1 34 34 GLN CA C 13 53.742 0.3 . 1 . . . . 916 Q CA . 26547 1 111 . 1 1 34 34 GLN CB C 13 34.346 0.3 . 1 . . . . 916 Q CB . 26547 1 112 . 1 1 34 34 GLN N N 15 114.5775 0.3 . 1 . . . . 916 Q N . 26547 1 113 . 1 1 35 35 LEU H H 1 8.9446 0.02 . 1 . . . . 917 L H . 26547 1 114 . 1 1 35 35 LEU CA C 13 53.302 0.3 . 1 . . . . 917 L CA . 26547 1 115 . 1 1 35 35 LEU CB C 13 48.372 0.3 . 1 . . . . 917 L CB . 26547 1 116 . 1 1 35 35 LEU N N 15 121.3765 0.3 . 1 . . . . 917 L N . 26547 1 117 . 1 1 36 36 VAL H H 1 8.9956 0.02 . 1 . . . . 918 V H . 26547 1 118 . 1 1 36 36 VAL CA C 13 61.348 0.3 . 1 . . . . 918 V CA . 26547 1 119 . 1 1 36 36 VAL CB C 13 33.78 0.3 . 1 . . . . 918 V CB . 26547 1 120 . 1 1 36 36 VAL N N 15 123.9495 0.3 . 1 . . . . 918 V N . 26547 1 121 . 1 1 39 39 ALA CA C 13 52.588 0.3 . 1 . . . . 921 A CA . 26547 1 122 . 1 1 39 39 ALA CB C 13 17.167 0.3 . 1 . . . . 921 A CB . 26547 1 123 . 1 1 40 40 GLY H H 1 9.2746 0.02 . 1 . . . . 922 G H . 26547 1 124 . 1 1 40 40 GLY CA C 13 44.956 0.3 . 1 . . . . 922 G CA . 26547 1 125 . 1 1 40 40 GLY N N 15 112.1305 0.3 . 1 . . . . 922 G N . 26547 1 126 . 1 1 41 41 VAL H H 1 7.7406 0.02 . 1 . . . . 923 V H . 26547 1 127 . 1 1 41 41 VAL CA C 13 61.1 0.3 . 1 . . . . 923 V CA . 26547 1 128 . 1 1 41 41 VAL CB C 13 31.327 0.3 . 1 . . . . 923 V CB . 26547 1 129 . 1 1 41 41 VAL N N 15 121.2345 0.3 . 1 . . . . 923 V N . 26547 1 130 . 1 1 42 42 SER CA C 13 58.561 0.3 . 1 . . . . 924 S CA . 26547 1 131 . 1 1 42 42 SER CB C 13 62.335 0.3 . 1 . . . . 924 S CB . 26547 1 132 . 1 1 43 43 SER H H 1 7.2996 0.02 . 1 . . . . 925 S H . 26547 1 133 . 1 1 43 43 SER CA C 13 56.485 0.3 . 1 . . . . 925 S CA . 26547 1 134 . 1 1 43 43 SER CB C 13 64.347 0.3 . 1 . . . . 925 S CB . 26547 1 135 . 1 1 43 43 SER N N 15 113.6225 0.3 . 1 . . . . 925 S N . 26547 1 136 . 1 1 44 44 ILE H H 1 8.8256 0.02 . 1 . . . . 926 I H . 26547 1 137 . 1 1 44 44 ILE CA C 13 59.318 0.3 . 1 . . . . 926 I CA . 26547 1 138 . 1 1 44 44 ILE CB C 13 40.007 0.3 . 1 . . . . 926 I CB . 26547 1 139 . 1 1 44 44 ILE N N 15 119.3325 0.3 . 1 . . . . 926 I N . 26547 1 140 . 1 1 45 45 SER CA C 13 56.782 0.3 . 1 . . . . 927 S CA . 26547 1 141 . 1 1 45 45 SER CB C 13 63.593 0.3 . 1 . . . . 927 S CB . 26547 1 142 . 1 1 46 46 TYR H H 1 9.2826 0.02 . 1 . . . . 928 Y H . 26547 1 143 . 1 1 46 46 TYR CA C 13 55.711 0.3 . 1 . . . . 928 Y CA . 26547 1 144 . 1 1 46 46 TYR CB C 13 41.982 0.3 . 1 . . . . 928 Y CB . 26547 1 145 . 1 1 46 46 TYR N N 15 129.8675 0.3 . 1 . . . . 928 Y N . 26547 1 146 . 1 1 47 47 THR H H 1 8.7696 0.02 . 1 . . . . 929 T H . 26547 1 147 . 