data_27499 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SFRS1-RRM1 ; _BMRB_accession_number 27499 _BMRB_flat_file_name bmr27499.str _Entry_type original _Submission_date 2018-05-31 _Accession_date 2018-05-31 _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 Serrano Pedro . . 2 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 59 "13C chemical shifts" 110 "15N chemical shifts" 56 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-31 original BMRB . stop_ _Original_release_date 2018-06-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments of the the protein SFRS1-RRM1 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wuthrich Kurt . . 2 Serrano Pedro . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name sfrs1-rrm1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label sfrs1-RRM1 $SFRS1-RRM1 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_SFRS1-RRM1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SFRS1-RRM1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; GGSSGSSGMSGGGVIRGPAG NNDCRIYVGNLPPDIRTKDI EDVFYKYGAIRDIDLKNRRG GPPFAFVEFEDPRDAEDAVY GRDGYDYDGYRLRVEFPRSG RGTGSGSGPSS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 SER 4 SER 5 GLY 6 SER 7 SER 8 GLY 9 MET 10 SER 11 GLY 12 GLY 13 GLY 14 VAL 15 ILE 16 ARG 17 GLY 18 PRO 19 ALA 20 GLY 21 ASN 22 ASN 23 ASP 24 CYS 25 ARG 26 ILE 27 TYR 28 VAL 29 GLY 30 ASN 31 LEU 32 PRO 33 PRO 34 ASP 35 ILE 36 ARG 37 THR 38 LYS 39 ASP 40 ILE 41 GLU 42 ASP 43 VAL 44 PHE 45 TYR 46 LYS 47 TYR 48 GLY 49 ALA 50 ILE 51 ARG 52 ASP 53 ILE 54 ASP 55 LEU 56 LYS 57 ASN 58 ARG 59 ARG 60 GLY 61 GLY 62 PRO 63 PRO 64 PHE 65 ALA 66 PHE 67 VAL 68 GLU 69 PHE 70 GLU 71 ASP 72 PRO 73 ARG 74 ASP 75 ALA 76 GLU 77 ASP 78 ALA 79 VAL 80 TYR 81 GLY 82 ARG 83 ASP 84 GLY 85 TYR 86 ASP 87 TYR 88 ASP 89 GLY 90 TYR 91 ARG 92 LEU 93 ARG 94 VAL 95 GLU 96 PHE 97 PRO 98 ARG 99 SER 100 GLY 101 ARG 102 GLY 103 THR 104 GLY 105 SER 106 GLY 107 SER 108 GLY 109 PRO 110 SER 111 SER 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 $SFRS1-RRM1 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 $SFRS1-RRM1 'recombinant technology' . Escherichia coli . pET28B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SFRS1-RRM1 0.5 mM '[U-99% 13C; U-99% 15N]' D2O 5 % '[U-99% 2H]' 'sodium azide' 0.1 % 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_APSY_CACBCoNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY CACBCoNH' _Sample_label $sample_1 save_ save_APSY_HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY HACANH' _Sample_label $sample_1 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' 0.02 . M pH 6.5 . 