data_17313 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; drosophila CstF-50 (1-92) ; _BMRB_accession_number 17313 _BMRB_flat_file_name bmr17313.str _Entry_type original _Submission_date 2010-11-22 _Accession_date 2010-11-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shifts for the N-terminal 92 residues of the drosophila CstF-50 protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mackereth Cameron D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 82 "13C chemical shifts" 259 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-16 update BMRB 'update entry citation' 2011-01-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Hexameric architecture of CstF supported by CstF-50 homodimerization domain structure.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21233223 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moreno-Morcillo Maria . . 2 Minvielle-Sebastia Lionel . . 3 Mackereth Cameron . . 4 Fribourg Sebastien . . stop_ _Journal_abbreviation RNA _Journal_name_full 'RNA (New York, N.Y.)' _Journal_volume 17 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 412 _Page_last 418 _Year 2011 _Details . loop_ _Keyword crystallography CstF CstF-50 homodimerization "mRNA 3' end maturation" stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name dCstF-50(1-92) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label dCstF-50 $dCstF-50 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dCstF-50 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dCstF-50 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function "pre-mRNA 3' end processing" stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; MRDEILDPSNLVKNREILYR LMISQLMYDGLEKFAMELSM LVKADQCAPSERLLHVMIAG MQTLSDKDKTNSDDVLPGID LEFEPEASALAPGS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 ASP 4 GLU 5 ILE 6 LEU 7 ASP 8 PRO 9 SER 10 ASN 11 LEU 12 VAL 13 LYS 14 ASN 15 ARG 16 GLU 17 ILE 18 LEU 19 TYR 20 ARG 21 LEU 22 MET 23 ILE 24 SER 25 GLN 26 LEU 27 MET 28 TYR 29 ASP 30 GLY 31 LEU 32 GLU 33 LYS 34 PHE 35 ALA 36 MET 37 GLU 38 LEU 39 SER 40 MET 41 LEU 42 VAL 43 LYS 44 ALA 45 ASP 46 GLN 47 CYS 48 ALA 49 PRO 50 SER 51 GLU 52 ARG 53 LEU 54 LEU 55 HIS 56 VAL 57 MET 58 ILE 59 ALA 60 GLY 61 MET 62 GLN 63 THR 64 LEU 65 SER 66 ASP 67 LYS 68 ASP 69 LYS 70 THR 71 ASN 72 SER 73 ASP 74 ASP 75 VAL 76 LEU 77 PRO 78 GLY 79 ILE 80 ASP 81 LEU 82 GLU 83 PHE 84 GLU 85 PRO 86 GLU 87 ALA 88 SER 89 ALA 90 LEU 91 ALA 92 PRO 93 GLY 94 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-11 