data_19993 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Lysyl t-RNA synthetase 1-72 ; _BMRB_accession_number 19993 _BMRB_flat_file_name bmr19993.str _Entry_type original _Submission_date 2014-05-29 _Accession_date 2014-05-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical shift assignments, 15N T1,T2 and NOE of LysRS 1-72' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mushtaq Ameeq U. . 2 Cho Hye Y. . 3 Jeon Young H. . 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" 206 "13C chemical shifts" 166 "15N chemical shifts" 61 "T1 relaxation values" 43 "T2 relaxation values" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-07-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19995 'LysRS Anticodon Binding Domain 72-207' stop_ _Original_release_date 2014-05-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Characterization of the interaction between lysyl-tRNA synthetase and laminin receptor by NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24983501 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cho 'Hye Young' Y. . 2 'Ul Mushtaq' Ameeq . . 3 Lee 'Jin Young' Y. . 4 Kim 'Dae Gyu' G. . 5 Seok 'Min Sook' S. . 6 Jang Minseok . . 7 Han Byung-Woo W. . 8 Kim Sunghoon . . 9 Jeon 'Young Ho' H. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 588 _Journal_issue 17 _Journal_ISSN 1873-3468 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2851 _Page_last 2858 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LysRS1-72 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Lysyl t-RNA synthetase1-72' $LysRS1-72 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_LysRS1-72 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LysRS1-72 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; MAAVQAAEVKVDGSEPKLSK NELKRRLKAEKKVAEKEAKQ KELSEKQLSQATAAATNHTT DNGVGPEEESVD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 VAL 5 GLN 6 ALA 7 ALA 8 GLU 9 VAL 10 LYS 11 VAL 12 ASP 13 GLY 14 SER 15 GLU 16 PRO 17 LYS 18 LEU 19 SER 20 LYS 21 ASN 22 GLU 23 LEU 24 LYS 25 ARG 26 ARG 27 LEU 28 LYS 29 ALA 30 GLU 31 LYS 32 LYS 33 VAL 34 ALA 35 GLU 36 LYS 37 GLU 38 ALA 39 LYS 40 GLN 41 LYS 42 GLU 43 LEU 44 SER 45 GLU 46 LYS 47 GLN 48 LEU 49 SER 50 GLN 51 ALA 52 THR 53 ALA 54 ALA 55 ALA 56 THR 57 ASN 58 HIS 59 THR 60 THR 61 ASP 62 ASN 63 GLY 64 VAL 65 GLY 66 PRO 67 GLU 68 GLU 69 GLU 70 SER 71 VAL 72 ASP 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 $LysRS1-72 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 $LysRS1-72 'recombinant technology' . Escherichia coli . pGEX-4T-1 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 $LysRS1-72 0.2 mM '[U-13C; U-15N]' 'sodium chloride' 100 mM 'natural abundance' HEPES 20 mM 'natural abundance' DTT 1 mM 'natural abundance' PMSF 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LysRS1-72 0.2 mM [U-15N] 'sodium chloride' 100 mM 'natural abundance' HEPES 20 mM 'natural abundance' DTT 1 mM 'natural abundance' PMSF 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Saveframe_category software _Name CCPN _Version 2.1.5 loop_ _Vendor _Address _Electronic_address CCPN . . Goddard . . stop_ loop_ _Task 'Relaxation data analysis' 'chemical shift assignment' stop_ _Details ; Chemical shift assignment with CCPN2.1.5. Relaxation analysis with SPARKY3.113 ; 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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_-T2_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC -T2' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC-T1_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-T1' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC-NOE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-NOE' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '0.2mM of 13C/15N labelled protein in 100mM NaCl, 20mM HEPES buffer.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 303 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external 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 $CCPN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' '3D HNCA' '3D C(CO)NH' '3D HBHA(CO)NH' '3D HBHANH' '3D HN(CO)CA' 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 'Lysyl t-RNA synthetase1-72' _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 HA H 4.513 . 1 2 1 1 MET HB2 H 2.108 . 1 3 1 1 MET HB3 H 2.011 . 1 4 1 1 MET C C 175.960 . 1 5 1 1 MET CA C 55.491 . 1 6 1 1 MET CB C 32.813 . 1 7 2 2 ALA H H 8.206 . 1 8 2 2 ALA HA H 4.281 . 1 9 2 2 ALA HB H 1.386 . 1 10 2 2 ALA C C 177.428 . 1 11 2 2 ALA CA C 52.535 . 1 12 2 2 ALA CB C 19.059 . 1 13 2 2 ALA N N 126.180 . 1 14 3 3 ALA H H 8.162 . 1 15 3 3 ALA HA H 4.312 . 1 16 3 3 ALA HB H 1.383 . 1 17 3 3 ALA C C 177.812 . 1 18 3 3 ALA CA C 52.378 . 1 19 3 3 ALA CB C 19.032 . 1 20 3 3 ALA N N 124.211 . 1 21 4 4 VAL H H 8.005 . 1 22 4 4 VAL HA H 4.069 . 1 23 4 4 VAL HB H 2.051 . 1 24 4 4 VAL C C 176.253 . 1 25 4 4 VAL CA C 62.299 . 1 26 4 4 VAL CB C 32.778 . 1 27 4 4 VAL N N 120.475 . 1 28 5 5 GLN H H 8.331 . 1 29 5 5 GLN HA H 4.325 . 1 30 5 5 GLN C C 175.621 . 1 31 5 5 GLN CA C 55.696 . 1 32 5 5 GLN CB C 29.404 . 1 33 5 5 GLN N N 125.106 . 1 34 6 6 ALA H H 8.238 . 1 35 6 6 ALA HA H 4.283 . 1 36 6 6 ALA HB H 1.394 . 