data_5720 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N Relaxation Data of Escherichia coli Adenylate Kinase in Ligand-Free Form Obtained at Magnetic Fields of 14.10 and 18.79 T ; _BMRB_accession_number 5720 _BMRB_flat_file_name bmr5720.str _Entry_type original _Submission_date 2003-03-09 _Accession_date 2003-03-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; This depositions contains 15N T1, 15N T2, 15N-{1H} NOE and eta(xy) data for Adenylate kinase from E. coli in the ligand-free form and in complex with two-substrate mimicking inhibitor Ap5A, obtained at two magnetic fields of 14.10 T and 18.79 T. 15N-{1H} NOE values were corrected for incomplete 1H T1 recovery with equation by S. Grzeciek & A. Bax. JACS, 1993, 115, 12593-12594. (The values of corrections were significantly less than experimental errors.) The cross-correlation rates, eta(xy), between 15N CSA and 15N-1H dipolar interaction were calculated as the median values obtained with dephasing delays 2*delta of 14 ms (<15NT2>/8) and 32 ms. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shapiro Yury E. . 2 Kahana Edith . . 3 Tugarinov Vitali . . 4 Liang Zhichun . . 5 Freed Jack H. . 6 Meirovitch Eva . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 2 T2_relaxation 2 heteronucl_NOE 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 191 "15N chemical shifts" 191 "T1 relaxation values" 382 "T2 relaxation values" 382 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-05-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5746 'adenylate kinase in complex with inhibitor Ap5A' stop_ _Original_release_date 2003-05-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Domain Flexibility in Ligand-Free and Inhibitor-Bound Escherichia coli Adenylate Kinase Based on a Mode-Coupling Analysis of 15N Spin Relaxation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12009888 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shapiro Yury E. . 2 Kahana Edith . . 3 Tugarinov Vitali . . 4 Liang Zhichun . . 5 Freed Jack H. . 6 Meirovitch Eva . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 41 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6271 _Page_last 6281 _Year 2002 _Details . loop_ _Keyword 'adenylate kinase' '15N spin relaxation' SRLS 'backbone dynamics' 'domain motion' stop_ save_ ################################## # Molecular system description # ################################## save_system_AKeco _Saveframe_category molecular_system _Mol_system_name 'Adenylate Kinase from Escherichia coli' _Abbreviation_common AKeco _Enzyme_commission_number 2.7.4.3 loop_ _Mol_system_component_name _Mol_label 'AKeco kinase' $AKeco stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'transfer of a phosphoryl group from ATP to AMP' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AKeco _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Adenylate Kinase from Escherichia coli' _Abbreviation_common AKeco _Molecular_mass 23571 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 