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 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' 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 sfrs1-RRM1 _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 28 28 VAL H H 8.524 0.000 1 2 28 28 VAL CA C 57.250 0.000 1 3 28 28 VAL CB C 30.345 0.000 1 4 28 28 VAL N N 126.488 0.000 1 5 29 29 GLY H H 9.584 0.000 1 6 29 29 GLY HA2 H 4.788 0.000 1 7 29 29 GLY HA3 H 4.788 0.000 1 8 29 29 GLY C C 171.606 0.000 1 9 29 29 GLY CA C 40.281 0.000 1 10 29 29 GLY N N 113.190 0.000 1 11 30 30 ASN H H 9.057 0.000 1 12 30 30 ASN CA C 51.198 0.000 1 13 30 30 ASN CB C 35.697 0.000 1 14 30 30 ASN N N 115.880 0.000 1 15 31 31 LEU H H 6.653 0.000 1 16 31 31 LEU CA C 50.066 0.000 1 17 31 31 LEU CB C 39.566 0.000 1 18 31 31 LEU N N 111.810 0.000 1 19 39 39 ASP H H 7.081 0.000 1 20 39 39 ASP CA C 54.753 0.000 1 21 39 39 ASP CB C 38.728 0.000 1 22 39 39 ASP N N 116.962 0.000 1 23 40 40 ILE H H 7.313 0.000 1 24 40 40 ILE CA C 62.392 0.000 1 25 40 40 ILE CB C 34.021 0.000 1 26 40 40 ILE N N 118.189 0.000 1 27 41 41 GLU H H 8.180 0.000 1 28 41 41 GLU CA C 58.087 0.000 1 29 41 41 GLU CB C 26.928 0.000 1 30 41 41 GLU N N 121.112 0.000 1 31 42 42 ASP H H 8.016 0.000 1 32 42 42 ASP CA C 55.214 0.000 1 33 42 42 ASP CB C 37.696 0.000 1 34 42 42 ASP N N 117.287 0.000 1 35 43 43 VAL H H 7.734 0.000 1 36 43 43 VAL CA C 62.633 0.000 1 37 43 43 VAL CB C 29.056 0.000 1 38 43 43 VAL N N 118.225 0.000 1 39 44 44 PHE H H 7.805 0.000 1 40 44 44 PHE CA C 57.998 0.000 1 41 44 44 PHE CB C 38.405 0.000 1 42 44 44 PHE N N 116.204 0.000 1 43 45 45 TYR H H 8.721 0.000 1 44 45 45 TYR CA C 58.833 0.000 1 45 45 45 TYR CB C 34.601 0.000 1 46 45 45 TYR N N 121.508 0.000 1 47 46 46 LYS H H 7.701 0.000 1 48 46 46 LYS CA C 54.650 0.000 1 49 46 46 LYS CB C 28.024 0.000 1 50 46 46 LYS N N 115.771 0.000 1 51 47 47 TYR H H 7.693 0.000 1 52 47 47 TYR CA C 57.792 0.000 1 53 47 47 TYR CB C 35.762 0.000 1 54 47 47 TYR N N 117.648 0.000 1 55 48 48 GLY H H 7.256 0.000 1 56 48 48 GLY CA C 41.517 0.000 1 57 48 48 GLY N N 103.503 0.000 1 58 49 49 ALA H H 8.182 0.000 1 59 49 49 ALA CA C 50.820 0.000 1 60 49 49 ALA CB C 15.966 0.000 1 61 49 49 ALA N N 119.776 0.000 1 62 50 50 ILE H H 8.458 0.000 1 63 50 50 ILE CA C 58.737 0.000 1 64 50 50 ILE CB C 37.594 0.000 1 65 50 50 ILE N N 123.962 0.000 1 66 51 51 ARG H H 9.280 0.000 1 67 51 51 ARG HA H 4.865 0.000 1 68 51 51 ARG C C 170.956 0.000 1 69 51 51 ARG CA C 54.330 0.000 1 70 51 51 ARG CB C 28.669 0.000 1 71 51 51 ARG N N 128.117 0.000 1 72 