data_17308 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; drosophila CstF-50 (1-65) ; _BMRB_accession_number 17308 _BMRB_flat_file_name bmr17308.str _Entry_type original _Submission_date 2010-11-19 _Accession_date 2010-11-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shifts and 15N relaxation data for the N-terminal 65 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 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 117 "13C chemical shifts" 198 "15N chemical shifts" 65 "T1 relaxation values" 55 "T2 relaxation values" 52 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(1-65) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $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 68 _Mol_residue_sequence ; MRDEILDPSNLVKNREILYR LMISQLMYDGLEKFAMELSM LVKADQCAPSERLLHVMIAG MQTLSLGS ; 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 LEU 67 GLY 68 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 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 17313 dCstF-50 95.59 94 100.00 100.00 9.50e-38 PDB 2XZ2 "Crystal Structure Of Cstf-50 Homodimerization Domain" 95.59 66 100.00 100.00 6.67e-38 GB AAF57183 "CstF-50 [Drosophila melanogaster]" 95.59 424 100.00 100.00 1.44e-36 GB AAM11155 "LD24780p [Drosophila melanogaster]" 95.59 424 100.00 100.00 1.44e-36 GB ACL84511 "CstF-50-PA, partial [synthetic construct]" 95.59 424 100.00 100.00 1.44e-36 GB ACL89448 "CstF-50-PA [synthetic construct]" 95.59 424 100.00 100.00 1.44e-36 GB ALC45969 "CstF-50 [Drosophila busckii]" 91.18 424 98.39 100.00 3.03e-34 REF NP_651883 "CstF-50 [Drosophila melanogaster]" 95.59 424 100.00 100.00 1.44e-36 REF XP_001358995 "GA15331 [Drosophila pseudoobscura pseudoobscura]" 95.59 424 96.92 100.00 1.26e-35 REF XP_001964574 "GF23256 [Drosophila ananassae]" 94.12 424 100.00 100.00 5.75e-36 REF XP_001981061 "GG11859 [Drosophila erecta]" 95.59 424 100.00 100.00 1.44e-36 REF XP_002013189 "GL23528 [Drosophila persimilis]" 95.59 424 96.92 100.00 1.26e-35 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 ; 50 mM d-Tris, pH 7.5 150 mM NaCl 2 mM DTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dCstF-50 2 mM '[U-99% 13C; U-99% 15N]' d-Tris 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 2 mM '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_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_hetnoe_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC hetnoe' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T1_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T1' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T2_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T2' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 