ILE 4 ILE 5 LEU 6 LEU 7 GLY 8 ALA 9 PRO 10 GLY 11 ALA 12 GLY 13 LYS 14 GLY 15 THR 16 GLN 17 ALA 18 GLN 19 PHE 20 ILE 21 MET 22 GLU 23 LYS 24 TYR 25 GLY 26 ILE 27 PRO 28 GLN 29 ILE 30 SER 31 THR 32 GLY 33 ASP 34 MET 35 LEU 36 ARG 37 ALA 38 ALA 39 VAL 40 LYS 41 SER 42 GLY 43 SER 44 GLU 45 LEU 46 GLY 47 LYS 48 GLN 49 ALA 50 LYS 51 ASP 52 ILE 53 MET 54 ASP 55 ALA 56 GLY 57 LYS 58 LEU 59 VAL 60 THR 61 ASP 62 GLU 63 LEU 64 VAL 65 ILE 66 ALA 67 LEU 68 VAL 69 LYS 70 GLU 71 ARG 72 ILE 73 ALA 74 GLN 75 GLU 76 ASP 77 CYS 78 ARG 79 ASN 80 GLY 81 PHE 82 LEU 83 LEU 84 ASP 85 GLY 86 PHE 87 PRO 88 ARG 89 THR 90 ILE 91 PRO 92 GLN 93 ALA 94 ASP 95 ALA 96 MET 97 LYS 98 GLU 99 ALA 100 GLY 101 ILE 102 ASN 103 VAL 104 ASP 105 TYR 106 VAL 107 LEU 108 GLU 109 PHE 110 ASP 111 VAL 112 PRO 113 ASP 114 GLU 115 LEU 116 ILE 117 VAL 118 ASP 119 ARG 120 ILE 121 VAL 122 GLY 123 ARG 124 ARG 125 VAL 126 HIS 127 ALA 128 PRO 129 SER 130 GLY 131 ARG 132 VAL 133 TYR 134 HIS 135 VAL 136 LYS 137 PHE 138 ASN 139 PRO 140 PRO 141 LYS 142 VAL 143 GLU 144 GLY 145 LYS 146 ASP 147 ASP 148 VAL 149 THR 150 GLY 151 GLU 152 GLU 153 LEU 154 THR 155 THR 156 ARG 157 LYS 158 ASP 159 ASP 160 GLN 161 GLU 162 GLU 163 THR 164 VAL 165 ARG 166 LYS 167 ARG 168 LEU 169 VAL 170 GLU 171 TYR 172 HIS 173 GLN 174 MET 175 THR 176 ALA 177 PRO 178 LEU 179 ILE 180 GLY 181 TYR 182 TYR 183 SER 184 LYS 185 GLU 186 ALA 187 GLU 188 ALA 189 GLY 190 ASN 191 THR 192 LYS 193 TYR 194 ALA 195 LYS 196 VAL 197 ASP 198 GLY 199 THR 200 LYS 201 PRO 202 VAL 203 ALA 204 GLU 205 VAL 206 ARG 207 ALA 208 ASP 209 LEU 210 GLU 211 LYS 212 ILE 213 LEU 214 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 18683 adenylate_kinase 100.00 214 100.00 100.00 1.28e-151 BMRB 18685 adenylate_kinase 100.00 214 100.00 100.00 1.28e-151 BMRB 18686 adenylate_kinase 100.00 214 99.53 99.53 8.78e-151 BMRB 18687 adenylate_kinase 100.00 214 100.00 100.00 1.28e-151 BMRB 19089 adenylate_kinase_wild_type 100.00 214 100.00 100.00 1.28e-151 BMRB 19090 adenylate_kinase_wild_type 100.00 214 100.00 100.00 1.28e-151 BMRB 19091 adenylate_kinase_wild_type 100.00 214 100.00 100.00 1.28e-151 BMRB 19092 adenylate_kinase_R156K_mutant 100.00 214 99.53 100.00 3.35e-151 BMRB 19093 adenylate_kinase_R156K_mutant 100.00 214 99.53 100.00 3.35e-151 BMRB 4152 AKe 100.00 214 100.00 100.00 1.28e-151 BMRB 4193 Akeco 100.00 214 100.00 100.00 1.28e-151 BMRB 4350 AK 100.00 214 100.00 100.00 1.28e-151 BMRB 5746 AKeco 100.00 214 100.00 100.00 1.28e-151 PDB 1AKE "Structure Of The Complex Between Adenylate Kinase From Escherichia Coli And The Inhibitor Ap5a Refined At 1.9 Angstroms Resolut" 100.00 214 100.00 100.00 1.28e-151 PDB 1ANK "The Closed Conformation Of A Highly Flexible Protein: The Structure Of E. Cloi Adenylate Kinase With Bound Amp And Amppnp" 100.00 214 100.00 100.00 1.28e-151 PDB 1E4V "Mutant G10v Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" 100.00 214 99.53 99.53 1.89e-150 PDB 1E4Y "Mutant P9l Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" 100.00 