1 37 6 6 ALA C C 177.350 . 1 38 6 6 ALA CA C 52.501 . 1 39 6 6 ALA CB C 19.089 . 1 40 6 6 ALA N N 126.212 . 1 41 7 7 ALA H H 8.223 . 1 42 7 7 ALA HA H 4.309 . 1 43 7 7 ALA HB H 1.387 . 1 44 7 7 ALA C C 177.782 . 1 45 7 7 ALA CA C 52.430 . 1 46 7 7 ALA CB C 19.171 . 1 47 7 7 ALA N N 124.473 . 1 48 8 8 GLU H H 8.234 . 1 49 8 8 GLU HA H 4.267 . 1 50 8 8 GLU HB2 H 1.937 . 1 51 8 8 GLU HB3 H 1.981 . 1 52 8 8 GLU C C 176.294 . 1 53 8 8 GLU CA C 56.461 . 1 54 8 8 GLU CB C 30.438 . 1 55 8 8 GLU N N 121.125 . 1 56 9 9 VAL H H 8.100 . 1 57 9 9 VAL HA H 4.072 . 1 58 9 9 VAL HB H 2.024 . 1 59 9 9 VAL C C 175.785 . 1 60 9 9 VAL CA C 62.258 . 1 61 9 9 VAL CB C 32.755 . 1 62 9 9 VAL N N 123.099 . 1 63 10 10 LYS H H 8.359 . 1 64 10 10 LYS HA H 4.261 . 1 65 10 10 LYS HB2 H 1.746 . 1 66 10 10 LYS HB3 H 1.795 . 1 67 10 10 LYS C C 176.397 . 1 68 10 10 LYS CA C 55.904 . 1 69 10 10 LYS N N 127.174 . 1 70 11 11 VAL H H 8.244 . 1 71 11 11 VAL HA H 4.161 . 1 72 11 11 VAL HB H 2.065 . 1 73 11 11 VAL C C 175.895 . 1 74 11 11 VAL CA C 62.044 . 1 75 11 11 VAL CB C 32.961 . 1 76 11 11 VAL CG2 C 17.982 . 1 77 11 11 VAL N N 123.080 . 1 78 12 12 ASP H H 8.432 . 1 79 12 12 ASP HA H 4.621 . 1 80 12 12 ASP HB3 H 2.694 . 1 81 12 12 ASP C C 176.756 . 1 82 12 12 ASP CA C 54.376 . 1 83 12 12 ASP CB C 41.252 . 1 84 12 12 ASP N N 125.222 . 1 85 13 13 GLY H H 8.383 . 1 86 13 13 GLY HA2 H 4.006 . 1 87 13 13 GLY HA3 H 4.004 . 1 88 13 13 GLY C C 174.387 . 1 89 13 13 GLY CA C 45.451 . 1 90 13 13 GLY N N 110.983 . 1 91 14 14 SER H H 8.167 . 1 92 14 14 SER HA H 4.435 . 1 93 14 14 SER HB3 H 3.875 . 1 94 14 14 SER C C 174.247 . 1 95 14 14 SER CA C 58.504 . 1 96 14 14 SER CB C 63.939 . 1 97 14 14 SER N N 116.514 . 1 98 15 15 GLU H H 8.332 . 1 99 15 15 GLU HA H 4.589 . 1 100 15 15 GLU HB2 H 2.051 . 1 101 15 15 GLU HB3 H 1.933 . 1 102 15 15 GLU C C 174.520 . 1 103 15 15 GLU CA C 54.685 . 1 104 15 15 GLU CB C 29.590 . 1 105 15 15 GLU N N 124.518 . 1 106 16 16 PRO HA H 4.405 . 1 107 16 16 PRO HB2 H 2.291 . 1 108 16 16 PRO HB3 H 1.876 . 1 109 17 17 LYS H H 8.372 . 1 110 17 17 LYS HA H 4.310 . 1 111 17 17 LYS HB2 H 1.774 . 1 112 17 17 LYS HB3 H 1.827 . 1 113 17 17 LYS C C 176.583 . 1 114 17 17 LYS CA C 56.194 . 1 115 17 17 LYS N N 122.409 . 1 116 18 18 LEU H H 8.088 . 1 117 18 18 LEU HA H 4.327 . 1 118 18 18 LEU HB2 H 1.712 . 1 119 18 18 LEU HB3 H 1.591 . 1 120 18 18 LEU C C 178.052 . 1 121 18 18 LEU CA C 55.955 . 1 122 18 18 LEU CB C 42.213 . 1 123 18 18 LEU N N 122.898 . 1 124 19 19 SER H H 8.143 . 1 125 19 19 SER HA H 4.419 . 1 126 19 19 SER HB3 H 3.917 . 1 127 19 19 SER C C 174.940 . 