52 52 ASP H H 7.546 0.000 1 73 52 52 ASP CA C 51.869 0.000 1 74 52 52 ASP CB C 42.274 0.000 1 75 52 52 ASP N N 116.168 0.000 1 76 53 53 ILE H H 7.945 0.000 1 77 53 53 ILE CA C 58.719 0.000 1 78 53 53 ILE CB C 38.276 0.000 1 79 53 53 ILE N N 122.302 0.000 1 80 54 54 ASP H H 8.991 0.000 1 81 54 54 ASP CA C 49.552 0.000 1 82 54 54 ASP CB C 39.824 0.000 1 83 54 54 ASP N N 128.880 0.000 1 84 55 55 LEU H H 8.297 0.000 1 85 55 55 LEU CA C 52.048 0.000 1 86 55 55 LEU CB C 40.920 0.000 1 87 55 55 LEU N N 126.271 0.000 1 88 56 56 LYS H H 8.971 0.000 1 89 56 56 LYS C C 170.838 0.000 1 90 56 56 LYS CA C 51.560 0.000 1 91 56 56 LYS CB C 38.566 0.000 1 92 56 56 LYS N N 128.827 0.000 1 93 57 57 ASN H H 8.341 0.000 1 94 57 57 ASN CA C 57.039 0.000 1 95 57 57 ASN CB C 26.428 0.000 1 96 57 57 ASN N N 115.338 0.000 1 97 58 58 ARG H H 7.759 0.000 1 98 58 58 ARG CA C 52.641 0.000 1 99 58 58 ARG CB C 29.894 0.000 1 100 58 58 ARG N N 121.797 0.000 1 101 59 59 ARG H H 9.038 0.000 1 102 59 59 ARG CA C 56.666 0.000 1 103 59 59 ARG CB C 37.374 0.000 1 104 59 59 ARG N N 116.746 0.000 1 105 64 64 PHE H H 7.709 0.000 1 106 64 64 PHE CA C 52.281 0.000 1 107 64 64 PHE CB C 38.599 0.000 1 108 64 64 PHE N N 114.291 0.000 1 109 65 65 ALA H H 9.243 0.000 1 110 65 65 ALA CA C 46.845 0.000 1 111 65 65 ALA CB C 20.802 0.000 1 112 65 65 ALA N N 120.101 0.000 1 113 66 66 PHE H H 8.360 0.000 1 114 66 66 PHE CA C 53.389 0.000 1 115 66 66 PHE CB C 39.373 0.000 1 116 66 66 PHE N N 115.591 0.000 1 117 67 67 VAL H H 8.753 0.000 1 118 67 67 VAL CA C 58.312 0.000 1 119 67 67 VAL CB C 30.410 0.000 1 120 67 67 VAL N N 124.179 0.000 1 121 68 68 GLU H H 8.879 0.000 1 122 68 68 GLU CA C 51.782 0.000 1 123 68 68 GLU CB C 30.216 0.000 1 124 68 68 GLU N N 127.462 0.000 1 125 69 69 PHE H H 8.849 0.000 1 126 69 69 PHE CA C 56.082 0.000 1 127 69 69 PHE CB C 38.083 0.000 1 128 69 69 PHE N N 127.210 0.000 1 129 70 70 GLU H H 9.079 0.000 1 130 70 70 GLU CA C 53.853 0.000 1 131 70 70 GLU CB C 36.729 0.000 1 132 70 70 GLU N N 123.746 0.000 1 133 73 73 ARG H H 8.917 0.000 1 134 73 73 ARG CA C 55.976 0.000 1 135 73 73 ARG CB C 27.315 0.000 1 136 73 73 ARG N N 120.823 0.000 1 137 74 74 ASP H H 7.207 0.000 1 138 74 74 ASP CA C 54.238 0.000 1 139 74 74 ASP CB C 36.922 0.000 1 140 74 74 ASP N N 121.364 0.000 1 141 75 75 ALA H H 6.822 0.000 1 142 75 75 ALA CA C 51.972 0.000 1 143 75 75 ALA CB C 15.644 0.000 1 144 75 75 ALA N N 119.343 0.000 1 145 76 76 GLU H H 7.658 0.000 1 146 76 76 GLU CA C 57.174 0.000 1 147 76 76 GLU CB C 26.799 0.000 1 148 76 76 GLU N N 116.204 0.000 1 149 77 77 ASP H H 