data_26547 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; STIL binding to the Polo-box 3 of PLK4 regulates centriole duplication - Backbone assignment of human Polo-box 3 bound to STIL ; _BMRB_accession_number 26547 _BMRB_flat_file_name bmr26547.str _Entry_type original _Submission_date 2015-03-23 _Accession_date 2015-03-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Boehm Raphael . . 2 Arquint Christian . . 3 Gabryjonczyk Anna-Maria . . 4 Imseng Stefan . . 5 Sauer Evelyn . . 6 Nigg Erich . . 7 Maier Timm . . 8 Hiller Sebastian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 70 "13C chemical shifts" 154 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25552 'human Polo-box 3' stop_ _Original_release_date 2015-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; STIL binding to Polo-box 3 of PLK4 regulates centriole duplication. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26188084 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Arquint Christian . . 2 Gabryjonczyk Anna-Maria . . 3 Imseng Stefan . . 4 Boehm Raphael . . 5 Sauer Evelyn . . 6 Hiller Sebastian . . 7 Nigg Erich . . 8 Maier Timm . . stop_ _Journal_abbreviation eLife _Journal_name_full eLife _Journal_volume 4 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PLK4-PB3/STIL-CC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PLK4-PB3 $PLK4-PB3 STIL-CC $SCL-TAL1_INTERRUPTING_LOCUS_PROTEIN-COILED_COIL_REGION_(STIL-CC) stop_ _System_molecular_weight 13.4 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PLK4-PB3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PLK4-PB3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; GSAQLLKSVFVKNVGWATQL TSGAVWVQFNDGSQLVVQAG VSSISYTSPNGQTTRYGENE KLPDYIKQKLQCLSSILLMF SNPTPNFH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 883 GLY 2 884 SER 3 885 ALA 4 886 GLN 5 887 LEU 6 888 LEU 7 889 LYS 8 890 SER 9 891 VAL 10 892 PHE 11 893 VAL 12 894 LYS 13 895 ASN 14 896 VAL 15 897 GLY 16 898 TRP 17 899 ALA 18 900 THR 19 901 GLN 20 902 LEU 21 903 THR 22 904 SER 23 905 GLY 24 906 ALA 25 907 VAL 26 908 TRP 27 909 VAL 28 910 GLN 29 911 PHE 30 912 ASN 31 913 ASP 32 914 GLY 33 915 SER 34 916 GLN 35 917 LEU 36 918 VAL 37 919 VAL 38 920 GLN 39 921 ALA 40 922 GLY 41 923 VAL 42 924 SER 43 925 SER 44 926 ILE 45 927 SER 46 928 TYR 47 929 THR 48 930 SER 49 931 PRO 50 932 ASN 51 933 GLY 52 934 GLN 53 935 THR 54 936 THR 55 937 ARG 56 938 TYR 57 939 GLY 58 940 GLU 59 941 ASN 60 942 GLU 61 943 LYS 62 944 LEU 63 945 PRO 64 946 ASP 65 947 TYR 66 948 ILE 67 949 LYS 68 950 GLN 69 951 LYS 70 952 LEU 71 953 GLN 72 954 CYS 73 955 LEU 74 956 SER 75 957 SER 76 958 ILE 77 959 LEU 78 960 LEU 79 961 MET 80 962 PHE 81 963 SER 82 964 ASN 83 965 PRO 84 966 THR 85 967 PRO 86 968 ASN 87 969 PHE 88 