1 128 19 19 SER CA C 58.739 . 1 129 19 19 SER CB C 63.665 . 1 130 19 19 SER N N 116.606 . 1 131 22 22 GLU H H 8.092 . 1 132 22 22 GLU HA H 4.204 . 1 133 22 22 GLU HB2 H 2.053 . 1 134 22 22 GLU HB3 H 2.051 . 1 135 22 22 GLU CA C 57.719 . 1 136 22 22 GLU CB C 29.837 . 1 137 22 22 GLU N N 122.449 . 1 138 23 23 LEU H H 8.137 . 1 139 23 23 LEU HA H 4.172 . 1 140 23 23 LEU HB2 H 1.622 . 1 141 23 23 LEU HB3 H 1.629 . 1 142 23 23 LEU C C 178.254 . 1 143 23 23 LEU CA C 56.747 . 1 144 23 23 LEU CB C 42.181 . 1 145 23 23 LEU N N 122.726 . 1 146 24 24 LYS H H 7.949 . 1 147 24 24 LYS HA H 4.160 . 1 148 24 24 LYS HB2 H 1.861 . 1 149 24 24 LYS HB3 H 1.852 . 1 150 24 24 LYS C C 177.641 . 1 151 24 24 LYS CA C 57.749 . 1 152 24 24 LYS CB C 32.529 . 1 153 24 24 LYS N N 120.565 . 1 154 25 25 ARG H H 7.906 . 1 155 25 25 ARG HA H 4.178 . 1 156 25 25 ARG HB2 H 1.866 . 1 157 25 25 ARG C C 177.389 . 1 158 25 25 ARG CA C 57.480 . 1 159 25 25 ARG CB C 30.549 . 1 160 25 25 ARG N N 121.329 . 1 161 26 26 ARG H H 8.123 . 1 162 26 26 ARG HA H 4.266 . 1 163 26 26 ARG C C 177.063 . 1 164 26 26 ARG CA C 56.473 . 1 165 26 26 ARG N N 121.973 . 1 166 27 27 LEU H H 8.168 . 1 167 27 27 LEU HA H 4.272 . 1 168 27 27 LEU HB2 H 1.725 . 1 169 27 27 LEU HB3 H 1.587 . 1 170 27 27 LEU C C 177.958 . 1 171 27 27 LEU CA C 55.731 . 1 172 27 27 LEU CB C 42.285 . 1 173 27 27 LEU N N 123.493 . 1 174 28 28 LYS H H 8.013 . 1 175 28 28 LYS HA H 4.215 . 1 176 28 28 LYS HB3 H 1.833 . 1 177 28 28 LYS C C 176.839 . 1 178 28 28 LYS CA C 57.105 . 1 179 28 28 LYS CB C 32.862 . 1 180 28 28 LYS N N 121.805 . 1 181 29 29 ALA HA H 4.282 . 1 182 29 29 ALA HB H 1.423 . 1 183 29 29 ALA CA C 52.991 . 1 184 29 29 ALA CB C 19.019 . 1 185 29 29 ALA N N 125.020 . 1 186 30 30 GLU H H 8.121 . 1 187 30 30 GLU HA H 4.210 . 1 188 30 30 GLU HB2 H 2.009 . 1 189 30 30 GLU HB3 H 2.029 . 1 190 30 30 GLU C C 178.508 . 1 191 30 30 GLU CA C 56.847 . 1 192 30 30 GLU CB C 30.441 . 1 193 30 30 GLU N N 120.653 . 1 194 31 31 LYS H H 8.310 . 1 195 31 31 LYS HA H 4.235 . 1 196 31 31 LYS C C 177.340 . 1 197 31 31 LYS CA C 57.502 . 1 198 31 31 LYS N N 123.015 . 1 199 32 32 LYS H H 8.095 . 1 200 32 32 LYS HA H 4.235 . 1 201 32 32 LYS HB3 H 1.828 . 1 202 32 32 LYS C C 177.088 . 1 203 32 32 LYS CA C 57.145 . 1 204 32 32 LYS CB C 32.664 . 1 205 32 32 LYS N N 121.948 . 1 206 33 33 VAL H H 8.019 . 1 207 33 33 VAL HA H 4.021 . 1 208 33 33 VAL HB H 2.083 . 1 209 33 33 VAL C C 176.220 . 1 210 33 33 VAL CA C 62.972 . 1 211 33 33 VAL CB C 32.756 . 1 212 33 33 VAL N N 122.412 . 1 213 34 34 ALA H H 8.039 . 1 214 34 34 ALA HA H 4.294 . 1 215 34 34 ALA HB H 1.422 . 