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 17308 dCstF-50 69.15 68 100.00 100.00 1.37e-37 PDB 2XZ2 "Crystal Structure Of Cstf-50 Homodimerization Domain" 69.15 66 100.00 100.00 1.41e-37 GB AAF57183 "CstF-50 [Drosophila melanogaster]" 97.87 424 100.00 100.00 1.48e-56 GB AAM11155 "LD24780p [Drosophila melanogaster]" 97.87 424 100.00 100.00 1.48e-56 GB ACL84511 "CstF-50-PA, partial [synthetic construct]" 97.87 424 100.00 100.00 1.48e-56 GB ACL89448 "CstF-50-PA [synthetic construct]" 97.87 424 100.00 100.00 1.48e-56 GB EDV52931 "uncharacterized protein Dere_GG11859 [Drosophila erecta]" 97.87 424 98.91 98.91 4.06e-55 REF NP_651883 "CstF-50 [Drosophila melanogaster]" 97.87 424 100.00 100.00 1.48e-56 REF XP_001981061 "GG11859 [Drosophila erecta]" 97.87 424 98.91 98.91 4.06e-55 REF XP_002043730 "GM16423 [Drosophila sechellia]" 97.87 424 98.91 98.91 3.85e-55 REF XP_002105645 "GD16348 [Drosophila simulans]" 97.87 424 100.00 100.00 1.48e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dCstF-50 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $dCstF-50 'recombinant technology' . Escherichia coli . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'in PBS (phosphate buffered saline)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $dCstF-50 . mM 0.7 2 '[U-99% 13C; U-99% 15N]' KH2PO4 1.05 mM . . 'natural abundance' Na2HPO4 3 mM . . 'natural abundance' NaCl 154 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details '5 mm PATXI 1H-13C/15N/D Z-GRD' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'phosphate buffered saline (PBS)' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 170 . mM pH 7.4 . pH pressure 1 . atm temperature 310 . 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 . indirect . . . 0.251449530 water H 1 protons ppm 4.77 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name dCstF-50 _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 3 3 ASP C C 175.904 0.2 1 2 3 3 ASP CA C 54.761 0.2 1 3 3 3 ASP CB C 41.306 0.2 1 4 4 4 GLU H H 8.071 0.02 1 5 4 4 GLU C C 176.055 0.2 1 6 4 4 GLU CA C 56.408 0.2 1 7 4 4 GLU CB C 30.986 0.2 1 8 4 4 GLU N N 120.164 0.2 1 9 5 5 ILE H H 8.136 0.02 1 10 5 5 ILE C C 175.882 0.2 1 11 5 5 ILE CA C 60.800 0.2 1 12 5 5 ILE CB C 38.233 0.2 1 13 5 5 ILE N N 121.280 0.2 1 14 6 6 LEU H H 8.225 0.02 1 15 6 6 LEU C C 176.764 0.2 1 16 6 6 LEU CA C 55.170 0.2 1 17 6 6 LEU CB C 42.663 0.2 1 18 6 6 LEU N N 126.412 0.2 1 19 7 7 ASP H H 8.418 0.02 1 20 7 7 ASP N N 121.801 0.2 1 21 8 8 PRO C C 177.112 0.2 1 22 8 8 PRO CA C 64.862 0.2 1 23 8 8 PRO CB C 32.432 