214 99.07 99.07 3.24e-149 PDB 2ECK "Structure Of Phosphotransferase" 100.00 214 100.00 100.00 1.28e-151 PDB 3HPQ "Crystal Structure Of Wild-Type Adenylate Kinase From E. Coli, In Complex With Ap5a" 100.00 214 100.00 100.00 1.28e-151 PDB 3HPR "Crystal Structure Of V148g Adenylate Kinase From E. Coli, In Complex With Ap5a" 100.00 214 99.53 99.53 1.79e-150 PDB 4AKE "Adenylate Kinase" 100.00 214 100.00 100.00 1.28e-151 PDB 4JZK "Crystal Structure Of Adenylate Kinase Of E. Coli With Adp/amp Bound" 100.00 214 100.00 100.00 1.28e-151 DBJ BAA14303 "adenylate kinase [Escherichia coli K-12]" 50.00 107 100.00 100.00 7.90e-69 DBJ BAB33950 "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" 100.00 214 100.00 100.00 1.28e-151 DBJ BAE76253 "adenylate kinase [Escherichia coli str. K-12 substr. W3110]" 100.00 214 100.00 100.00 1.28e-151 DBJ BAG76023 "adenylate kinase [Escherichia coli SE11]" 100.00 214 100.00 100.00 1.28e-151 DBJ BAI23848 "adenylate kinase Adk [Escherichia coli O26:H11 str. 11368]" 100.00 214 100.00 100.00 1.28e-151 EMBL CAA26840 "unnamed protein product [Escherichia coli]" 100.00 214 100.00 100.00 1.28e-151 EMBL CAF33430 "adenylate kinase [Escherichia coli]" 71.96 154 100.00 100.00 2.72e-106 EMBL CAF33431 "adenylate kinase [Escherichia coli]" 71.96 154 100.00 100.00 2.72e-106 EMBL CAF33432 "adenylate kinase [Escherichia coli]" 71.96 154 100.00 100.00 2.72e-106 EMBL CAF33433 "adenylate kinase [Escherichia coli]" 71.96 154 100.00 100.00 2.72e-106 GB AAA23461 "adk ORF [Escherichia coli]" 100.00 214 100.00 100.00 1.28e-151 GB AAB40228 "adenylate kinase [Escherichia coli]" 100.00 233 100.00 100.00 4.33e-152 GB AAC73576 "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" 100.00 214 100.00 100.00 1.28e-151 GB AAG54823 "adenylate kinase activity; pleiotropic effects on glycerol-3-phosphate acyltransferase activity [Escherichia coli O157:H7 str. " 100.00 214 100.00 100.00 1.28e-151 GB AAM94352 "adenylate kinase [Escherichia coli]" 79.91 171 100.00 100.00 9.13e-120 REF NP_286215 "adenylate kinase [Escherichia coli O157:H7 str. EDL933]" 100.00 214 100.00 100.00 1.28e-151 REF NP_308554 "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" 100.00 214 100.00 100.00 1.28e-151 REF NP_415007 "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" 100.00 214 100.00 100.00 1.28e-151 REF NP_706367 "adenylate kinase [Shigella flexneri 2a str. 301]" 100.00 214 99.53 99.53 1.19e-150 REF NP_752528 "adenylate kinase [Escherichia coli CFT073]" 100.00 214 99.53 99.53 8.88e-151 SP A7ZIN4 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.28e-151 SP A7ZXD2 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.28e-151 SP B1IZC0 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.28e-151 SP B1LJN2 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.28e-151 SP B1XFR1 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.28e-151 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Cell_line _Plasmid $AKeco 'E. coli' 562 Eubacteria . Escherichia coli HfrP4x8 HB101 pEAK91 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 $AKeco 'recombinant technology' . . . . . 