1 216 34 34 ALA C C 178.182 . 1 217 34 34 ALA CA C 52.996 . 1 218 34 34 ALA N N 127.602 . 1 219 35 35 GLU H H 8.206 . 1 220 35 35 GLU HA H 4.234 . 1 221 35 35 GLU HB2 H 2.009 . 1 222 35 35 GLU C C 176.941 . 1 223 35 35 GLU CA C 56.935 . 1 224 35 35 GLU CB C 30.425 . 1 225 35 35 GLU N N 120.861 . 1 226 36 36 LYS H H 8.180 . 1 227 36 36 LYS HA H 4.248 . 1 228 36 36 LYS HB3 H 2.083 . 1 229 36 36 LYS C C 176.732 . 1 230 36 36 LYS CA C 56.457 . 1 231 36 36 LYS CB C 29.010 . 1 232 36 36 LYS N N 121.516 . 1 233 37 37 GLU H H 8.179 . 1 234 37 37 GLU HA H 4.252 . 1 235 37 37 GLU HB2 H 1.821 . 1 236 37 37 GLU C C 176.732 . 1 237 37 37 GLU CA C 57.254 . 1 238 37 37 GLU CB C 29.787 . 1 239 37 37 GLU N N 122.992 . 1 240 39 39 LYS H H 7.973 . 1 241 39 39 LYS CA C 62.400 . 1 242 39 39 LYS CB C 32.712 . 1 243 39 39 LYS N N 119.537 . 1 244 40 40 GLN H H 8.239 . 1 245 40 40 GLN HA H 4.216 . 1 246 40 40 GLN HB3 H 2.024 . 1 247 40 40 GLN C C 177.032 . 1 248 40 40 GLN CA C 56.692 . 1 249 40 40 GLN CB C 30.290 . 1 250 40 40 GLN N N 122.045 . 1 251 41 41 LYS H H 8.474 . 1 252 41 41 LYS HA H 4.299 . 1 253 41 41 LYS HB3 H 1.916 . 1 254 41 41 LYS C C 176.265 . 1 255 41 41 LYS CA C 56.423 . 1 256 41 41 LYS N N 123.052 . 1 257 42 42 GLU H H 8.132 . 1 258 42 42 GLU HA H 4.264 . 1 259 42 42 GLU HB2 H 2.090 . 1 260 42 42 GLU C C 176.727 . 1 261 42 42 GLU CA C 56.502 . 1 262 42 42 GLU CB C 29.172 . 1 263 42 42 GLU N N 121.203 . 1 264 44 44 SER H H 8.383 . 1 265 44 44 SER HA H 4.445 . 1 266 44 44 SER HB2 H 3.966 . 1 267 44 44 SER HB3 H 4.063 . 1 268 44 44 SER C C 174.491 . 1 269 44 44 SER CA C 58.025 . 1 270 44 44 SER CB C 64.033 . 1 271 44 44 SER N N 118.279 . 1 272 47 47 GLN H H 8.644 . 1 273 47 47 GLN HA H 4.326 . 1 274 47 47 GLN HB3 H 2.051 . 1 275 47 47 GLN C C 176.316 . 1 276 47 47 GLN CA C 56.746 . 1 277 47 47 GLN CB C 30.227 . 1 278 47 47 GLN N N 122.592 . 1 279 48 48 LEU H H 8.122 . 1 280 48 48 LEU HA H 4.231 . 1 281 48 48 LEU HB2 H 1.712 . 1 282 48 48 LEU HB3 H 1.606 . 1 283 48 48 LEU C C 177.105 . 1 284 48 48 LEU CA C 55.736 . 1 285 48 48 LEU N N 122.984 . 1 286 49 49 SER H H 8.205 . 1 287 49 49 SER HA H 4.411 . 1 288 49 49 SER HB3 H 3.909 . 1 289 49 49 SER C C 175.688 . 1 290 49 49 SER CA C 61.265 . 1 291 49 49 SER CB C 63.932 . 1 292 49 49 SER N N 116.893 . 1 293 50 50 GLN HA H 4.332 . 1 294 50 50 GLN HB2 H 2.018 . 1 295 50 50 GLN HB3 H 2.150 . 1 296 51 51 ALA H H 8.169 . 1 297 51 51 ALA HA H 4.350 . 1 298 51 51 ALA HB H 1.425 . 1 299 51 51 ALA C C 178.434 . 1 300 51 51 ALA CA C 53.196 . 1 301 51 51 ALA CB C 18.962 . 1 302 51 51 ALA N N 125.394 . 