1 1 47 47 THR CA C 13 60.259 0.3 . 1 . . . . 929 T CA . 26547 1 148 . 1 1 47 47 THR CB C 13 69.756 0.3 . 1 . . . . 929 T CB . 26547 1 149 . 1 1 47 47 THR N N 15 125.4035 0.3 . 1 . . . . 929 T N . 26547 1 150 . 1 1 48 48 SER H H 1 8.6996 0.02 . 1 . . . . 930 S H . 26547 1 151 . 1 1 48 48 SER CA C 13 56.273 0.3 . 1 . . . . 930 S CA . 26547 1 152 . 1 1 48 48 SER CB C 13 62.272 0.3 . 1 . . . . 930 S CB . 26547 1 153 . 1 1 48 48 SER N N 15 122.2715 0.3 . 1 . . . . 930 S N . 26547 1 154 . 1 1 50 50 ASN CA C 13 52.024 0.3 . 1 . . . . 932 N CA . 26547 1 155 . 1 1 50 50 ASN CB C 13 37.084 0.3 . 1 . . . . 932 N CB . 26547 1 156 . 1 1 51 51 GLY H H 1 8.1806 0.02 . 1 . . . . 933 G H . 26547 1 157 . 1 1 51 51 GLY CA C 13 45.031 0.3 . 1 . . . . 933 G CA . 26547 1 158 . 1 1 51 51 GLY N N 15 108.0935 0.3 . 1 . . . . 933 G N . 26547 1 159 . 1 1 52 52 GLN H H 1 7.5856 0.02 . 1 . . . . 934 Q H . 26547 1 160 . 1 1 52 52 GLN CA C 13 54.881 0.3 . 1 . . . . 934 Q CA . 26547 1 161 . 1 1 52 52 GLN CB C 13 28.056 0.3 . 1 . . . . 934 Q CB . 26547 1 162 . 1 1 52 52 GLN N N 15 120.5715 0.3 . 1 . . . . 934 Q N . 26547 1 163 . 1 1 53 53 THR H H 1 9.2606 0.02 . 1 . . . . 935 T H . 26547 1 164 . 1 1 53 53 THR CA C 13 61.848 0.3 . 1 . . . . 935 T CA . 26547 1 165 . 1 1 53 53 THR CB C 13 69.411 0.3 . 1 . . . . 935 T CB . 26547 1 166 . 1 1 53 53 THR N N 15 128.0075 0.3 . 1 . . . . 935 T N . 26547 1 167 . 1 1 54 54 THR H H 1 9.6586 0.02 . 1 . . . . 936 T H . 26547 1 168 . 1 1 54 54 THR CA C 13 61.53 0.3 . 1 . . . . 936 T CA . 26547 1 169 . 1 1 54 54 THR CB C 13 71.084 0.3 . 1 . . . . 936 T CB . 26547 1 170 . 1 1 54 54 THR N N 15 125.3465 0.3 . 1 . . . . 936 T N . 26547 1 171 . 1 1 55 55 ARG H H 1 8.4506 0.02 . 1 . . . . 937 R H . 26547 1 172 . 1 1 55 55 ARG CA C 13 53.826 0.3 . 1 . . . . 937 R CA . 26547 1 173 . 1 1 55 55 ARG CB C 13 30.572 0.3 . 1 . . . . 937 R CB . 26547 1 174 . 1 1 55 55 ARG N N 15 126.0195 0.3 . 1 . . . . 937 R N . 26547 1 175 . 1 1 56 56 TYR H H 1 8.7606 0.02 . 1 . . . . 938 Y H . 26547 1 176 . 1 1 56 56 TYR CA C 13 56.837 0.3 . 1 . . . . 938 Y CA . 26547 1 177 . 1 1 56 56 TYR CB C 13 40.699 0.3 . 1 . . . . 938 Y CB . 26547 1 178 . 1 1 56 56 TYR N N 15 122.8175 0.3 . 1 . . . . 938 Y N . 26547 1 179 . 1 1 57 57 GLY H H 1 9.2066 0.02 . 1 . . . . 939 G H . 26547 1 180 . 1 1 57 57 GLY CA C 13 43.452 0.3 . 1 . . . . 939 G CA . 26547 1 181 . 1 1 57 57 GLY N N 15 112.2425 0.3 . 1 . . . . 939 G N . 26547 1 182 . 1 1 58 58 GLU H H 1 8.1756 0.02 . 1 . . . . 940 E H . 26547 1 183 . 1 1 58 58 GLU CA C 13 57.377 0.3 . 1 . . . . 940 E CA . 26547 1 184 . 