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 $AKeco 1.75 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task processing stop_ _Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., and Bax, A. (1995) J. Biomol. NMR 6, 277-293. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_R1_inversion_recovery_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R1 inversion recovery' _Sample_label $sample_1 save_ save_15N_R2_CPMG_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R2 CPMG' _Sample_label $sample_1 save_ save_15N-{1H}_steady-state_NOE_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-{1H} steady-state NOE' _Sample_label $sample_1 save_ save_15N_CSA_-_15N-1H_cross-correlation_rate,_eta(xy)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N CSA - 15N-1H cross-correlation rate, eta(xy)' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 n/a temperature 303 0.05 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label H2O H 1 protons ppm 4.725 . indirect . . . 1.0 $entry_citation $entry_citation NH3 N 15 nitrogen ppm 117.5 . indirect . . . 1.0 $entry_citation $entry_citation 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'AKeco kinase' _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 . 2 ARG H H 9.618 0.002 . 2 . 2 ARG N N 126.569 0.010 . 3 . 3 ILE H H 8.589 0.002 . 4 . 3 ILE N N 124.356 0.010 . 5 . 4 ILE H H 8.647 0.002 . 6 . 4 ILE N N 125.720 0.010 . 7 . 5 LEU H H 8.392 0.002 . 8 . 5 LEU N N 128.338 0.010 . 9 . 6 LEU H H 9.320 0.002 . 10 . 6 LEU N N 126.774 0.010 . 11 . 7 GLY H H 8.104 0.002 . 12 . 7 GLY N N 107.934 0.010 . 13 . 8 ALA H H 9.186 0.002 . 14 . 8 ALA N N 126.381 0.010 . 15 . 11 ALA H H 8.207 0.002 . 16 . 11 ALA N N 120.612 0.010 . 17 . 12 GLY H H 8.400 0.002 . 18 . 12 GLY N N 120.367 0.010 . 19 . 15 THR H H 7.565 0.002 . 20 . 15 THR N N 116.190 0.010 . 21 . 16 GLN H H 7.080 0.002 . 22 . 16 GLN N N 117.737 0.010 . 23 . 17 ALA H H 8.223 0.002 . 24 . 17 ALA N N 122.264 0.010 . 25 . 18 GLN H H 7.650 0.002 . 26 . 18 GLN N N 114.441 0.010 . 27 . 19 PHE H H 7.026 0.002 . 28 . 19 PHE N N 118.559 0.010 . 29 . 20 ILE H H 8.036 0.002 . 30 . 20 ILE N N 119.747 0.010 . 31 . 21 MET H H 8.362 0.002 . 32 . 21 MET N N 118.194 0.010 . 33 . 22 GLU H H 7.814 0.002 . 34 . 22 GLU N N 117.281 0.010 . 35 . 23 LYS H H 8.270 0.002 . 36 . 23 LYS N N 119.753 0.010 . 37 . 24 TYR H H 7.784 0.002 . 38 . 24 TYR N N 112.138 0.010 . 39 . 25 GLY H H 7.681 0.002 . 40 . 25 GLY N N 110.696 0.010 . 41 . 26 ILE H H 7.218 0.002 . 42 . 26 ILE N N 111.004 0.010 . 43 . 28 GLN H H 8.192 0.002 . 44 . 28 GLN N N 118.762 0.010 . 45 . 29 ILE H H 9.401 0.002 . 46 . 29 ILE N N 127.030 0.010 . 47 . 30 SER H H 8.284 0.002 . 48 . 30 SER N N 120.011 0.010 . 49 . 31 THR H H 8.229 0.002 . 50 . 31 THR N N 122.620 0.010 . 51 . 32 GLY H H 8.716 0.002 . 52 . 32 GLY N N 109.536 0.010 . 53 . 33 ASP H H 7.479 0.002 . 54 . 33 ASP N N 121.158 0.010 . 