0.2 1 24 9 9 SER H H 8.277 0.02 1 25 9 9 SER C C 174.889 0.2 1 26 9 9 SER CA C 59.748 0.2 1 27 9 9 SER CB C 63.873 0.2 1 28 9 9 SER N N 112.270 0.2 1 29 10 10 ASN H H 7.701 0.02 1 30 10 10 ASN C C 175.565 0.2 1 31 10 10 ASN CA C 52.586 0.2 1 32 10 10 ASN CB C 37.539 0.2 1 33 10 10 ASN N N 120.844 0.2 1 34 11 11 LEU H H 8.127 0.02 1 35 11 11 LEU C C 178.630 0.2 1 36 11 11 LEU CA C 58.476 0.2 1 37 11 11 LEU CB C 41.620 0.2 1 38 11 11 LEU N N 123.745 0.2 1 39 12 12 VAL H H 7.877 0.02 1 40 12 12 VAL C C 178.962 0.2 1 41 12 12 VAL CA C 66.546 0.2 1 42 12 12 VAL CB C 31.877 0.2 1 43 12 12 VAL N N 118.678 0.2 1 44 13 13 LYS H H 7.540 0.02 1 45 13 13 LYS C C 179.210 0.2 1 46 13 13 LYS CA C 58.069 0.2 1 47 13 13 LYS CB C 32.109 0.2 1 48 13 13 LYS N N 120.505 0.2 1 49 14 14 ASN H H 8.214 0.02 1 50 14 14 ASN C C 177.166 0.2 1 51 14 14 ASN CA C 56.240 0.2 1 52 14 14 ASN CB C 38.047 0.2 1 53 14 14 ASN N N 117.103 0.2 1 54 15 15 ARG H H 8.413 0.02 1 55 15 15 ARG C C 177.851 0.2 1 56 15 15 ARG CA C 60.350 0.2 1 57 15 15 ARG CB C 30.533 0.2 1 58 15 15 ARG N N 122.213 0.2 1 59 16 16 GLU H H 7.629 0.02 1 60 16 16 GLU C C 179.935 0.2 1 61 16 16 GLU CA C 60.357 0.2 1 62 16 16 GLU CB C 29.386 0.2 1 63 16 16 GLU N N 120.152 0.2 1 64 17 17 ILE H H 7.709 0.02 1 65 17 17 ILE C C 177.813 0.2 1 66 17 17 ILE CA C 65.412 0.2 1 67 17 17 ILE CB C 38.332 0.2 1 68 17 17 ILE N N 119.753 0.2 1 69 18 18 LEU H H 8.245 0.02 1 70 18 18 LEU C C 178.867 0.2 1 71 18 18 LEU CA C 58.562 0.2 1 72 18 18 LEU CB C 40.427 0.2 1 73 18 18 LEU N N 120.169 0.2 1 74 19 19 TYR H H 8.544 0.02 1 75 19 19 TYR C C 178.754 0.2 1 76 19 19 TYR CA C 63.969 0.2 1 77 19 19 TYR CB C 38.042 0.2 1 78 19 19 TYR N N 117.773 0.2 1 79 20 20 ARG H H 7.777 0.02 1 80 20 20 ARG C C 179.379 0.2 1 81 20 20 ARG CA C 60.897 0.2 1 82 20 20 ARG CB C 30.119 0.2 1 83 20 20 ARG N N 119.392 0.2 1 84 21 21 LEU H H 8.514 0.02 1 85 21 21 LEU C C 180.836 0.2 1 86 21 21 LEU CA C 58.215 0.2 1 87 21 21 LEU CB C 42.632 0.2 1 88 21 21 LEU N N 119.768 0.2 1 89 22 22 MET H H 9.114 0.02 1 90 22 22 MET C C 177.663 0.2 1 91 22 22 MET CA C 60.639 0.2 1 92 22 22 MET CB C 34.376 0.2 1 93 22 22 MET N N 121.670 0.2 1 94 23 23 ILE H H 8.474 0.02 1 95 23 23 ILE C C 178.197 0.2 1 96 23 23 ILE CA C 66.887 0.2 1 97 23 23 ILE CB C 38.354 0.2 1 98 23 23 ILE N N 121.115 0.2 1 99 24 24 SER H H 8.354 0.02 1 100 24 24 SER CA C 63.839 0.2 1 101 24 24 SER N N 115.067 0.2 1 102 25 25 GLN C C 177.724 0.2 1 103 25 25 GLN CA C 58.551 0.2 1 104 25 25 GLN CB C 28.790 0.2 1 105 26 26 LEU H H 8.502 0.02 1 