7.874 0.000 1 150 77 77 ASP CA C 54.599 0.000 1 151 77 77 ASP CB C 37.567 0.000 1 152 77 77 ASP N N 118.874 0.000 1 153 78 78 ALA H H 7.767 0.000 1 154 78 78 ALA CA C 51.714 0.000 1 155 78 78 ALA CB C 16.740 0.000 1 156 78 78 ALA N N 123.709 0.000 1 157 79 79 VAL H H 7.562 0.000 1 158 79 79 VAL CA C 63.766 0.000 1 159 79 79 VAL CB C 28.217 0.000 1 160 79 79 VAL N N 118.838 0.000 1 161 80 80 TYR H H 7.606 0.000 1 162 80 80 TYR CA C 57.586 0.000 1 163 80 80 TYR CB C 34.988 0.000 1 164 80 80 TYR N N 116.060 0.000 1 165 81 81 GLY H H 8.502 0.000 1 166 81 81 GLY CA C 43.577 0.000 1 167 81 81 GLY N N 104.802 0.000 1 168 82 82 ARG H H 8.004 0.000 1 169 82 82 ARG CA C 51.145 0.000 1 170 82 82 ARG CB C 29.507 0.000 1 171 82 82 ARG N N 115.939 0.000 1 172 83 83 ASP H H 7.942 0.000 1 173 83 83 ASP CA C 55.783 0.000 1 174 83 83 ASP CB C 38.288 0.000 1 175 83 83 ASP N N 120.282 0.000 1 176 84 84 GLY H H 9.051 0.000 1 177 84 84 GLY CA C 43.022 0.000 1 178 84 84 GLY N N 117.684 0.000 1 179 85 85 TYR H H 8.122 0.000 1 180 85 85 TYR CA C 55.890 0.000 1 181 85 85 TYR CB C 37.503 0.000 1 182 85 85 TYR N N 122.844 0.000 1 183 86 86 ASP H H 7.756 0.000 1 184 86 86 ASP CA C 50.993 0.000 1 185 86 86 ASP CB C 37.761 0.000 1 186 86 86 ASP N N 126.632 0.000 1 187 87 87 TYR H H 9.133 0.000 1 188 87 87 TYR CA C 53.311 0.000 1 189 87 87 TYR CB C 37.180 0.000 1 190 87 87 TYR N N 130.047 0.000 1 191 88 88 ASP H H 8.387 0.000 1 192 88 88 ASP CA C 52.685 0.000 1 193 88 88 ASP CB C 37.245 0.000 1 194 88 88 ASP N N 124.648 0.000 1 195 89 89 GLY H H 8.357 0.000 1 196 89 89 GLY CA C 42.599 0.000 1 197 89 89 GLY N N 104.297 0.000 1 198 90 90 TYR H H 8.081 0.000 1 199 90 90 TYR CA C 55.113 0.000 1 200 90 90 TYR CB C 34.859 0.000 1 201 90 90 TYR N N 123.493 0.000 1 202 91 91 ARG H H 8.234 0.000 1 203 91 91 ARG CA C 52.443 0.000 1 204 91 91 ARG CB C 26.347 0.000 1 205 91 91 ARG N N 122.735 0.000 1 206 92 92 LEU H H 9.480 0.000 1 207 92 92 LEU CA C 53.466 0.000 1 208 92 92 LEU CB C 39.695 0.000 1 209 92 92 LEU N N 129.230 0.000 1 210 93 93 ARG H H 8.048 0.000 1 211 93 93 ARG CA C 51.294 0.000 1 212 93 93 ARG CB C 28.862 0.000 1 213 93 93 ARG N N 123.962 0.000 1 214 94 94 VAL H H 9.431 0.000 1 215 94 94 VAL CA C 57.994 0.000 1 216 94 94 VAL CB C 30.410 0.000 1 217 94 94 VAL N N 127.498 0.000 1 218 95 95 GLU H H 8.964 0.000 1 219 95 95 GLU CA C 51.304 0.000 1 220 95 95 GLU CB C 30.474 0.000 1 221 95 95 GLU N N 120.823 0.000 1 222 96 96 PHE H H 8.723 0.000 1 223 96 96 PHE CA C 54.848 0.000 1 224 96 96 PHE CB C 35.310 0.000 1 225 96 96 PHE N N 120.137 0.000 1 stop_ save_