1 1 58 58 GLU CB C 13 28.811 0.3 . 1 . . . . 940 E CB . 26547 1 185 . 1 1 58 58 GLU N N 15 118.2275 0.3 . 1 . . . . 940 E N . 26547 1 186 . 1 1 59 59 ASN H H 1 8.5906 0.02 . 1 . . . . 941 N H . 26547 1 187 . 1 1 59 59 ASN CA C 13 52.649 0.3 . 1 . . . . 941 N CA . 26547 1 188 . 1 1 59 59 ASN CB C 13 37.491 0.3 . 1 . . . . 941 N CB . 26547 1 189 . 1 1 59 59 ASN N N 15 115.5225 0.3 . 1 . . . . 941 N N . 26547 1 190 . 1 1 60 60 GLU H H 1 7.3866 0.02 . 1 . . . . 942 E H . 26547 1 191 . 1 1 60 60 GLU CA C 13 54.881 0.3 . 1 . . . . 942 E CA . 26547 1 192 . 1 1 60 60 GLU CB C 13 30.824 0.3 . 1 . . . . 942 E CB . 26547 1 193 . 1 1 60 60 GLU N N 15 119.0095 0.3 . 1 . . . . 942 E N . 26547 1 194 . 1 1 61 61 LYS H H 1 8.6666 0.02 . 1 . . . . 943 K H . 26547 1 195 . 1 1 61 61 LYS CA C 13 56.01 0.3 . 1 . . . . 943 K CA . 26547 1 196 . 1 1 61 61 LYS CB C 13 30.824 0.3 . 1 . . . . 943 K CB . 26547 1 197 . 1 1 61 61 LYS N N 15 124.2885 0.3 . 1 . . . . 943 K N . 26547 1 198 . 1 1 62 62 LEU H H 1 8.7526 0.02 . 1 . . . . 944 L H . 26547 1 199 . 1 1 62 62 LEU CA C 13 51.229 0.3 . 1 . . . . 944 L CA . 26547 1 200 . 1 1 62 62 LEU CB C 13 41.076 0.3 . 1 . . . . 944 L CB . 26547 1 201 . 1 1 62 62 LEU N N 15 129.1175 0.3 . 1 . . . . 944 L N . 26547 1 202 . 1 1 64 64 ASP CA C 13 57.551 0.3 . 1 . . . . 946 D CA . 26547 1 203 . 1 1 64 64 ASP CB C 13 38.875 0.3 . 1 . . . . 946 D CB . 26547 1 204 . 1 1 65 65 TYR H H 1 7.8406 0.02 . 1 . . . . 947 Y H . 26547 1 205 . 1 1 65 65 TYR CA C 13 58.566 0.3 . 1 . . . . 947 Y CA . 26547 1 206 . 1 1 65 65 TYR CB C 13 35.352 0.3 . 1 . . . . 947 Y CB . 26547 1 207 . 1 1 65 65 TYR N N 15 114.6685 0.3 . 1 . . . . 947 Y N . 26547 1 208 . 1 1 66 66 ILE H H 1 6.1466 0.02 . 1 . . . . 948 I H . 26547 1 209 . 1 1 66 66 ILE CA C 13 61.837 0.3 . 1 . . . . 948 I CA . 26547 1 210 . 1 1 66 66 ILE CB C 13 34.598 0.3 . 1 . . . . 948 I CB . 26547 1 211 . 1 1 66 66 ILE N N 15 121.7025 0.3 . 1 . . . . 948 I N . 26547 1 212 . 1 1 67 67 LYS H H 1 7.5866 0.02 . 1 . . . . 949 K H . 26547 1 213 . 1 1 67 67 LYS CA C 13 60.634 0.3 . 1 . . . . 949 K CA . 26547 1 214 . 1 1 67 67 LYS CB C 13 29.943 0.3 . 1 . . . . 949 K CB . 26547 1 215 . 1 1 67 67 LYS N N 15 121.4055 0.3 . 1 . . . . 949 K N . 26547 1 216 . 1 1 68 68 GLN H H 1 8.1466 0.02 . 1 . . . . 950 Q H . 26547 1 217 . 1 1 68 68 GLN CA C 13 58.265 0.3 . 1 . . . . 950 Q CA . 26547 1 218 . 1 1 68 68 GLN CB C 13 27.05 0.3 . 1 . . . . 950 Q CB . 26547 1 219 . 1 1 68 68 GLN N N 15 116.3455 0.3 . 1 . . . . 950 Q N . 26547 1 220 . 1 1 69 69 LYS H H 1 7.0096 0.02 . 1 . . . . 951 K H . 26547 1 221 . 