50 mM Tris, pH 7.5 150 mM NaCl ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 7.5 . pH pressure 1 . atm temperature 295 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details ; 50 mM Tris, pH 7.5 150 mM NaCl ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNHA' '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 protein _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 1 1 MET C C 176.161 0.2 1 2 1 1 MET CA C 55.741 0.2 1 3 1 1 MET CB C 32.74 0.2 1 4 2 2 ARG H H 8.629 0.02 1 5 2 2 ARG C C 176.097 0.2 1 6 2 2 ARG CA C 56.624 0.2 1 7 2 2 ARG CB C 29.907 0.2 1 8 2 2 ARG N N 122.162 0.2 1 9 3 3 ASP H H 8.331 0.02 1 10 3 3 ASP HA H 4.612 0.02 1 11 3 3 ASP C C 175.527 0.2 1 12 3 3 ASP CA C 54.615 0.2 1 13 3 3 ASP CB C 41.212 0.2 1 14 3 3 ASP N N 121.118 0.2 1 15 4 4 GLU H H 8.038 0.02 1 16 4 4 GLU HA H 4.336 0.02 1 17 4 4 GLU C C 175.724 0.2 1 18 4 4 GLU CA C 56.065 0.2 1 19 4 4 GLU CB C 31.111 0.2 1 20 4 4 GLU N N 119.945 0.2 1 21 5 5 ILE H H 8.291 0.02 1 22 5 5 ILE HA H 4.058 0.02 1 23 5 5 ILE C C 175.728 0.2 1 24 5 5 ILE CA C 60.46 0.2 1 25 5 5 ILE CB C 37.983 0.2 1 26 5 5 ILE N N 121.495 0.2 1 27 6 6 LEU H H 8.369 0.02 1 28 6 6 LEU HA H 4.35 0.02 1 29 6 6 LEU C C 176.718 0.2 1 30 6 6 LEU CA C 55.256 0.2 1 31 6 6 LEU CB C 42.341 0.2 1 32 6 6 LEU N N 127.271 0.2 1 33 7 7 ASP H H 7.99 0.02 1 34 7 7 ASP HA H 4.51 0.02 1 35 7 7 ASP C C 175.714 0.2 1 36 7 7 ASP CA C 57.624 0.2 1 37 7 7 ASP N N 119.776 0.2 1 38 8 8 PRO C C 176.69 0.2 1 39 8 8 PRO CA C 64.935 0.2 1 40 8 8 PRO CB C 32.505 0.2 1 41 9 9 SER H H 8.224 0.02 1 42 9 9 SER HA H 4.357 0.02 1 43 9 9 SER C C 174.629 0.2 1 44 9 9 SER CA C 59.498 0.2 1 45 9 9 SER CB C 64.013 0.2 1 46 9 9 SER N N 111.703 0.2 1 47 10 10 ASN H H 7.586 0.02 1 48 10 10 ASN HA H 4.789 0.02 1 49 10 10 ASN C C 175.022 0.2 1 50 10 10 ASN CA C 52.098 0.2 1 51 10 10 ASN CB C 36.998 0.2 1 52 10 10 ASN N N 120.671 0.2 1 53 11 11 LEU H H 8.15 0.02 1 54 11 11 LEU HA H 3.942 0.02 1 55 11 11 LEU C C 178.453 0.2 1 56 11 11 LEU CA C 58.444 0.2 1 57 11 11 LEU CB C 41.179 0.2 1 58 11 11 LEU N N 123.599 0.2 1 59 12 12 VAL H H 7.913 0.02 1 60 12 12 VAL HA H 3.701 0.02 1 61 12 12 VAL C C 179.019 0.2 1 62 12 12 VAL CA C 66.618 0.2 1 63 12 12 VAL CB C 31.8 0.2 1 64 12 12 VAL N N 118.711 0.2 1 65 13 13 LYS H H 7.479 0.02 1 66 13 13 LYS HA H 4.179 0.02 1 67 13 13 LYS C C 179.119 0.2 1 68 13 13 LYS CA C 57.87 0.2 1 69 13 13 LYS CB C 32.01 0.2 1 70 13 13 LYS N N 120.299 0.2 1 71 14 14 ASN H H 8.309 0.02 1 72 14 14 ASN HA H 4.532 0.02 1 73 14 14 ASN C C 177.011 0.2 1 74 14 14 ASN CA C 56.039 0.2 1 75 14 14 ASN CB C 37.591 0.2 1 76 14 14 ASN N N 117.313 0.2 1 77 15 15 ARG H H 