55 . 34 MET H H 8.316 0.002 . 56 . 34 MET N N 120.256 0.010 . 57 . 35 LEU H H 8.386 0.002 . 58 . 35 LEU N N 120.897 0.010 . 59 . 36 ARG H H 7.699 0.002 . 60 . 36 ARG N N 117.347 0.010 . 61 . 37 ALA H H 8.036 0.002 . 62 . 37 ALA N N 119.747 0.010 . 63 . 38 ALA H H 8.080 0.002 . 64 . 38 ALA N N 121.502 0.010 . 65 . 39 VAL H H 8.050 0.002 . 66 . 39 VAL N N 116.389 0.010 . 67 . 40 LYS H H 7.674 0.002 . 68 . 40 LYS N N 118.734 0.010 . 69 . 41 SER H H 7.907 0.002 . 70 . 41 SER N N 113.183 0.010 . 71 . 42 GLY H H 7.892 0.002 . 72 . 42 GLY N N 109.342 0.010 . 73 . 43 SER H H 7.846 0.002 . 74 . 43 SER N N 114.931 0.010 . 75 . 44 GLU H H 8.943 0.002 . 76 . 44 GLU N N 122.286 0.010 . 77 . 45 LEU H H 8.444 0.002 . 78 . 45 LEU N N 118.795 0.010 . 79 . 46 GLY H H 8.100 0.002 . 80 . 46 GLY N N 107.529 0.010 . 81 . 47 LYS H H 8.365 0.002 . 82 . 47 LYS N N 121.824 0.010 . 83 . 48 GLN H H 7.580 0.002 . 84 . 48 GLN N N 118.297 0.010 . 85 . 49 ALA H H 8.316 0.002 . 86 . 49 ALA N N 120.256 0.010 . 87 . 50 LYS H H 8.429 0.002 . 88 . 50 LYS N N 119.184 0.010 . 89 . 51 ASP H H 7.974 0.002 . 90 . 51 ASP N N 117.977 0.010 . 91 . 52 ILE H H 7.557 0.002 . 92 . 52 ILE N N 120.430 0.010 . 93 . 53 MET H H 8.362 0.002 . 94 . 53 MET N N 118.967 0.010 . 95 . 54 ASP H H 9.240 0.002 . 96 . 54 ASP N N 121.669 0.010 . 97 . 55 ALA H H 7.309 0.002 . 98 . 55 ALA N N 119.420 0.010 . 99 . 56 GLY H H 8.029 0.002 . 100 . 56 GLY N N 107.245 0.010 . 101 . 57 LYS H H 7.522 0.002 . 102 . 57 LYS N N 118.895 0.010 . 103 . 58 LEU H H 7.877 0.002 . 104 . 58 LEU N N 118.923 0.010 . 105 . 59 VAL H H 8.286 0.002 . 106 . 59 VAL N N 120.971 0.010 . 107 . 60 THR H H 7.013 0.002 . 108 . 60 THR N N 115.970 0.010 . 109 . 61 ASP H H 8.894 0.002 . 110 . 61 ASP N N 121.443 0.010 . 111 . 62 GLU H H 8.748 0.002 . 112 . 62 GLU N N 116.693 0.010 . 113 . 63 LEU H H 7.452 0.002 . 114 . 63 LEU N N 121.918 0.010 . 115 . 64 VAL H H 7.906 0.002 . 116 . 64 VAL N N 118.049 0.010 . 117 . 65 ILE H H 8.374 0.002 . 118 . 65 ILE N N 117.998 0.010 . 119 . 66 ALA H H 7.582 0.002 . 120 . 66 ALA N N 122.117 0.010 . 121 . 67 LEU H H 8.256 0.002 . 122 . 67 LEU N N 119.364 0.010 . 123 . 68 VAL H H 8.512 0.002 . 124 . 68 VAL N N 122.609 0.010 . 125 . 69 LYS H H 8.362 0.002 . 126 . 69 LYS N N 118.396 0.010 . 127 . 71 ARG H H 8.172 0.002 . 128 . 71 ARG N N 120.377 0.010 . 129 . 72 ILE H H 8.222 0.002 . 130 . 72 ILE N N 110.318 0.010 . 131 . 73 ALA H H 7.055 0.002 . 132 . 73 ALA N N 121.895 0.010 . 133 . 74 GLN H H 7.261 0.002 . 134 . 74 GLN N N 116.313 0.010 . 135 . 75 GLU H H 8.979 0.002 . 136 . 75 GLU N N 121.692 0.010 . 137 . 77 CYS H H 7.723 0.002 . 138 . 77 CYS N N 117.575 0.010 . 139 . 78 ARG H H 7.687 0.002 . 140 . 78 ARG N N 122.060 0.010 . 141 . 79 ASN H H 8.869 0.002 . 142 . 79 ASN N N 114.539 0.010 . 143 . 80 GLY H H 7.668 0.002 . 144 . 80 GLY N N 108.221 0.010 . 145 . 81 PHE H H 7.449 0.002 . 146 . 81 PHE N N 108.166 0.010 . 147 . 82 LEU H H 8.844 0.002 . 148 . 82 LEU N N 121.884 0.010 . 149 . 83 LEU H H 9.499 0.002 . 150 . 