970 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 25552 entity 100.00 88 100.00 100.00 2.66e-56 PDB 2N19 "Stil Binding To The Polo-box Domain 3 Of Plk4 Regulates Centriole Duplication" 100.00 88 100.00 100.00 2.66e-56 PDB 4YYP "Crystal Structure Of Human Plk4-pb3 In Complex With Stil-cc" 98.86 87 100.00 100.00 1.42e-55 DBJ BAB24599 "unnamed protein product [Mus musculus]" 97.73 535 97.67 100.00 1.12e-49 DBJ BAB69958 "Sak [Homo sapiens]" 98.86 970 100.00 100.00 7.35e-51 DBJ BAE02419 "unnamed protein product [Macaca fascicularis]" 98.86 575 97.70 98.85 8.69e-50 DBJ BAE23231 "unnamed protein product [Mus musculus]" 97.73 925 97.67 100.00 9.05e-49 DBJ BAE23367 "unnamed protein product [Mus musculus]" 97.73 925 97.67 100.00 9.05e-49 EMBL CAA73575 "serine/threonine protein kinase [Homo sapiens]" 98.86 970 100.00 100.00 6.59e-51 EMBL CAH91413 "hypothetical protein [Pongo abelii]" 98.86 970 97.70 98.85 1.40e-49 GB AAC37648 "serine/threonine kinase [Mus musculus]" 97.73 925 97.67 100.00 8.02e-49 GB AAH26785 "Polo-like kinase 4 (Drosophila) [Mus musculus]" 97.73 925 97.67 100.00 8.87e-49 GB AAH36023 "Polo-like kinase 4 (Drosophila) [Homo sapiens]" 98.86 970 100.00 100.00 6.72e-51 GB AAH57940 "Plk4 protein [Mus musculus]" 97.73 898 97.67 100.00 7.72e-49 GB AAX43264 "polo-like kinase 4 [synthetic construct]" 98.86 971 100.00 100.00 7.39e-51 REF NP_001153257 "serine/threonine-protein kinase PLK4 [Pongo abelii]" 98.86 970 97.70 98.85 1.40e-49 REF NP_001177728 "serine/threonine-protein kinase PLK4 isoform 2 [Homo sapiens]" 98.86 938 100.00 100.00 6.62e-51 REF NP_001177730 "serine/threonine-protein kinase PLK4 isoform 3 [Homo sapiens]" 98.86 929 100.00 100.00 5.88e-51 REF NP_035625 "serine/threonine-protein kinase PLK4 isoform 1 [Mus musculus]" 97.73 925 97.67 100.00 9.05e-49 REF NP_055079 "serine/threonine-protein kinase PLK4 isoform 1 [Homo sapiens]" 98.86 970 100.00 100.00 6.72e-51 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 6.72e-51 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 1.40e-49 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 9.05e-49 stop_ save_ save_SCL-TAL1_INTERRUPTING_LOCUS_PROTEIN-COILED_COIL_REGION_(STIL-CC) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PLK4-PB3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 88 _Mol_residue_sequence ; PDAYRFLTEQDRQLRLLQAQ IQRLLEAQSLMP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 PRO 2 2 ASP 3 3 ALA 4 4 TYR 5 5 ARG 6 6 PHE 7 7 LEU 8 8 THR 9 9 GLU 10 10 GLN 11 11 ASP 12 12 ARG 13 13 GLN 14 14 LEU 15 15 ARG 16 16 LEU 17 17 LEU 18 18 GLN 19 19 ALA 20 20 GLN 21 21 ILE 22 22 GLN 23 23 ARG 24 24 LEU 25 25 LEU 26 26 GLU 27 27 ALA 28 28 GLN 29 29 SER 30 30 LEU 31 31 MET 32 32 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PLK4-PB3 