8.463 0.02 1 78 15 15 ARG HA H 3.973 0.02 1 79 15 15 ARG C C 177.668 0.2 1 80 15 15 ARG CA C 60.253 0.2 1 81 15 15 ARG CB C 30.387 0.2 1 82 15 15 ARG N N 122.342 0.2 1 83 16 16 GLU H H 7.529 0.02 1 84 16 16 GLU HA H 4.098 0.02 1 85 16 16 GLU C C 179.895 0.2 1 86 16 16 GLU CA C 60.2 0.2 1 87 16 16 GLU CB C 29.29 0.2 1 88 16 16 GLU N N 120.14 0.2 1 89 17 17 ILE H H 7.72 0.02 1 90 17 17 ILE HA H 3.545 0.02 1 91 17 17 ILE C C 177.652 0.2 1 92 17 17 ILE CA C 65.506 0.2 1 93 17 17 ILE CB C 38.412 0.2 1 94 17 17 ILE N N 119.82 0.2 1 95 18 18 LEU H H 8.276 0.02 1 96 18 18 LEU C C 178.668 0.2 1 97 18 18 LEU CA C 58.444 0.2 1 98 18 18 LEU CB C 40.257 0.2 1 99 18 18 LEU N N 119.944 0.2 1 100 19 19 TYR H H 8.56 0.02 1 101 19 19 TYR HA H 4.019 0.02 1 102 19 19 TYR C C 178.549 0.2 1 103 19 19 TYR CA C 63.911 0.2 1 104 19 19 TYR CB C 37.963 0.2 1 105 19 19 TYR N N 117.643 0.2 1 106 20 20 ARG H H 7.711 0.02 1 107 20 20 ARG HA H 4.165 0.02 1 108 20 20 ARG C C 179.205 0.2 1 109 20 20 ARG CA C 60.916 0.2 1 110 20 20 ARG CB C 30.047 0.2 1 111 20 20 ARG N N 119.123 0.2 1 112 21 21 LEU H H 8.498 0.02 1 113 21 21 LEU HA H 4.11 0.02 1 114 21 21 LEU C C 180.752 0.2 1 115 21 21 LEU CA C 58.237 0.2 1 116 21 21 LEU CB C 42.496 0.2 1 117 21 21 LEU N N 119.685 0.2 1 118 22 22 MET H H 9.139 0.02 1 119 22 22 MET HA H 3.801 0.02 1 120 22 22 MET C C 177.434 0.2 1 121 22 22 MET CA C 60.6 0.2 1 122 22 22 MET CB C 34.351 0.2 1 123 22 22 MET N N 121.385 0.2 1 124 23 23 ILE H H 8.519 0.02 1 125 23 23 ILE C C 178.097 0.2 1 126 23 23 ILE CA C 66.837 0.2 1 127 23 23 ILE CB C 38.388 0.2 1 128 23 23 ILE N N 121.138 0.2 1 129 24 24 SER H H 8.446 0.02 1 130 24 24 SER HA H 4.091 0.02 1 131 24 24 SER C C 176.822 0.2 1 132 24 24 SER CA C 63.806 0.2 1 133 24 24 SER CB C 63.802 0.2 1 134 24 24 SER N N 115.105 0.2 1 135 25 25 GLN H H 8.14 0.02 1 136 25 25 GLN HA H 4.383 0.02 1 137 25 25 GLN C C 177.515 0.2 1 138 25 25 GLN CA C 58.6 0.2 1 139 25 25 GLN CB C 28.885 0.2 1 140 25 25 GLN N N 125.879 0.2 1 141 26 26 LEU H H 8.507 0.02 1 142 26 26 LEU HA H 4.32 0.02 1 143 26 26 LEU C C 179.643 0.2 1 144 26 26 LEU CA C 58.307 0.2 1 145 26 26 LEU CB C 42.849 0.2 1 146 26 26 LEU N N 119.304 0.2 1 147 27 27 MET H H 8.391 0.02 1 148 27 27 MET HA H 3.771 0.02 1 149 27 27 MET C C 179.663 0.2 1 150 27 27 MET CA C 59.779 0.2 1 151 27 27 MET CB C 33.705 0.2 1 152 27 27 MET N N 115.596 0.2 1 153 28 28 TYR H H 8.493 0.02 1 154 28 28 TYR C C 177.109 0.2 1 155 28 28 TYR CA C 62.41 0.2 1 156 28 28 TYR CB C 38.608 0.2 1 157 28 28 TYR N N 123.345 0.2 1 158 29 29 ASP H H 8.319 0.02 1 159 29 29 ASP HA H 4.738 0.02 1 160 29 29 ASP C C 175.98 0.2 1 161 29 29 ASP CA C 54.904 0.2 1 162 29 29 ASP CB