106 26 26 LEU C C 179.784 0.2 1 107 26 26 LEU CA C 58.391 0.2 1 108 26 26 LEU CB C 42.888 0.2 1 109 26 26 LEU N N 119.271 0.2 1 110 27 27 MET H H 8.367 0.02 1 111 27 27 MET C C 179.762 0.2 1 112 27 27 MET CA C 59.694 0.2 1 113 27 27 MET CB C 33.720 0.2 1 114 27 27 MET N N 115.752 0.2 1 115 28 28 TYR H H 8.454 0.02 1 116 28 28 TYR C C 177.218 0.2 1 117 28 28 TYR CA C 62.494 0.2 1 118 28 28 TYR CB C 38.783 0.2 1 119 28 28 TYR N N 123.517 0.2 1 120 29 29 ASP H H 8.298 0.02 1 121 29 29 ASP C C 176.225 0.2 1 122 29 29 ASP CA C 54.987 0.2 1 123 29 29 ASP CB C 40.373 0.2 1 124 29 29 ASP N N 116.642 0.2 1 125 30 30 GLY H H 7.657 0.02 1 126 30 30 GLY C C 175.440 0.2 1 127 30 30 GLY CA C 46.092 0.2 1 128 30 30 GLY N N 106.826 0.2 1 129 31 31 LEU H H 8.444 0.02 1 130 31 31 LEU C C 175.448 0.2 1 131 31 31 LEU CA C 53.129 0.2 1 132 31 31 LEU CB C 40.013 0.2 1 133 31 31 LEU N N 125.790 0.2 1 134 32 32 GLU H H 8.069 0.02 1 135 32 32 GLU N N 120.294 0.2 1 136 33 33 LYS C C 179.412 0.2 1 137 33 33 LYS CA C 60.071 0.2 1 138 33 33 LYS CB C 31.914 0.2 1 139 34 34 PHE H H 7.750 0.02 1 140 34 34 PHE C C 177.533 0.2 1 141 34 34 PHE CA C 61.352 0.2 1 142 34 34 PHE CB C 39.442 0.2 1 143 34 34 PHE N N 119.338 0.2 1 144 35 35 ALA H H 8.540 0.02 1 145 35 35 ALA C C 179.783 0.2 1 146 35 35 ALA CA C 55.607 0.2 1 147 35 35 ALA CB C 19.833 0.2 1 148 35 35 ALA N N 121.144 0.2 1 149 36 36 MET H H 8.464 0.02 1 150 36 36 MET C C 179.414 0.2 1 151 36 36 MET CA C 58.075 0.2 1 152 36 36 MET CB C 31.913 0.2 1 153 36 36 MET N N 116.934 0.2 1 154 37 37 GLU H H 7.999 0.02 1 155 37 37 GLU C C 179.552 0.2 1 156 37 37 GLU CA C 59.895 0.2 1 157 37 37 GLU CB C 29.397 0.2 1 158 37 37 GLU N N 121.798 0.2 1 159 38 38 LEU H H 8.354 0.02 1 160 38 38 LEU C C 178.325 0.2 1 161 38 38 LEU CA C 57.757 0.2 1 162 38 38 LEU CB C 41.089 0.2 1 163 38 38 LEU N N 121.016 0.2 1 164 39 39 SER H H 8.412 0.02 1 165 39 39 SER C C 176.872 0.2 1 166 39 39 SER CA C 62.167 0.2 1 167 39 39 SER CB C 62.977 0.2 1 168 39 39 SER N N 113.254 0.2 1 169 40 40 MET H H 7.672 0.02 1 170 40 40 MET C C 178.781 0.2 1 171 40 40 MET CA C 58.081 0.2 1 172 40 40 MET CB C 32.505 0.2 1 173 40 40 MET N N 118.851 0.2 1 174 41 41 LEU H H 7.830 0.02 1 175 41 41 LEU C C 179.296 0.2 1 176 41 41 LEU CA C 57.942 0.2 1 177 41 41 LEU CB C 42.668 0.2 1 178 41 41 LEU N N 121.055 0.2 1 179 42 42 VAL H H 7.692 0.02 1 180 42 42 VAL C C 175.180 0.2 1 181 42 42 VAL CA C 60.739 0.2 1 182 42 42 VAL CB C 31.607 0.2 1 183 42 42 VAL N N 108.613 0.2 1 184 43 43 LYS H H 7.696 0.02 1 185 43 43 LYS C C 