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PLK4-PB3 'recombinant technology' . Escherichia coli . pETG-30A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Deuterated-triple_labelled_PLK4-PB3-STIL-CC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PLK4-PB3 800 uM '[U-13C; U-15N; U-2H]' 'SCL/TAL1 INTERRUPTING LOCUS PROTEIN-COILED COIL REGION (STIL-CC)' 800 uM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' TCEP 2 mM 'natural abundance' MOPS 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Deuterated-triple_labelled_PLK4-PB3-STIL-CC save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Deuterated-triple_labelled_PLK4-PB3-STIL-CC save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Deuterated-triple_labelled_PLK4-PB3-STIL-CC save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Deuterated-triple_labelled_PLK4-PB3-STIL-CC save_ save_3D_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $Deuterated-triple_labelled_PLK4-PB3-STIL-CC save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.03 . M pH 7 . pH pressure 1 . atm temperature 293.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HNCACO' stop_ loop_ _Sample_label $Deuterated-triple_labelled_PLK4-PB3-STIL-CC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PLK4-PB3 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 885 3 ALA CA C 52.099 0.3 1 2 885 3 ALA CB C 18.182 0.3 1 3 886 4 GLN H H 8.2226 0.02 1 4 886 4 GLN CA C 55.032 0.3 1 5 886 4 GLN CB C 28.937 0.3 1 6 886 4 GLN N N 119.3745 0.3 1 7 887 5 LEU H H 8.1426 0.02 1 8 887 5 LEU CA C 54.994 0.3 1 9 887 5 LEU CB C 41.202 0.3 1 10 887 5 LEU N N 123.0075 0.3 1 11 888 6 LEU H H 8.1026 0.02 1 12 888 6 LEU CA C 55.145 0.3 1 13 888 6 LEU CB C 40.95 0.3 1 14 888 6 LEU N N 122.5115 0.3 1 15 890 8 SER CA C 58.247 0.3 1 16 891 9 VAL H H 9.4756 0.02 1 17 891 9 VAL CA C 59.398 0.3 1 18 891 9 VAL CB C 34.283 0.3 1 19 891 9 VAL N N 122.9715 0.3 1 20 892 10 PHE H H 8.2436 0.02 1 21 892 10 PHE CA C 55.722 0.3 1 22 892 10 PHE CB C 38.461 0.3 1 23 892 10 PHE N N 125.3595 0.3 1 24 893 11 VAL H H 8.1586 0.02 1 25 893 11 VAL CA C 59.946 0.3 1 26 893 11 VAL CB C 31.216 0.3 1 27 893 11 VAL N N 129.4665 0.3 1 28 894 12 LYS H H 8.1306 0.02 1 29 894 12 LYS CA C 57.987 0.3 1 30 894 12 LYS CB C 31.075 0.3 1 31 894 12 LYS N N 128.8525 0.3 1 32 895 13 ASN CA C 54.581 0.3 1 33 895 13 ASN CB C 36.988 0.3 1 34 896 14 VAL H H 8.0576 0.02 1 35 896 14 VAL CA C 64.168 0.3 1 36 896 14 VAL CB C 33.717 0.3 1 37 896 14 VAL N N 119.7955 0.3 1 38 897 15 GLY H H 8.1246 0.02 1 39 897 15 GLY CA C 44.913 0.3 1 40 897 15 GLY N N 108.4185 0.3 1 41 898 16 TRP H H 8.3186 0.02 1 42 898 16 TRP CA C 55.182 0.3 1 43 898 16 TRP CB C 30.635 0.3 1 44 898 16 TRP N N 121.0025 0.3 1 45 899 17 