C 40.258 0.2 1 163 29 29 ASP N N 116.506 0.2 1 164 30 30 GLY H H 7.662 0.02 1 165 30 30 GLY C C 175.196 0.2 1 166 30 30 GLY CA C 46.047 0.2 1 167 30 30 GLY N N 106.924 0.2 1 168 31 31 LEU H H 8.454 0.02 1 169 31 31 LEU HA H 4.979 0.02 1 170 31 31 LEU C C 177.618 0.2 1 171 31 31 LEU CA C 53.048 0.2 1 172 31 31 LEU CB C 39.899 0.2 1 173 31 31 LEU N N 125.624 0.2 1 174 32 32 GLU H H 8.1 0.02 1 175 32 32 GLU HA H 3.837 0.02 1 176 32 32 GLU C C 178.286 0.2 1 177 32 32 GLU CA C 60.893 0.2 1 178 32 32 GLU CB C 29.888 0.2 1 179 32 32 GLU N N 120.037 0.2 1 180 33 33 LYS H H 8.716 0.02 1 181 33 33 LYS C C 179.37 0.2 1 182 33 33 LYS CA C 60.004 0.2 1 183 33 33 LYS CB C 31.897 0.2 1 184 33 33 LYS N N 120.255 0.2 1 185 34 34 PHE H H 7.853 0.02 1 186 34 34 PHE HA H 4.409 0.02 1 187 34 34 PHE C C 177.399 0.2 1 188 34 34 PHE CA C 61.412 0.2 1 189 34 34 PHE CB C 39.401 0.2 1 190 34 34 PHE N N 119.58 0.2 1 191 35 35 ALA H H 8.581 0.02 1 192 35 35 ALA HA H 3.968 0.02 1 193 35 35 ALA C C 179.586 0.2 1 194 35 35 ALA CA C 55.535 0.2 1 195 35 35 ALA CB C 19.802 0.2 1 196 35 35 ALA N N 120.905 0.2 1 197 36 36 MET H H 8.434 0.02 1 198 36 36 MET HA H 4.3 0.02 1 199 36 36 MET C C 179.287 0.2 1 200 36 36 MET CA C 57.713 0.2 1 201 36 36 MET CB C 31.891 0.2 1 202 36 36 MET N N 116.613 0.2 1 203 37 37 GLU H H 8.011 0.02 1 204 37 37 GLU C C 179.421 0.2 1 205 37 37 GLU CA C 59.776 0.2 1 206 37 37 GLU CB C 29.288 0.2 1 207 37 37 GLU N N 121.762 0.2 1 208 38 38 LEU H H 8.401 0.02 1 209 38 38 LEU HA H 3.687 0.02 1 210 38 38 LEU C C 177.961 0.2 1 211 38 38 LEU CA C 57.705 0.2 1 212 38 38 LEU CB C 40.841 0.2 1 213 38 38 LEU N N 121.205 0.2 1 214 39 39 SER H H 8.425 0.02 1 215 39 39 SER HA H 3.986 0.02 1 216 39 39 SER C C 176.84 0.2 1 217 39 39 SER CA C 62.038 0.2 1 218 39 39 SER CB C 63.005 0.2 1 219 39 39 SER N N 112.818 0.2 1 220 40 40 MET H H 7.693 0.02 1 221 40 40 MET HA H 4.292 0.02 1 222 40 40 MET C C 178.802 0.2 1 223 40 40 MET CA C 58.062 0.2 1 224 40 40 MET CB C 32.307 0.2 1 225 40 40 MET N N 118.474 0.2 1 226 41 41 LEU H H 7.856 0.02 1 227 41 41 LEU HA H 4.258 0.02 1 228 41 41 LEU C C 179.322 0.2 1 229 41 41 LEU CA C 57.982 0.2 1 230 41 41 LEU CB C 42.503 0.2 1 231 41 41 LEU N N 121.083 0.2 1 232 42 42 VAL H H 7.701 0.02 1 233 42 42 VAL C C 175.097 0.2 1 234 42 42 VAL CA C 60.603 0.2 1 235 42 42 VAL CB C 31.389 0.2 1 236 42 42 VAL N N 108.158 0.2 1 237 43 43 LYS H H 7.686 0.02 1 238 43 43 LYS HA H 3.961 0.02 1 239 43 43 LYS C C 175.756 0.2 1 240 43 43 LYS CA C 56.874 0.2 1 241 43 43 LYS CB C 28.754 0.2 1 242 43 43 LYS N N 120.741 0.2 1 243 44 44 ALA H H 7.992 0.02 1 244 44 44 ALA HA H 4.418 0.02 1 245 44 44 ALA C C 177.529 0.2 1 246 44 44 ALA