83 LEU N N 127.673 0.010 . 151 . 84 ASP H H 8.686 0.002 . 152 . 84 ASP N N 124.093 0.010 . 153 . 85 GLY H H 8.955 0.002 . 154 . 85 GLY N N 112.712 0.010 . 155 . 86 PHE H H 7.380 0.002 . 156 . 86 PHE N N 119.703 0.010 . 157 . 88 ARG H H 8.601 0.002 . 158 . 88 ARG N N 113.816 0.010 . 159 . 89 THR H H 7.116 0.002 . 160 . 89 THR N N 106.352 0.010 . 161 . 90 ILE H H 9.024 0.002 . 162 . 90 ILE N N 121.030 0.010 . 163 . 92 GLN H H 7.263 0.002 . 164 . 92 GLN N N 115.999 0.010 . 165 . 93 ALA H H 7.748 0.002 . 166 . 93 ALA N N 124.359 0.010 . 167 . 94 ASP H H 8.808 0.002 . 168 . 94 ASP N N 119.144 0.010 . 169 . 95 ALA H H 8.070 0.002 . 170 . 95 ALA N N 122.536 0.010 . 171 . 96 MET H H 8.256 0.002 . 172 . 96 MET N N 119.364 0.010 . 173 . 97 LYS H H 7.616 0.002 . 174 . 97 LYS N N 120.322 0.010 . 175 . 98 GLU H H 8.461 0.002 . 176 . 98 GLU N N 120.982 0.010 . 177 . 99 ALA H H 7.485 0.002 . 178 . 99 ALA N N 118.268 0.010 . 179 . 100 GLY H H 7.871 0.002 . 180 . 100 GLY N N 106.170 0.010 . 181 . 101 ILE H H 8.162 0.002 . 182 . 101 ILE N N 121.578 0.010 . 183 . 102 ASN H H 7.907 0.002 . 184 . 102 ASN N N 123.302 0.010 . 185 . 103 VAL H H 8.388 0.002 . 186 . 103 VAL N N 112.529 0.010 . 187 . 104 ASP H H 8.541 0.002 . 188 . 104 ASP N N 123.927 0.010 . 189 . 105 TYR H H 7.654 0.002 . 190 . 105 TYR N N 114.182 0.010 . 191 . 106 VAL H H 8.953 0.002 . 192 . 106 VAL N N 122.913 0.010 . 193 . 107 LEU H H 8.934 0.002 . 194 . 107 LEU N N 124.313 0.010 . 195 . 108 GLU H H 8.738 0.002 . 196 . 108 GLU N N 123.980 0.010 . 197 . 109 PHE H H 9.328 0.002 . 198 . 109 PHE N N 130.298 0.010 . 199 . 110 ASP H H 8.756 0.002 . 200 . 110 ASP N N 127.916 0.010 . 201 . 111 VAL H H 7.394 0.002 . 202 . 111 VAL N N 125.639 0.010 . 203 . 113 ASP H H 8.836 0.002 . 204 . 113 ASP N N 123.572 0.010 . 205 . 114 GLU H H 8.986 0.002 . 206 . 114 GLU N N 114.031 0.010 . 207 . 115 LEU H H 7.113 0.002 . 208 . 115 LEU N N 118.742 0.010 . 209 . 116 ILE H H 7.405 0.002 . 210 . 116 ILE N N 120.649 0.010 . 211 . 117 VAL H H 8.299 0.002 . 212 . 117 VAL N N 116.648 0.010 . 213 . 118 ASP H H 7.714 0.002 . 214 . 118 ASP N N 116.662 0.010 . 215 . 120 ILE H H 8.030 0.002 . 216 . 120 ILE N N 118.389 0.010 . 217 . 121 VAL H H 8.939 0.002 . 218 . 121 VAL N N 114.833 0.010 . 219 . 122 GLY H H 7.387 0.002 . 220 . 122 GLY N N 105.484 0.010 . 221 . 123 ARG H H 7.688 0.002 . 222 . 123 ARG N N 120.227 0.010 . 223 . 124 ARG H H 8.849 0.002 . 224 . 124 ARG N N 125.078 0.010 . 225 . 125 VAL H H 9.300 0.002 . 226 . 125 VAL N N 117.742 0.010 . 227 . 126 HIS H H 9.212 0.002 . 228 . 126 HIS N N 126.309 0.010 . 229 . 127 ALA H H 9.042 0.002 . 230 . 127 ALA N N 129.243 0.010 . 231 . 129 SER H H 6.785 0.002 . 232 . 129 SER N N 107.022 0.010 . 233 . 130 GLY H H 8.591 0.002 . 234 . 130 GLY N N 112.638 0.010 . 235 . 131 ARG H H 8.443 0.002 . 236 . 131 ARG N N 121.660 0.010 . 237 . 132 VAL H H 7.906 0.002 . 238 . 132 VAL N N 119.658 0.010 . 239 . 133 TYR H H 9.226 0.002 . 240 . 133 TYR N N 124.018 0.010 . 241 . 134 HIS H H 8.400 0.002 . 