ALA H H 9.1906 0.02 1 46 899 17 ALA CA C 49.843 0.3 1 47 899 17 ALA CB C 21.49 0.3 1 48 899 17 ALA N N 122.5785 0.3 1 49 900 18 THR H H 8.9266 0.02 1 50 900 18 THR CA C 61.348 0.3 1 51 900 18 THR CB C 71.455 0.3 1 52 900 18 THR N N 119.0705 0.3 1 53 901 19 GLN H H 8.7276 0.02 1 54 901 19 GLN CA C 54.28 0.3 1 55 901 19 GLN CB C 28.622 0.3 1 56 901 19 GLN N N 127.3425 0.3 1 57 902 20 LEU H H 8.8336 0.02 1 58 902 20 LEU CA C 53.754 0.3 1 59 902 20 LEU CB C 41.648 0.3 1 60 902 20 LEU N N 126.5605 0.3 1 61 903 21 THR H H 8.7576 0.02 1 62 903 21 THR CA C 64.41 0.3 1 63 903 21 THR CB C 68.184 0.3 1 64 903 21 THR N N 114.5045 0.3 1 65 904 22 SER H H 7.6026 0.02 1 66 904 22 SER CA C 57.964 0.3 1 67 904 22 SER CB C 63.153 0.3 1 68 904 22 SER N N 112.9605 0.3 1 69 905 23 GLY H H 8.0906 0.02 1 70 905 23 GLY CA C 44.467 0.3 1 71 905 23 GLY N N 110.2105 0.3 1 72 906 24 ALA H H 7.2786 0.02 1 73 906 24 ALA CA C 51.122 0.3 1 74 906 24 ALA CB C 19.251 0.3 1 75 906 24 ALA N N 122.4325 0.3 1 76 907 25 VAL H H 8.7526 0.02 1 77 907 25 VAL CA C 60.747 0.3 1 78 907 25 VAL CB C 33.214 0.3 1 79 907 25 VAL N N 119.1545 0.3 1 80 908 26 TRP H H 9.0566 0.02 1 81 908 26 TRP CA C 52.357 0.3 1 82 908 26 TRP CB C 30.899 0.3 1 83 908 26 TRP N N 129.3935 0.3 1 84 909 27 VAL H H 9.7076 0.02 1 85 909 27 VAL CA C 59.694 0.3 1 86 909 27 VAL CB C 32.324 0.3 1 87 909 27 VAL N N 129.8505 0.3 1 88 910 28 GLN H H 8.3806 0.02 1 89 910 28 GLN CA C 52.4 0.3 1 90 910 28 GLN CB C 29.149 0.3 1 91 910 28 GLN N N 127.1225 0.3 1 92 911 29 PHE H H 8.8636 0.02 1 93 911 29 PHE CA C 59.393 0.3 1 94 911 29 PHE CB C 39.773 0.3 1 95 911 29 PHE N N 121.9025 0.3 1 96 912 30 ASN CA C 54.017 0.3 1 97 912 30 ASN CB C 36.988 0.3 1 98 913 31 ASP H H 7.5066 0.02 1 99 913 31 ASP CA C 52.212 0.3 1 100 913 31 ASP CB C 38.937 0.3 1 101 913 31 ASP N N 115.4605 0.3 1 102 914 32 GLY H H 7.7316 0.02 1 103 914 32 GLY CA C 44.204 0.3 1 104 914 32 GLY N N 108.0885 0.3 1 105 915 33 SER H H 8.1346 0.02 1 106 915 33 SER CA C 57.618 0.3 1 107 915 33 SER CB C 65.291 0.3 1 108 915 33 SER N N 118.3175 0.3 1 109 916 34 GLN H H 8.7496 0.02 1 110 916 34 GLN CA C 53.742 0.3 1 111 916 34 GLN CB C 34.346 0.3 1 112 916 34 GLN N N 114.5775 0.3 1 113 917 35 LEU H H 8.9446 0.02 1 114 917 35 LEU CA C 53.302 0.3 1 115 917 35 LEU CB C 48.372 0.3 1 116 917 35 LEU N N 121.3765 0.3 1 117 918 36 VAL H H 8.9956 0.02 1 118 918 36 VAL CA C 61.348 0.3 1 119 918 36 VAL CB C 33.78 0.3 1 120 918 36 VAL N N 123.9495 0.3 1 121 921 39 ALA CA C 52.588 0.3 1 122 921 39 ALA CB C 17.167 0.3 1 123 922 40 GLY H H 9.2746 0.02 1 124 922 40 GLY CA C 44.956 0.3 1 125 922 40 GLY N N 112.1305 0.3 1 126 923 41 VAL H H 7.7406 0.02 1 127 923 41 VAL CA C 61.1 0.3 1 128 923 41 VAL CB C 31.327 0.3 1 129 923 41 VAL N N 121.2345 