CA C 51.706 0.2 1 247 44 44 ALA CB C 20.909 0.2 1 248 44 44 ALA N N 121.894 0.2 1 249 45 45 ASP H H 8.395 0.02 1 250 45 45 ASP HA H 4.628 0.02 1 251 45 45 ASP C C 175.461 0.2 1 252 45 45 ASP CA C 53.647 0.2 1 253 45 45 ASP CB C 41.956 0.2 1 254 45 45 ASP N N 120.5 0.2 1 255 46 46 GLN H H 8.5 0.02 1 256 46 46 GLN HA H 4.058 0.02 1 257 46 46 GLN C C 176.08 0.2 1 258 46 46 GLN CA C 57.16 0.2 1 259 46 46 GLN CB C 28.407 0.2 1 260 46 46 GLN N N 118.016 0.2 1 261 47 47 CYS H H 8.318 0.02 1 262 47 47 CYS HA H 4.628 0.02 1 263 47 47 CYS C C 172.657 0.2 1 264 47 47 CYS CA C 58.77 0.2 1 265 47 47 CYS CB C 30.285 0.2 1 266 47 47 CYS N N 121.64 0.2 1 267 48 48 ALA H H 8.57 0.02 1 268 48 48 ALA HA H 4.808 0.02 1 269 48 48 ALA C C 175.334 0.2 1 270 48 48 ALA CA C 49.519 0.2 1 271 48 48 ALA N N 125.313 0.2 1 272 49 49 PRO C C 177.063 0.2 1 273 49 49 PRO CA C 63.33 0.2 1 274 49 49 PRO CB C 31.945 0.2 1 275 50 50 SER H H 7.962 0.02 1 276 50 50 SER C C 172.444 0.2 1 277 50 50 SER CA C 58.53 0.2 1 278 50 50 SER CB C 64.85 0.2 1 279 50 50 SER N N 119.868 0.2 1 280 51 51 GLU H H 8.21 0.02 1 281 51 51 GLU HA H 4.729 0.02 1 282 51 51 GLU C C 174.953 0.2 1 283 51 51 GLU CA C 53.429 0.2 1 284 51 51 GLU CB C 28.999 0.2 1 285 51 51 GLU N N 125.039 0.2 1 286 52 52 ARG H H 7.823 0.02 1 287 52 52 ARG HA H 4.345 0.02 1 288 52 52 ARG C C 177.97 0.2 1 289 52 52 ARG CA C 59.493 0.2 1 290 52 52 ARG CB C 30.179 0.2 1 291 52 52 ARG N N 120.027 0.2 1 292 53 53 LEU H H 9.224 0.02 1 293 53 53 LEU C C 176.825 0.2 1 294 53 53 LEU CA C 58.017 0.2 1 295 53 53 LEU CB C 39.665 0.2 1 296 53 53 LEU N N 116.972 0.2 1 297 54 54 LEU H H 7.248 0.02 1 298 54 54 LEU HA H 3.878 0.02 1 299 54 54 LEU C C 177.173 0.2 1 300 54 54 LEU CA C 58.726 0.2 1 301 54 54 LEU CB C 41.359 0.2 1 302 54 54 LEU N N 119.239 0.2 1 303 55 55 HIS H H 7.01 0.02 1 304 55 55 HIS HA H 4.233 0.02 1 305 55 55 HIS C C 179.732 0.2 1 306 55 55 HIS CA C 59.736 0.2 1 307 55 55 HIS CB C 30.765 0.2 1 308 55 55 HIS N N 116.788 0.2 1 309 56 56 VAL H H 9.041 0.02 1 310 56 56 VAL HA H 3.599 0.02 1 311 56 56 VAL C C 177.536 0.2 1 312 56 56 VAL CA C 66.384 0.2 1 313 56 56 VAL CB C 31.745 0.2 1 314 56 56 VAL N N 122.442 0.2 1 315 57 57 MET H H 9.022 0.02 1 316 57 57 MET HA H 3.648 0.02 1 317 57 57 MET C C 177.86 0.2 1 318 57 57 MET CA C 59.178 0.2 1 319 57 57 MET CB C 32.273 0.2 1 320 57 57 MET N N 121.796 0.2 1 321 58 58 ILE H H 8.138 0.02 1 322 58 58 ILE C C 178.012 0.2 1 323 58 58 ILE CA C 66.236 0.2 1 324 58 58 ILE CB C 38.79 0.2 1 325 58 58 ILE N N 119.906 0.2 1 326 59 59 ALA H H 7.625 0.02 1 327 59 59 ALA HA H 4.29 0.02 1 328 59 59 ALA C C 180.939 0.2 1 329 59 59 ALA CA C 54.81 0.2 1 330 59 59 ALA CB C 18.416 