242 . 134 HIS N N 120.367 0.010 . 243 . 136 LYS H H 9.514 0.002 . 244 . 136 LYS N N 119.476 0.010 . 245 . 137 PHE H H 8.197 0.002 . 246 . 137 PHE N N 116.477 0.010 . 247 . 138 ASN H H 8.601 0.002 . 248 . 138 ASN N N 113.816 0.010 . 249 . 141 LYS H H 10.088 0.002 . 250 . 141 LYS N N 123.722 0.010 . 251 . 142 VAL H H 8.832 0.002 . 252 . 142 VAL N N 120.159 0.010 . 253 . 143 GLU H H 8.120 0.002 . 254 . 143 GLU N N 125.092 0.010 . 255 . 144 GLY H H 8.842 0.002 . 256 . 144 GLY N N 111.169 0.010 . 257 . 145 LYS H H 7.967 0.002 . 258 . 145 LYS N N 118.832 0.010 . 259 . 146 ASP H H 9.027 0.002 . 260 . 146 ASP N N 119.436 0.010 . 261 . 147 ASP H H 7.871 0.002 . 262 . 147 ASP N N 126.673 0.010 . 263 . 148 VAL H H 6.347 0.002 . 264 . 148 VAL N N 114.516 0.010 . 265 . 149 THR H H 7.473 0.002 . 266 . 149 THR N N 105.037 0.010 . 267 . 150 GLY H H 7.852 0.002 . 268 . 150 GLY N N 110.628 0.010 . 269 . 151 GLU H H 7.660 0.002 . 270 . 151 GLU N N 118.209 0.010 . 271 . 152 GLU H H 8.670 0.002 . 272 . 152 GLU N N 119.147 0.010 . 273 . 153 LEU H H 7.891 0.002 . 274 . 153 LEU N N 120.388 0.010 . 275 . 154 THR H H 9.304 0.002 . 276 . 154 THR N N 113.930 0.010 . 277 . 155 THR H H 8.358 0.002 . 278 . 155 THR N N 115.348 0.010 . 279 . 156 ARG H H 9.784 0.002 . 280 . 156 ARG N N 126.751 0.010 . 281 . 158 ASP H H 8.356 0.002 . 282 . 158 ASP N N 114.051 0.010 . 283 . 159 ASP H H 7.412 0.002 . 284 . 159 ASP N N 116.179 0.010 . 285 . 160 GLN H H 7.031 0.002 . 286 . 160 GLN N N 116.822 0.010 . 287 . 161 GLU H H 9.190 0.002 . 288 . 161 GLU N N 124.031 0.010 . 289 . 162 GLU H H 9.243 0.002 . 290 . 162 GLU N N 115.980 0.010 . 291 . 163 THR H H 7.183 0.002 . 292 . 163 THR N N 115.814 0.010 . 293 . 164 VAL H H 8.229 0.002 . 294 . 164 VAL N N 122.620 0.010 . 295 . 165 ARG H H 8.744 0.002 . 296 . 165 ARG N N 116.391 0.010 . 297 . 166 LYS H H 7.707 0.002 . 298 . 166 LYS N N 119.522 0.010 . 299 . 167 ARG H H 8.030 0.002 . 300 . 167 ARG N N 118.389 0.010 . 301 . 170 GLU H H 7.967 0.002 . 302 . 170 GLU N N 118.832 0.010 . 303 . 172 HIS H H 8.832 0.002 . 304 . 172 HIS N N 120.159 0.010 . 305 . 173 GLN H H 8.404 0.002 . 306 . 173 GLN N N 118.361 0.010 . 307 . 174 MET H H 7.788 0.002 . 308 . 174 MET N N 114.961 0.010 . 309 . 175 THR H H 8.194 0.002 . 310 . 175 THR N N 112.805 0.010 . 311 . 176 ALA H H 8.383 0.002 . 312 . 176 ALA N N 125.602 0.010 . 313 . 178 LEU H H 6.987 0.002 . 314 . 178 LEU N N 118.885 0.010 . 315 . 179 ILE H H 8.400 0.002 . 316 . 179 ILE N N 120.367 0.010 . 317 . 180 GLY H H 7.858 0.002 . 318 . 180 GLY N N 107.182 0.010 . 319 . 181 TYR H H 7.907 0.002 . 320 . 181 TYR N N 123.302 0.010 . 321 . 182 TYR H H 8.870 0.002 . 322 . 182 TYR N N 118.376 0.010 . 323 . 183 SER H H 8.488 0.002 . 324 . 183 SER N N 116.663 0.010 . 325 . 184 LYS H H 7.448 0.002 . 326 . 184 LYS N N 122.944 0.010 . 327 . 185 GLU H H 7.979 0.002 . 328 . 185 GLU N N 120.405 0.010 . 329 . 186 ALA H H 8.348 0.002 . 330 . 186 ALA N N 122.316 0.010 . 331 . 187 GLU H H 7.973 0.002 . 332 . 187 GLU N N 121.576 0.010 . 