0.3 1 130 924 42 SER CA C 58.561 0.3 1 131 924 42 SER CB C 62.335 0.3 1 132 925 43 SER H H 7.2996 0.02 1 133 925 43 SER CA C 56.485 0.3 1 134 925 43 SER CB C 64.347 0.3 1 135 925 43 SER N N 113.6225 0.3 1 136 926 44 ILE H H 8.8256 0.02 1 137 926 44 ILE CA C 59.318 0.3 1 138 926 44 ILE CB C 40.007 0.3 1 139 926 44 ILE N N 119.3325 0.3 1 140 927 45 SER CA C 56.782 0.3 1 141 927 45 SER CB C 63.593 0.3 1 142 928 46 TYR H H 9.2826 0.02 1 143 928 46 TYR CA C 55.711 0.3 1 144 928 46 TYR CB C 41.982 0.3 1 145 928 46 TYR N N 129.8675 0.3 1 146 929 47 THR H H 8.7696 0.02 1 147 929 47 THR CA C 60.259 0.3 1 148 929 47 THR CB C 69.756 0.3 1 149 929 47 THR N N 125.4035 0.3 1 150 930 48 SER H H 8.6996 0.02 1 151 930 48 SER CA C 56.273 0.3 1 152 930 48 SER CB C 62.272 0.3 1 153 930 48 SER N N 122.2715 0.3 1 154 932 50 ASN CA C 52.024 0.3 1 155 932 50 ASN CB C 37.084 0.3 1 156 933 51 GLY H H 8.1806 0.02 1 157 933 51 GLY CA C 45.031 0.3 1 158 933 51 GLY N N 108.0935 0.3 1 159 934 52 GLN H H 7.5856 0.02 1 160 934 52 GLN CA C 54.881 0.3 1 161 934 52 GLN CB C 28.056 0.3 1 162 934 52 GLN N N 120.5715 0.3 1 163 935 53 THR H H 9.2606 0.02 1 164 935 53 THR CA C 61.848 0.3 1 165 935 53 THR CB C 69.411 0.3 1 166 935 53 THR N N 128.0075 0.3 1 167 936 54 THR H H 9.6586 0.02 1 168 936 54 THR CA C 61.53 0.3 1 169 936 54 THR CB C 71.084 0.3 1 170 936 54 THR N N 125.3465 0.3 1 171 937 55 ARG H H 8.4506 0.02 1 172 937 55 ARG CA C 53.826 0.3 1 173 937 55 ARG CB C 30.572 0.3 1 174 937 55 ARG N N 126.0195 0.3 1 175 938 56 TYR H H 8.7606 0.02 1 176 938 56 TYR CA C 56.837 0.3 1 177 938 56 TYR CB C 40.699 0.3 1 178 938 56 TYR N N 122.8175 0.3 1 179 939 57 GLY H H 9.2066 0.02 1 180 939 57 GLY CA C 43.452 0.3 1 181 939 57 GLY N N 112.2425 0.3 1 182 940 58 GLU H H 8.1756 0.02 1 183 940 58 GLU CA C 57.377 0.3 1 184 940 58 GLU CB C 28.811 0.3 1 185 940 58 GLU N N 118.2275 0.3 1 186 941 59 ASN H H 8.5906 0.02 1 187 941 59 ASN CA C 52.649 0.3 1 188 941 59 ASN CB C 37.491 0.3 1 189 941 59 ASN N N 115.5225 0.3 1 190 942 60 GLU H H 7.3866 0.02 1 191 942 60 GLU CA C 54.881 0.3 1 192 942 60 GLU CB C 30.824 0.3 1 193 942 60 GLU N N 119.0095 0.3 1 194 943 61 LYS H H 8.6666 0.02 1 195 943 61 LYS CA C 56.01 0.3 1 196 943 61 LYS CB C 30.824 0.3 1 197 943 61 LYS N N 124.2885 0.3 1 198 944 62 LEU H H 8.7526 0.02 1 199 944 62 LEU CA C 51.229 0.3 1 200 944 62 LEU CB C 41.076 0.3 1 201 944 62 LEU N N 129.1175 0.3 1 202 946 64 ASP CA C 57.551 0.3 1 203 946 64 ASP CB C 38.875 0.3 1 204 947 65 TYR H H 7.8406 0.02 1 205 947 65 TYR CA C 58.566 0.3 1 206 947 65 TYR CB C 35.352 0.3 1 207 947 65 TYR N N 114.6685 0.3 1 208 948 66 ILE H H 6.1466 0.02 1 209 948 66 ILE CA C 61.837 0.3 1 210 948 66 ILE CB C 34.598 0.3 1 211 948 66 ILE N N 121.7025 0.3 1 212 949 67 LYS H H 