1 1 69 69 LYS CA C 13 58.716 0.3 . 1 . . . . 951 K CA . 26547 1 222 . 1 1 69 69 LYS CB C 13 30.887 0.3 . 1 . . . . 951 K CB . 26547 1 223 . 1 1 69 69 LYS N N 15 119.8745 0.3 . 1 . . . . 951 K N . 26547 1 224 . 1 1 70 70 LEU H H 1 8.3556 0.02 . 1 . . . . 952 L H . 26547 1 225 . 1 1 70 70 LEU CA C 13 56.912 0.3 . 1 . . . . 952 L CA . 26547 1 226 . 1 1 70 70 LEU CB C 13 40.824 0.3 . 1 . . . . 952 L CB . 26547 1 227 . 1 1 70 70 LEU N N 15 120.8695 0.3 . 1 . . . . 952 L N . 26547 1 228 . 1 1 71 71 GLN H H 1 8.2606 0.02 . 1 . . . . 953 Q H . 26547 1 229 . 1 1 71 71 GLN CA C 13 58.265 0.3 . 1 . . . . 953 Q CA . 26547 1 230 . 1 1 71 71 GLN CB C 13 26.987 0.3 . 1 . . . . 953 Q CB . 26547 1 231 . 1 1 71 71 GLN N N 15 120.1625 0.3 . 1 . . . . 953 Q N . 26547 1 232 . 1 1 72 72 CYS H H 1 7.7936 0.02 . 1 . . . . 954 C H . 26547 1 233 . 1 1 72 72 CYS CA C 13 61.499 0.3 . 1 . . . . 954 C CA . 26547 1 234 . 1 1 72 72 CYS CB C 13 25.666 0.3 . 1 . . . . 954 C CB . 26547 1 235 . 1 1 72 72 CYS N N 15 118.8415 0.3 . 1 . . . . 954 C N . 26547 1 236 . 1 1 73 73 LEU H H 1 8.1896 0.02 . 1 . . . . 955 L H . 26547 1 237 . 1 1 73 73 LEU CA C 13 57.438 0.3 . 1 . . . . 955 L CA . 26547 1 238 . 1 1 73 73 LEU CB C 13 40.132 0.3 . 1 . . . . 955 L CB . 26547 1 239 . 1 1 73 73 LEU N N 15 120.6695 0.3 . 1 . . . . 955 L N . 26547 1 240 . 1 1 74 74 SER H H 1 8.3486 0.02 . 1 . . . . 956 S H . 26547 1 241 . 1 1 74 74 SER CA C 13 61.649 0.3 . 1 . . . . 956 S CA . 26547 1 242 . 1 1 74 74 SER N N 15 114.2025 0.3 . 1 . . . . 956 S N . 26547 1 243 . 1 1 75 75 SER H H 1 7.6346 0.02 . 1 . . . . 957 S H . 26547 1 244 . 1 1 75 75 SER CA C 13 60.825 0.3 . 1 . . . . 957 S CA . 26547 1 245 . 1 1 75 75 SER CB C 13 62.209 0.3 . 1 . . . . 957 S CB . 26547 1 246 . 1 1 75 75 SER N N 15 114.4285 0.3 . 1 . . . . 957 S N . 26547 1 247 . 1 1 76 76 ILE H H 1 7.7836 0.02 . 1 . . . . 958 I H . 26547 1 248 . 1 1 76 76 ILE CA C 13 63.718 0.3 . 1 . . . . 958 I CA . 26547 1 249 . 1 1 76 76 ILE CB C 13 37.051 0.3 . 1 . . . . 958 I CB . 26547 1 250 . 1 1 76 76 ILE N N 15 122.5625 0.3 . 1 . . . . 958 I N . 26547 1 251 . 1 1 77 77 LEU H H 1 8.1306 0.02 . 1 . . . . 959 L H . 26547 1 252 . 1 1 77 77 LEU CA C 13 57.465 0.3 . 1 . . . . 959 L CA . 26547 1 253 . 1 1 77 77 LEU CB C 13 39.719 0.3 . 1 . . . . 959 L CB . 26547 1 254 . 1 1 77 77 LEU N N 15 117.9265 0.3 . 1 . . . . 959 L N . 26547 1 255 . 1 1 78 78 LEU H H 1 7.4796 0.02 . 1 . . . . 960 L H . 26547 1 256 . 1 1 78 78 LEU CA C 13 56.461 0.3 . 1 . . . . 960 L CA . 26547 1 257 . 1 1 78 78 LEU CB C 13 40.007 0.3 . 1 . . . . 960 L CB . 26547 1 258 . 