0.2 1 331 59 59 ALA N N 120.16 0.2 1 332 60 60 GLY H H 9.04 0.02 1 333 60 60 GLY C C 175.454 0.2 1 334 60 60 GLY CA C 47.606 0.2 1 335 60 60 GLY N N 108.279 0.2 1 336 61 61 MET H H 8.808 0.02 1 337 61 61 MET HA H 4.109 0.02 1 338 61 61 MET C C 178.864 0.2 1 339 61 61 MET CA C 58.9 0.2 1 340 61 61 MET CB C 32.381 0.2 1 341 61 61 MET N N 120.733 0.2 1 342 62 62 GLN H H 7.774 0.02 1 343 62 62 GLN HA H 4.173 0.02 1 344 62 62 GLN C C 178.473 0.2 1 345 62 62 GLN CA C 58.847 0.2 1 346 62 62 GLN CB C 29.173 0.2 1 347 62 62 GLN N N 117.842 0.2 1 348 63 63 THR H H 8.009 0.02 1 349 63 63 THR HA H 4.075 0.02 1 350 63 63 THR C C 175.903 0.2 1 351 63 63 THR CA C 65.629 0.2 1 352 63 63 THR CB C 69.246 0.2 1 353 63 63 THR N N 115.999 0.2 1 354 64 64 LEU H H 8.102 0.02 1 355 64 64 LEU HA H 4.285 0.02 1 356 64 64 LEU C C 177.68 0.2 1 357 64 64 LEU CA C 56.115 0.2 1 358 64 64 LEU CB C 41.889 0.2 1 359 64 64 LEU N N 121.051 0.2 1 360 65 65 SER H H 7.82 0.02 1 361 65 65 SER HA H 4.369 0.02 1 362 65 65 SER C C 174.795 0.2 1 363 65 65 SER CA C 59.38 0.2 1 364 65 65 SER CB C 63.372 0.2 1 365 65 65 SER N N 114.954 0.2 1 366 66 66 LEU H H 7.907 0.02 1 367 66 66 LEU HA H 4.382 0.02 1 368 66 66 LEU C C 177.942 0.2 1 369 66 66 LEU CA C 55.559 0.2 1 370 66 66 LEU CB C 42.631 0.2 1 371 66 66 LEU N N 122.512 0.2 1 372 67 67 GLY H H 8.259 0.02 1 373 67 67 GLY C C 173.297 0.2 1 374 67 67 GLY CA C 45.36 0.2 1 375 67 67 GLY N N 109.071 0.2 1 376 68 68 SER H H 7.831 0.02 1 377 68 68 SER HA H 4.278 0.02 1 378 68 68 SER C C 178.656 0.2 1 379 68 68 SER CA C 59.965 0.2 1 380 68 68 SER N N 120.91 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 700 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ASP N 554 52 2 5 ILE N 741 11 3 6 LEU N 610 7 4 9 SER N 705 47 5 10 ASN N 683 76 6 11 LEU N 728 40 7 12 VAL N 906 137 8 13 LYS N 915 19 9 14 ASN N 737 86 10 15 ARG N 799 29 11 16 GLU N 902 69 12 17 ILE N 863 42 13 18 LEU N 772 109 14 19 TYR N 896 174 15 20 ARG N 918 23 16 21 LEU N 877 81 17 22 MET N 840 86 18 23 ILE N 814 63 19 24 SER N 819 99 20 25 GLN N 814 68 21 26 LEU N 869 56 22 27 MET N 949 64 23 28 TYR N 887 98 24 29 ASP N 885 55 25 30 GLY N 846 133 26 31 LEU N 891 38 27 33 LYS N 726 154 28 34 PHE N 882 176 29 35 ALA N 870 82 30 36 MET N 880 16 31 38 LEU N 833 52 32 39 SER N 867 11 33 40 MET N 865 21 34 42 VAL N 814 95 35 43 LYS N 890 63 36 45 ASP N 739 52 37 46 GLN N 609 24 38 47 CYS N 758 51 39 48 ALA N 681 17 40 51 GLU N 864 72 41 52 ARG N 848 63 42 53 LEU N 823 119 43 54 LEU N 934 145 44 55 HIS N 833 103 45 56 VAL N 819 67 46 57 MET N 845 54 47 59 ALA N 899 26 48 60 GLY N 839 40 49 61 MET N 824 51 50 62 GLN N 774 23 51 63 THR N 832 79 52 64 LEU N 796 55 53 65 SER N 690 17 54 66 LEU N 655 11 55 67 GLY N 681 30 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 700 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 ASP N 125.7 1.6 . . 