7.5866 0.02 1 213 949 67 LYS CA C 60.634 0.3 1 214 949 67 LYS CB C 29.943 0.3 1 215 949 67 LYS N N 121.4055 0.3 1 216 950 68 GLN H H 8.1466 0.02 1 217 950 68 GLN CA C 58.265 0.3 1 218 950 68 GLN CB C 27.05 0.3 1 219 950 68 GLN N N 116.3455 0.3 1 220 951 69 LYS H H 7.0096 0.02 1 221 951 69 LYS CA C 58.716 0.3 1 222 951 69 LYS CB C 30.887 0.3 1 223 951 69 LYS N N 119.8745 0.3 1 224 952 70 LEU H H 8.3556 0.02 1 225 952 70 LEU CA C 56.912 0.3 1 226 952 70 LEU CB C 40.824 0.3 1 227 952 70 LEU N N 120.8695 0.3 1 228 953 71 GLN H H 8.2606 0.02 1 229 953 71 GLN CA C 58.265 0.3 1 230 953 71 GLN CB C 26.987 0.3 1 231 953 71 GLN N N 120.1625 0.3 1 232 954 72 CYS H H 7.7936 0.02 1 233 954 72 CYS CA C 61.499 0.3 1 234 954 72 CYS CB C 25.666 0.3 1 235 954 72 CYS N N 118.8415 0.3 1 236 955 73 LEU H H 8.1896 0.02 1 237 955 73 LEU CA C 57.438 0.3 1 238 955 73 LEU CB C 40.132 0.3 1 239 955 73 LEU N N 120.6695 0.3 1 240 956 74 SER H H 8.3486 0.02 1 241 956 74 SER CA C 61.649 0.3 1 242 956 74 SER N N 114.2025 0.3 1 243 957 75 SER H H 7.6346 0.02 1 244 957 75 SER CA C 60.825 0.3 1 245 957 75 SER CB C 62.209 0.3 1 246 957 75 SER N N 114.4285 0.3 1 247 958 76 ILE H H 7.7836 0.02 1 248 958 76 ILE CA C 63.718 0.3 1 249 958 76 ILE CB C 37.051 0.3 1 250 958 76 ILE N N 122.5625 0.3 1 251 959 77 LEU H H 8.1306 0.02 1 252 959 77 LEU CA C 57.465 0.3 1 253 959 77 LEU CB C 39.719 0.3 1 254 959 77 LEU N N 117.9265 0.3 1 255 960 78 LEU H H 7.4796 0.02 1 256 960 78 LEU CA C 56.461 0.3 1 257 960 78 LEU CB C 40.007 0.3 1 258 960 78 LEU N N 117.2955 0.3 1 259 961 79 MET H H 7.7946 0.02 1 260 961 79 MET CA C 56.874 0.3 1 261 961 79 MET CB C 30.883 0.3 1 262 961 79 MET N N 118.1795 0.3 1 263 962 80 PHE H H 7.5326 0.02 1 264 962 80 PHE CA C 58.491 0.3 1 265 962 80 PHE CB C 38.434 0.3 1 266 962 80 PHE N N 116.3225 0.3 1 267 963 81 SER H H 7.6266 0.02 1 268 963 81 SER CA C 58.247 0.3 1 269 963 81 SER CB C 63.215 0.3 1 270 963 81 SER N N 113.9295 0.3 1 271 964 82 ASN H H 8.1156 0.02 1 272 964 82 ASN CA C 50.934 0.3 1 273 964 82 ASN CB C 38.057 0.3 1 274 964 82 ASN N N 122.0125 0.3 1 275 965 83 PRO CA C 62.739 0.3 1 276 965 83 PRO CB C 30.95 0.3 1 277 966 84 THR H H 8.1996 0.02 1 278 966 84 THR CA C 59.055 0.3 1 279 966 84 THR CB C 69.065 0.3 1 280 966 84 THR N N 116.8515 0.3 1 281 967 85 PRO CA C 62.664 0.3 1 282 967 85 PRO CB C 30.95 0.3 1 283 968 86 ASN H H 8.2976 0.02 1 284 968 86 ASN CA C 52.475 0.3 1 285 968 86 ASN CB C 38.057 0.3 1 286 968 86 ASN N N 118.5125 0.3 1 287 969 87 PHE H H 8.0276 0.02 1 288 969 87 PHE CA C 57.137 0.3 1 289 969 87 PHE CB C 38.497 0.3 1 290 969 87 PHE N N 121.0315 0.3 1 291 970 88 HIS H H 7.7596 0.02 1 292 970 88 HIS CA C 56.874 0.3 1 293 970 88 HIS CB C 29.88 0.3 1 294 970 88 HIS N N 125.4885 0.3 1 stop_ save_