1 303 52 52 THR H H 7.973 . 1 304 52 52 THR HA H 4.297 . 1 305 52 52 THR HB H 4.231 . 1 306 52 52 THR C C 174.641 . 1 307 52 52 THR CA C 62.155 . 1 308 52 52 THR CB C 69.756 . 1 309 52 52 THR N N 113.871 . 1 310 53 53 ALA H H 8.137 . 1 311 53 53 ALA HA H 4.291 . 1 312 53 53 ALA HB H 1.402 . 1 313 53 53 ALA CA C 52.713 . 1 314 53 53 ALA CB C 19.105 . 1 315 53 53 ALA N N 127.075 . 1 316 54 54 ALA H H 8.100 . 1 317 54 54 ALA HA H 4.265 . 1 318 54 54 ALA HB H 1.404 . 1 319 54 54 ALA C C 177.668 . 1 320 54 54 ALA N N 123.751 . 1 321 55 55 ALA H H 8.157 . 1 322 55 55 ALA HA H 4.289 . 1 323 55 55 ALA HB H 1.397 . 1 324 55 55 ALA C C 177.390 . 1 325 55 55 ALA CA C 52.580 . 1 326 55 55 ALA CB C 19.065 . 1 327 55 55 ALA N N 124.008 . 1 328 56 56 THR H H 7.971 . 1 329 56 56 THR HA H 4.362 . 1 330 56 56 THR HB H 4.187 . 1 331 56 56 THR C C 178.043 . 1 332 56 56 THR CA C 61.759 . 1 333 56 56 THR CB C 69.832 . 1 334 56 56 THR N N 113.412 . 1 335 57 57 ASN H H 7.984 . 1 336 57 57 ASN HA H 4.492 . 1 337 57 57 ASN HB2 H 2.695 . 1 338 57 57 ASN HB3 H 2.760 . 1 339 57 57 ASN C C 179.361 . 1 340 57 57 ASN CA C 54.815 . 1 341 57 57 ASN CB C 40.652 . 1 342 57 57 ASN N N 126.630 . 1 343 58 58 HIS HA H 4.517 . 1 344 58 58 HIS HB2 H 3.862 . 1 345 58 58 HIS CA C 57.985 . 1 346 59 59 THR H H 8.268 . 1 347 59 59 THR HA H 4.417 . 1 348 59 59 THR HB H 4.095 . 1 349 59 59 THR N N 113.126 . 1 350 60 60 THR H H 8.124 . 1 351 60 60 THR HA H 4.399 . 1 352 60 60 THR HB H 4.257 . 1 353 60 60 THR C C 174.290 . 1 354 60 60 THR CA C 61.877 . 1 355 60 60 THR CB C 69.823 . 1 356 60 60 THR N N 116.395 . 1 357 61 61 ASP H H 8.275 . 1 358 61 61 ASP HA H 4.632 . 1 359 61 61 ASP HB2 H 2.645 . 1 360 61 61 ASP HB3 H 2.721 . 1 361 61 61 ASP C C 176.009 . 1 362 61 61 ASP CA C 54.415 . 1 363 61 61 ASP CB C 41.189 . 1 364 61 61 ASP N N 123.475 . 1 365 62 62 ASN H H 8.349 . 1 366 62 62 ASN HA H 4.715 . 1 367 62 62 ASN HB2 H 2.803 . 1 368 62 62 ASN HB3 H 2.834 . 1 369 62 62 ASN C C 175.811 . 1 370 62 62 ASN CA C 53.361 . 1 371 62 62 ASN CB C 38.722 . 1 372 62 62 ASN N N 120.127 . 1 373 63 63 GLY H H 8.348 . 1 374 63 63 GLY HA2 H 4.012 . 1 375 63 63 GLY HA3 H 3.934 . 1 376 63 63 GLY CA C 45.361 . 1 377 63 63 GLY N N 109.924 . 1 378 64 64 VAL H H 8.029 . 1 379 64 64 VAL HA H 4.218 . 1 380 64 64 VAL HB H 2.120 . 1 381 64 64 VAL C C 176.472 . 1 382 64 64 VAL CA C 62.025 . 1 383 64 64 VAL CB C 32.939 . 1 384 64 64 VAL N N 119.408 . 1 385 65 65 GLY H H 8.346 . 1 386 65 65 GLY HA2 H 4.010 . 1 387 65 65 GLY CA C 44.505 . 1 388 65 65 GLY N N 113.668 . 1 389 66 66 PRO HA H 4.442 . 1 390 66 66 PRO HB3 H 2.281 . 