1 1 78 78 LEU N N 15 117.2955 0.3 . 1 . . . . 960 L N . 26547 1 259 . 1 1 79 79 MET H H 1 7.7946 0.02 . 1 . . . . 961 M H . 26547 1 260 . 1 1 79 79 MET CA C 13 56.874 0.3 . 1 . . . . 961 M CA . 26547 1 261 . 1 1 79 79 MET CB C 13 30.883 0.3 . 1 . . . . 961 M CB . 26547 1 262 . 1 1 79 79 MET N N 15 118.1795 0.3 . 1 . . . . 961 M N . 26547 1 263 . 1 1 80 80 PHE H H 1 7.5326 0.02 . 1 . . . . 962 F H . 26547 1 264 . 1 1 80 80 PHE CA C 13 58.491 0.3 . 1 . . . . 962 F CA . 26547 1 265 . 1 1 80 80 PHE CB C 13 38.434 0.3 . 1 . . . . 962 F CB . 26547 1 266 . 1 1 80 80 PHE N N 15 116.3225 0.3 . 1 . . . . 962 F N . 26547 1 267 . 1 1 81 81 SER H H 1 7.6266 0.02 . 1 . . . . 963 S H . 26547 1 268 . 1 1 81 81 SER CA C 13 58.247 0.3 . 1 . . . . 963 S CA . 26547 1 269 . 1 1 81 81 SER CB C 13 63.215 0.3 . 1 . . . . 963 S CB . 26547 1 270 . 1 1 81 81 SER N N 15 113.9295 0.3 . 1 . . . . 963 S N . 26547 1 271 . 1 1 82 82 ASN H H 1 8.1156 0.02 . 1 . . . . 964 N H . 26547 1 272 . 1 1 82 82 ASN CA C 13 50.934 0.3 . 1 . . . . 964 N CA . 26547 1 273 . 1 1 82 82 ASN CB C 13 38.057 0.3 . 1 . . . . 964 N CB . 26547 1 274 . 1 1 82 82 ASN N N 15 122.0125 0.3 . 1 . . . . 964 N N . 26547 1 275 . 1 1 83 83 PRO CA C 13 62.739 0.3 . 1 . . . . 965 P CA . 26547 1 276 . 1 1 83 83 PRO CB C 13 30.95 0.3 . 1 . . . . 965 P CB . 26547 1 277 . 1 1 84 84 THR H H 1 8.1996 0.02 . 1 . . . . 966 T H . 26547 1 278 . 1 1 84 84 THR CA C 13 59.055 0.3 . 1 . . . . 966 T CA . 26547 1 279 . 1 1 84 84 THR CB C 13 69.065 0.3 . 1 . . . . 966 T CB . 26547 1 280 . 1 1 84 84 THR N N 15 116.8515 0.3 . 1 . . . . 966 T N . 26547 1 281 . 1 1 85 85 PRO CA C 13 62.664 0.3 . 1 . . . . 967 P CA . 26547 1 282 . 1 1 85 85 PRO CB C 13 30.95 0.3 . 1 . . . . 967 P CB . 26547 1 283 . 1 1 86 86 ASN H H 1 8.2976 0.02 . 1 . . . . 968 N H . 26547 1 284 . 1 1 86 86 ASN CA C 13 52.475 0.3 . 1 . . . . 968 N CA . 26547 1 285 . 1 1 86 86 ASN CB C 13 38.057 0.3 . 1 . . . . 968 N CB . 26547 1 286 . 1 1 86 86 ASN N N 15 118.5125 0.3 . 1 . . . . 968 N N . 26547 1 287 . 1 1 87 87 PHE H H 1 8.0276 0.02 . 1 . . . . 969 F H . 26547 1 288 . 1 1 87 87 PHE CA C 13 57.137 0.3 . 1 . . . . 969 F CA . 26547 1 289 . 1 1 87 87 PHE CB C 13 38.497 0.3 . 1 . . . . 969 F CB . 26547 1 290 . 1 1 87 87 PHE N N 15 121.0315 0.3 . 1 . . . . 969 F N . 26547 1 291 . 1 1 88 88 HIS H H 1 7.7596 0.02 . 1 . . . . 970 H H . 26547 1 292 . 1 1 88 88 HIS CA C 13 56.874 0.3 . 1 . . . . 970 H CA . 26547 1 293 . 1 1 88 88 HIS CB C 13 29.88 0.3 . 1 . . . . 970 H CB . 26547 1 294 . 1 1 88 88 HIS N N 15 125.4885 0.3 . 1 . . . . 970 H N . 26547 1 stop_ save_