175.777 0.2 1 186 43 43 LYS CA C 56.961 0.2 1 187 43 43 LYS CB C 28.873 0.2 1 188 43 43 LYS N N 120.422 0.2 1 189 44 44 ALA H H 7.948 0.02 1 190 44 44 ALA C C 177.345 0.2 1 191 44 44 ALA CA C 51.637 0.2 1 192 44 44 ALA CB C 20.932 0.2 1 193 44 44 ALA N N 122.157 0.2 1 194 45 45 ASP H H 8.273 0.02 1 195 45 45 ASP C C 175.722 0.2 1 196 45 45 ASP CA C 53.761 0.2 1 197 45 45 ASP CB C 42.080 0.2 1 198 45 45 ASP N N 120.634 0.2 1 199 46 46 GLN H H 8.437 0.02 1 200 46 46 GLN C C 176.107 0.2 1 201 46 46 GLN CA C 57.041 0.2 1 202 46 46 GLN CB C 28.494 0.2 1 203 46 46 GLN N N 117.944 0.2 1 204 47 47 CYS H H 8.235 0.02 1 205 47 47 CYS C C 172.909 0.2 1 206 47 47 CYS CA C 58.701 0.2 1 207 47 47 CYS CB C 30.032 0.2 1 208 47 47 CYS N N 121.301 0.2 1 209 48 48 ALA H H 8.441 0.02 1 210 48 48 ALA C C 177.847 0.2 1 211 48 48 ALA CA C 49.724 0.2 1 212 48 48 ALA CB C 19.267 0.2 1 213 48 48 ALA N N 125.617 0.2 1 214 49 49 PRO C C 177.047 0.2 1 215 49 49 PRO CA C 63.321 0.2 1 216 49 49 PRO CB C 31.946 0.2 1 217 50 50 SER H H 7.953 0.02 1 218 50 50 SER C C 172.545 0.2 1 219 50 50 SER CA C 58.602 0.2 1 220 50 50 SER CB C 64.984 0.2 1 221 50 50 SER N N 119.769 0.2 1 222 51 51 GLU H H 8.183 0.02 1 223 51 51 GLU C C 175.291 0.2 1 224 51 51 GLU CA C 53.613 0.2 1 225 51 51 GLU CB C 29.165 0.2 1 226 51 51 GLU N N 124.829 0.2 1 227 52 52 ARG H H 7.807 0.02 1 228 52 52 ARG C C 178.127 0.2 1 229 52 52 ARG CA C 59.488 0.2 1 230 52 52 ARG CB C 30.142 0.2 1 231 52 52 ARG N N 120.155 0.2 1 232 53 53 LEU H H 9.236 0.02 1 233 53 53 LEU C C 177.071 0.2 1 234 53 53 LEU CA C 58.056 0.2 1 235 53 53 LEU CB C 39.795 0.2 1 236 53 53 LEU N N 117.325 0.2 1 237 54 54 LEU H H 7.249 0.02 1 238 54 54 LEU C C 177.418 0.2 1 239 54 54 LEU CA C 58.732 0.2 1 240 54 54 LEU CB C 41.427 0.2 1 241 54 54 LEU N N 119.337 0.2 1 242 55 55 HIS H H 7.114 0.02 1 243 55 55 HIS C C 179.680 0.2 1 244 55 55 HIS CA C 59.793 0.2 1 245 55 55 HIS CB C 30.888 0.2 1 246 55 55 HIS N N 116.855 0.2 1 247 56 56 VAL H H 8.980 0.02 1 248 56 56 VAL C C 177.685 0.2 1 249 56 56 VAL CA C 66.325 0.2 1 250 56 56 VAL CB C 31.780 0.2 1 251 56 56 VAL N N 121.903 0.2 1 252 57 57 MET H H 8.953 0.02 1 253 57 57 MET C C 177.998 0.2 1 254 57 57 MET CA C 59.284 0.2 1 255 57 57 MET CB C 32.308 0.2 1 256 57 57 MET N N 121.924 0.2 1 257 58 58 ILE H H 8.121 0.02 1 258 58 58 ILE C C 178.259 0.2 1 259 58 58 ILE CA C 66.225 0.2 1 260 58 58 ILE CB C 38.650 0.2 1 261 58 58 ILE N N 119.995 0.2 1 262 59 59 ALA H H 7.649 0.02 1 263 59 59 ALA C C 181.013 0.2 1 264 59 59 ALA CA C 54.852 0.2 1 265 59 