2 5 ILE N 105.5 3.6 . . 3 6 LEU N 93.9 2.8 . . 4 9 SER N 83.9 2.3 . . 5 10 ASN N 70.7 1.8 . . 6 11 LEU N 78.0 5.2 . . 7 12 VAL N 71.2 1.8 . . 8 13 LYS N 66.1 0.8 . . 9 14 ASN N 67.5 1.9 . . 10 15 ARG N 71.4 1.6 . . 11 16 GLU N 65.0 0.9 . . 12 17 ILE N 65.6 2.2 . . 13 19 TYR N 67.8 1.0 . . 14 20 ARG N 65.1 2.7 . . 15 22 MET N 68.5 0.9 . . 16 23 ILE N 64.7 1.9 . . 17 24 SER N 74.2 3.7 . . 18 25 GLN N 66.5 2.8 . . 19 27 MET N 75.1 2.2 . . 20 28 TYR N 70.3 1.7 . . 21 29 ASP N 72.6 1.7 . . 22 30 GLY N 69.5 1.1 . . 23 31 LEU N 72.3 1.3 . . 24 33 LYS N 66.3 11.4 . . 25 34 PHE N 64.0 4.9 . . 26 35 ALA N 67.3 1.0 . . 27 36 MET N 73.2 1.0 . . 28 38 LEU N 79.8 0.5 . . 29 39 SER N 79.3 2.8 . . 30 40 MET N 69.6 3.0 . . 31 42 VAL N 77.8 3.4 . . 32 43 LYS N 66.9 2.5 . . 33 45 ASP N 89.1 1.5 . . 34 46 GLN N 107.3 2.3 . . 35 47 CYS N 103.9 3.8 . . 36 48 ALA N 93.1 4.0 . . 37 51 GLU N 77.2 3.6 . . 38 52 ARG N 59.1 1.4 . . 39 53 LEU N 67.8 4.3 . . 40 54 LEU N 66.9 0.2 . . 41 55 HIS N 70.8 2.4 . . 42 56 VAL N 65.8 1.8 . . 43 57 MET N 66.3 1.9 . . 44 59 ALA N 64.2 2.1 . . 45 60 GLY N 67.5 1.8 . . 46 61 MET N 66.7 0.5 . . 47 62 GLN N 73.4 1.0 . . 48 63 THR N 79.8 2.0 . . 49 64 LEU N 71.7 2.2 . . 50 65 SER N 98.3 0.4 . . 51 66 LEU N 108.0 1.7 . . 52 67 GLY N 170.8 2.6 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC hetnoe' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 700 _Mol_system_component_name protein _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 ASP 0.39 0.03 4 GLU 0.44 0.05 5 ILE 0.59 0.13 6 LEU 0.51 0.06 7 ASP 0.39 0.01 9 SER 0.75 0.05 10 ASN 0.74 0.11 11 LEU 0.72 0.01 12 VAL 0.77 0.03 13 LYS 0.82 0.04 14 ASN 0.78 0.05 15 ARG 0.82 0.03 16 GLU 0.76 0.06 17 ILE 0.84 0.01 18 LEU 0.75 0.01 19 TYR 0.94 0.06 20 ARG 0.89 0.10 22 MET 0.87 0.07 23 ILE 0.84 0.07 24 SER 0.91 0.10 25 GLN 0.77 0.06 27 MET 0.78 0.04 28 TYR 0.89 0.03 29 ASP 0.85 0.04 30 GLY 0.87 0.02 31 LEU 0.80 0.08 32 GLU 0.72 0.01 33 LYS 0.78 0.08 34 PHE 0.84 0.05 35 ALA 0.82 0.02 36 MET 0.87 0.15 38 LEU 0.72 0.09 39 SER 0.86 0.03 40 MET 0.85 0.01 42 VAL 0.80 0.08 43 LYS 0.76 0.17 45 ASP 0.61 0.03 46 GLN 0.70 0.11 47 CYS 0.56 0.03 48 ALA 0.72 0.06 51 GLU 0.84 0.04 52 ARG 0.92 0.08 53 LEU 0.87 0.02 54 LEU 0.83 0.08 55 HIS 0.97 0.18 56 VAL 0.88 0.13 57 MET 0.85 0.02 58 ILE 0.82 0.04 59 ALA 0.83 0.02 60 GLY 0.83 0.03 61 MET 0.83 0.02 62 GLN 0.74 0.01 63 THR 0.74 0.01 64 LEU 0.76 0.04 65 SER 0.55 0.04 66 LEU 0.45 0.02 67 GLY 0.21 0.07 68 SER -0.25 0.05 stop_ save_