1 391 67 67 GLU H H 8.530 . 1 392 67 67 GLU HA H 4.263 . 1 393 67 67 GLU HB2 H 2.055 . 1 394 67 67 GLU C C 176.620 . 1 395 67 67 GLU CA C 56.748 . 1 396 67 67 GLU CB C 29.932 . 1 397 67 67 GLU N N 121.678 . 1 398 68 68 GLU H H 8.253 . 1 399 68 68 GLU HA H 4.218 . 1 400 68 68 GLU HB2 H 2.042 . 1 401 68 68 GLU HB3 H 2.073 . 1 402 68 68 GLU C C 175.906 . 1 403 68 68 GLU CA C 56.504 . 1 404 68 68 GLU N N 122.360 . 1 405 69 69 GLU H H 8.171 . 1 406 69 69 GLU HA H 4.285 . 1 407 69 69 GLU HB2 H 1.851 . 1 408 69 69 GLU C C 176.732 . 1 409 69 69 GLU CA C 56.524 . 1 410 69 69 GLU CB C 32.840 . 1 411 69 69 GLU N N 123.214 . 1 412 70 70 SER H H 8.339 . 1 413 70 70 SER HA H 4.521 . 1 414 70 70 SER HB3 H 3.863 . 1 415 70 70 SER C C 174.485 . 1 416 70 70 SER CA C 58.081 . 1 417 70 70 SER CB C 63.912 . 1 418 70 70 SER N N 118.567 . 1 419 71 71 VAL H H 8.192 . 1 420 71 71 VAL HA H 4.239 . 1 421 71 71 VAL HB H 2.162 . 1 422 71 71 VAL C C 175.073 . 1 423 71 71 VAL CA C 61.946 . 1 424 71 71 VAL CB C 32.965 . 1 425 71 71 VAL N N 122.380 . 1 426 72 72 ASP H H 7.876 . 1 427 72 72 ASP HA H 4.392 . 1 428 72 72 ASP HB2 H 2.540 . 1 429 72 72 ASP HB3 H 2.666 . 1 430 72 72 ASP C C 180.853 . 1 431 72 72 ASP CA C 55.886 . 1 432 72 72 ASP CB C 42.320 . 1 433 72 72 ASP N N 129.427 . 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $CCPN stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.22282 _T1_coherence_type NzHz _T1_value_units s _Mol_system_component_name 'Lysyl t-RNA synthetase1-72' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ALA N 0.495 0.093 2 5 GLN N 0.520 0.046 3 6 ALA N 0.541 0.031 4 9 VAL N 0.531 0.023 5 10 LYS N 0.478 0.034 6 11 VAL N 0.500 0.035 7 12 ASP N 0.452 0.043 8 13 GLY N 0.433 0.033 9 14 SER N 0.433 0.030 10 15 GLU N 0.489 0.037 11 17 LYS N 0.425 0.026 12 19 SER N 0.405 0.029 13 24 LYS N 0.393 0.031 14 25 ARG N 0.395 0.042 15 28 LYS N 0.359 0.031 16 29 ALA N 0.363 0.046 17 30 GLU N 0.448 0.044 18 31 LYS N 0.521 0.021 19 33 VAL N 0.430 0.019 20 34 ALA N 0.433 0.025 21 35 GLU N 0.476 0.035 22 36 LYS N 0.422 0.030 23 41 LYS N 0.445 0.011 24 42 GLU N 0.360 0.042 25 45 GLU N 0.700 0.021 26 46 LYS N 0.443 0.041 27 47 GLN N 0.482 0.093 28 49 SER N 0.435 0.038 29 51 ALA N 0.423 0.031 30 52 THR N 0.491 0.034 31 53 ALA N 0.434 0.045 32 54 ALA N 0.482 0.046 33 56 THR N 0.465 0.042 34 59 THR N 0.602 0.066 35 60 THR N 0.409 0.031 36 61 ASP N 0.444 0.042 37 62 ASN N 0.446 0.062 38 63 GLY N 0.479 0.039 39 65 GLY N 0.577 0.020 40 67 GLU N 0.571 0.027 41 68 GLU N 0.536 0.020 42 70 SER N 0.550 0.054 43 72 ASP N 0.979 0.004 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $CCPN stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.22282 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'Lysyl t-RNA synthetase1-72' _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 2 ALA N 0.451 0.058 . . 