59 ALA CB C 18.465 0.2 1 266 59 59 ALA N N 120.439 0.2 1 267 60 60 GLY H H 8.971 0.02 1 268 60 60 GLY C C 175.654 0.2 1 269 60 60 GLY CA C 47.593 0.2 1 270 60 60 GLY N N 108.090 0.2 1 271 61 61 MET H H 8.767 0.02 1 272 61 61 MET C C 178.997 0.2 1 273 61 61 MET CA C 58.765 0.2 1 274 61 61 MET CB C 32.538 0.2 1 275 61 61 MET N N 120.967 0.2 1 276 62 62 GLN H H 7.793 0.02 1 277 62 62 GLN C C 178.160 0.2 1 278 62 62 GLN CA C 58.732 0.2 1 279 62 62 GLN CB C 29.103 0.2 1 280 62 62 GLN N N 118.198 0.2 1 281 63 63 THR H H 7.898 0.02 1 282 63 63 THR C C 176.000 0.2 1 283 63 63 THR CA C 65.334 0.2 1 284 63 63 THR CB C 69.243 0.2 1 285 63 63 THR N N 115.262 0.2 1 286 64 64 LEU H H 7.998 0.02 1 287 64 64 LEU C C 178.837 0.2 1 288 64 64 LEU CA C 56.419 0.2 1 289 64 64 LEU CB C 41.831 0.2 1 290 64 64 LEU N N 122.569 0.2 1 291 65 65 SER H H 7.854 0.02 1 292 65 65 SER C C 175.204 0.2 1 293 65 65 SER CA C 59.811 0.2 1 294 65 65 SER CB C 63.772 0.2 1 295 65 65 SER N N 115.383 0.2 1 296 66 66 ASP H H 8.078 0.02 1 297 66 66 ASP C C 175.360 0.2 1 298 66 66 ASP CA C 55.296 0.2 1 299 66 66 ASP CB C 41.241 0.2 1 300 66 66 ASP N N 122.042 0.2 1 301 67 67 LYS H H 7.974 0.02 1 302 67 67 LYS CA C 57.325 0.2 1 303 67 67 LYS CB C 32.940 0.2 1 304 67 67 LYS N N 120.513 0.2 1 305 68 68 ASP H H 8.169 0.02 1 306 68 68 ASP CA C 54.929 0.2 1 307 68 68 ASP N N 120.083 0.2 1 308 69 69 LYS C C 177.118 0.2 1 309 69 69 LYS CA C 56.678 0.2 1 310 69 69 LYS CB C 32.899 0.2 1 311 70 70 THR H H 8.135 0.02 1 312 70 70 THR C C 174.212 0.2 1 313 70 70 THR CA C 62.128 0.2 1 314 70 70 THR CB C 70.030 0.2 1 315 70 70 THR N N 114.483 0.2 1 316 71 71 ASN H H 8.013 0.02 1 317 71 71 ASN CA C 54.951 0.2 1 318 71 71 ASN CB C 41.009 0.2 1 319 71 71 ASN N N 126.354 0.2 1 320 72 72 SER C C 174.523 0.2 1 321 72 72 SER CA C 58.633 0.2 1 322 72 72 SER CB C 64.001 0.2 1 323 73 73 ASP H H 8.337 0.02 1 324 73 73 ASP C C 176.112 0.2 1 325 73 73 ASP CA C 54.833 0.2 1 326 73 73 ASP CB C 41.284 0.2 1 327 73 73 ASP N N 122.220 0.2 1 328 74 74 ASP H H 8.167 0.02 1 329 74 74 ASP C C 176.096 0.2 1 330 74 74 ASP CA C 54.627 0.2 1 331 74 74 ASP CB C 41.343 0.2 1 332 74 74 ASP N N 120.281 0.2 1 333 75 75 VAL H H 7.897 0.02 1 334 75 75 VAL C C 175.946 0.2 1 335 75 75 VAL CA C 62.197 0.2 1 336 75 75 VAL CB C 32.888 0.2 1 337 75 75 VAL N N 119.691 0.2 1 338 76 76 LEU H H 8.256 0.02 1 339 76 76 LEU C C 175.260 0.2 1 340 76 76 LEU CA C 52.955 0.2 1 341 76 76 LEU CB C 42.006 0.2 1 342 76 76 LEU N N 127.379 0.2 1 343 77 77 PRO C C 177.607 0.2 1 344 77 77 PRO CA C 63.343 0.2 1 345 77 77 PRO CB C 32.190 0.2 1 346 78 78 GLY H H 8.327 0.02 1 347 78 78 GLY C C 174.209 0.2 1 348 78 78 GLY CA C 45.461 0.2 1 349 78 78 GLY N N 108.988 0.2 1 350 79 79 ILE H H 7.821 0.02 1 351 79 79 ILE C C 175.740 0.2 1 352 79 79 ILE CA C 61.058 0.2 1 353 79 79 ILE CB C 39.219 0.2 1 354 79 79 ILE N N 119.474 0.2 1 355 80 80 ASP H H 8.359 0.02 1 356 80 80 ASP C C 176.116 0.2 1 357 80 80 ASP CA C 54.363 0.2 1 358 80 80 ASP CB C 41.346 0.2 1 359 80 80 ASP N N 124.036 0.2 1 360 81 81 LEU H H 8.083 0.02 1 361 81 81 LEU C C 177.324 0.2 1 362 81 81 LEU CA C 55.275 0.2 1 363 81 81 LEU CB C 42.717 0.2 1 364 81 81 LEU N N 122.914 0.2 1 365 82 82 GLU H H 8.275 0.02 1 366 82 82 GLU C C 176.043 0.2 1 367 82 82 GLU CA C 56.643 0.2 1 368 82 82 GLU CB C 30.450 0.2 1 369 82 82 GLU N N 121.157 0.2 1 370 83 83 PHE H H 8.004 0.02 1 371 83 83 PHE C C 175.166 0.2 1 372 83 83 PHE CA C 57.446 0.2 1 373 83 83 PHE CB C 40.154 0.2 1 374 83 83 PHE N N 120.798 0.2 1 375 84 84 GLU H H 8.222 0.02 1 376 84 84 GLU C C 174.304 0.2 1 377 84 84 GLU CA C 54.087 0.2 1 378 84 84 GLU CB C 30.366 0.2 1 379 84 84 GLU N N 124.610 0.2 1 380 85 85 PRO C C 177.260 0.2 1 381 85 85 PRO CA C 63.402 0.2 1 382 85 85 PRO CB C 32.221 0.2 1 383 86 86 GLU H H 8.507 0.02 1 384 86 86 GLU C C 176.801 0.2 1 385 86 86 GLU CA C 56.904 0.2 1 386 86 86 GLU CB C 30.203 0.2 1 387 86 86 GLU N N 120.798 0.2 1 388 87 87 ALA H H 8.267 0.02 1 389 87 87 ALA C C 178.210 0.2 1 390 87 87 ALA CA C 52.976 0.2 1 391 87 87 ALA CB C 19.317 0.2 1 392 87 87 ALA N N 125.279 0.2 1 393 88 88 SER H H 8.191 0.02 1 394 88 88 SER C C 174.648 0.2 1 395 88 88 SER CA C 58.634 0.2 1 396 88 88 SER CB C 63.902 0.2 1 397 88 88 SER N N 114.789 0.2 1 398 89 89 ALA H H 8.157 0.02 1 399 89 89 ALA C C 177.657 0.2 1 400 89 89 ALA CA C 52.605 0.2 1 401 89 89 ALA CB C 19.407 0.2 1 402 89 89 ALA N N 125.821 0.2 1 403 90 90 LEU H H 7.983 0.02 1 404 90 90 LEU C C 176.908 0.2 1 405 90 90 LEU CA C 54.921 0.2 1 406 90 90 LEU CB C 42.574 0.2 1 407 90 90 LEU N N 120.950 0.2 1 408 91 91 ALA H H 8.130 0.02 1 409 91 91 ALA C C 175.659 0.2 1 410 91 91 ALA CA C 50.472 0.2 1 411 91 91 ALA CB C 18.422 0.2 1 412 91 91 ALA N N 126.127 0.2 1 413 92 92 PRO C C 176.925 0.2 1 414 92 92 PRO CA C 63.489 0.2 1 415 92 92 PRO CB C 32.093 0.2 1 416 93 93 GLY H H 8.462 0.02 1 417 93 93 GLY C C 173.779 0.2 1 418 93 93 GLY CA C 45.425 0.2 1 419 93 93 GLY N N 110.306 0.2 1 420 94 94 SER H H 7.810 0.02 1 421 94 94 SER C C 173.755 0.2 1 422 94 94 SER CA C 60.130 0.2 1 423 94 94 SER N N 120.996 0.2 1 stop_ save_