2 5 GLN N 0.449 0.018 . . 3 6 ALA N 0.402 0.005 . . 4 9 VAL N 0.384 0.011 . . 5 10 LYS N 0.393 0.017 . . 6 11 VAL N 0.363 0.012 . . 7 12 ASP N 0.348 0.009 . . 8 13 GLY N 0.242 0.009 . . 9 14 SER N 0.348 0.023 . . 10 15 GLU N 0.342 0.010 . . 11 17 LYS N 0.281 0.015 . . 12 19 SER N 0.316 0.016 . . 13 24 LYS N 0.204 0.005 . . 14 25 ARG N 0.199 0.009 . . 15 28 LYS N 0.206 0.004 . . 16 29 ALA N 0.217 0.006 . . 17 30 GLU N 0.225 0.006 . . 18 31 LYS N 0.417 0.014 . . 19 33 VAL N 0.220 0.009 . . 20 34 ALA N 0.195 0.004 . . 21 35 GLU N 0.314 0.005 . . 22 36 LYS N 0.210 0.005 . . 23 41 LYS N 0.456 0.021 . . 24 42 GLU N 0.235 0.006 . . 25 45 GLU N 0.398 0.045 . . 26 46 LYS N 0.307 0.012 . . 27 47 GLN N 0.447 0.068 . . 28 49 SER N 0.260 0.009 . . 29 51 ALA N 0.224 0.006 . . 30 52 THR N 0.312 0.006 . . 31 53 ALA N 0.356 0.014 . . 32 54 ALA N 0.346 0.009 . . 33 56 THR N 0.354 0.012 . . 34 59 THR N 0.375 0.036 . . 35 60 THR N 0.347 0.018 . . 36 61 ASP N 0.315 0.011 . . 37 62 ASN N 0.305 0.005 . . 38 63 GLY N 0.248 0.004 . . 39 65 GLY N 0.431 0.015 . . 40 67 GLU N 0.394 0.008 . . 41 68 GLU N 0.381 0.019 . . 42 70 SER N 0.416 0.015 . . 43 72 ASP N 0.644 0.034 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $CCPN stop_ loop_ _Experiment_label '2D 1H-15N HSQC-NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.22282 _Mol_system_component_name 'Lysyl t-RNA synthetase1-72' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description 'amide 15N NOE' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 5 GLN -2.247 0.199 6 ALA -1.993 0.181 9 VAL -0.454 0.021 10 LYS -0.759 0.046 11 VAL -0.824 0.046 12 ASP -0.616 0.061 13 GLY -0.467 0.095 14 SER -0.384 0.068 15 GLU -0.430 0.048 17 LYS -0.270 0.054 19 SER -0.346 0.059 24 LYS 0.168 0.035 25 ARG 0.185 0.046 28 LYS 0.159 0.047 29 ALA 0.155 0.062 30 GLU -0.203 0.043 31 LYS -0.949 0.045 33 VAL -0.085 0.031 34 ALA -0.103 0.045 35 GLU -0.728 0.030 36 LYS -0.082 0.046 41 LYS -0.420 0.195 42 GLU -0.133 0.041 45 GLU -0.428 0.177 49 SER -0.114 0.042 51 ALA -0.218 0.035 52 THR -0.653 0.064 53 ALA -0.657 0.091 54 ALA -0.796 0.043 56 THR -0.994 0.091 59 THR -0.527 0.158 60 THR -0.884 0.114 61 ASP -0.777 0.076 62 ASN -1.139 0.163 63 GLY -0.864 0.079 65 GLY -0.741 0.041 67 GLU -0.790 0.036 68 GLU -0.775 0.034 70 SER -1.602 0.091 72 ASP -1.705 0.030 stop_ save_