333 . 188 ALA H H 7.475 0.002 . 334 . 188 ALA N N 116.744 0.010 . 335 . 189 GLY H H 7.808 0.002 . 336 . 189 GLY N N 104.762 0.010 . 337 . 190 ASN H H 8.149 0.002 . 338 . 190 ASN N N 116.746 0.010 . 339 . 191 THR H H 7.526 0.002 . 340 . 191 THR N N 112.695 0.010 . 341 . 192 LYS H H 7.840 0.002 . 342 . 192 LYS N N 122.203 0.010 . 343 . 193 TYR H H 8.263 0.002 . 344 . 193 TYR N N 123.412 0.010 . 345 . 194 ALA H H 8.284 0.002 . 346 . 194 ALA N N 129.774 0.010 . 347 . 195 LYS H H 8.265 0.002 . 348 . 195 LYS N N 122.024 0.010 . 349 . 196 VAL H H 9.117 0.002 . 350 . 196 VAL N N 125.587 0.010 . 351 . 197 ASP H H 8.739 0.002 . 352 . 197 ASP N N 124.454 0.010 . 353 . 198 GLY H H 8.362 0.002 . 354 . 198 GLY N N 111.555 0.010 . 355 . 199 THR H H 8.659 0.002 . 356 . 199 THR N N 111.184 0.010 . 357 . 200 LYS H H 6.554 0.002 . 358 . 200 LYS N N 121.182 0.010 . 359 . 202 VAL H H 8.432 0.002 . 360 . 202 VAL N N 122.885 0.010 . 361 . 203 ALA H H 8.808 0.002 . 362 . 203 ALA N N 119.144 0.010 . 363 . 204 GLU H H 7.408 0.002 . 364 . 204 GLU N N 117.226 0.010 . 365 . 205 VAL H H 7.861 0.002 . 366 . 205 VAL N N 120.829 0.010 . 367 . 206 ARG H H 7.946 0.002 . 368 . 206 ARG N N 117.634 0.010 . 369 . 207 ALA H H 7.230 0.002 . 370 . 207 ALA N N 120.007 0.010 . 371 . 208 ASP H H 8.146 0.002 . 372 . 208 ASP N N 120.892 0.010 . 373 . 209 LEU H H 8.513 0.002 . 374 . 209 LEU N N 120.012 0.010 . 375 . 210 GLU H H 8.468 0.002 . 376 . 210 GLU N N 118.211 0.010 . 377 . 212 ILE H H 7.585 0.002 . 378 . 212 ILE N N 118.676 0.010 . 379 . 213 LEU H H 8.120 0.002 . 380 . 213 LEU N N 116.687 0.010 . 381 . 214 GLY H H 7.648 0.002 . 382 . 214 GLY N N 112.068 0.010 . stop_ save_ save_15N_T1_600 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'AKeco kinase' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ARG N 1249.7 37.6 2 3 ILE N 1184.7 35.4 3 4 ILE N 1187.4 35.2 4 5 LEU N 1167.6 34.6 5 6 LEU N 1141.3 33.7 6 7 GLY N 1200.3 36.6 7 8 ALA N 1169.4 34.5 8 11 ALA N 1287.1 38.4 9 12 GLY N 1153.1 34.0 10 15 THR N 1090.3 32.6 11 16 GLN N 1082.9 31.7 12 17 ALA N 1182.6 35.1 13 18 GLN N 1232.2 36.7 14 19 PHE N 1158.0 34.1 15 20 ILE N 1085.7 31.7 16 21 MET N 1091.1 31.8 17 22 GLU N 1220.1 36.2 18 23 LYS N 1150.4 34.1 19 24 TYR N 1225.4 36.6 20 25 GLY N 1305.5 39.2 21 26 ILE N 1338.0 40.4 22 28 GLN N 1221.7 36.4 23 29 ILE N 1162.7 34.5 24 30 SER N 1080.4 31.9 25 31 THR N 1324.6 39.7 26 32 GLY N 1077.3 32.1 27 33 ASP N 1044.9 30.9 28 34 MET N 1125.8 33.2 29 35 LEU N 1114.8 32.6 30 36 ARG N 1167.5 34.4 31 37 ALA N 1085.7 31.7 32 38 ALA N 1126.0 33.1 33 39 VAL N 1141.7 33.6 34 40 LYS N 1116.5 32.6 35 41 SER N 1059.3 31.0 36 42 GLY N 1064.1 31.9 37 43 SER N 1167.1 34.6 38 44 GLU N 1080.9 32.2 39 45 LEU N 1063.8 30.9 40 46 GLY N 1095.5 32.0 41 47 LYS N 1098.0 32.0 42 48 GLN N 1196.9 35.5 43 49 ALA N 1061.2 30.9 44 50 LYS N 1102.4 32.2 45 51 ASP N 1119.3 32.9 46 52 ILE N 1087.0 31.7 47 53 MET N 1153.1 34.0 48 54 ASP N 1139.3 33.4 49 55 ALA N 1143.1 33.7 50 56 GLY N 1068.2 31.0 51 57 LYS N 1126.9 33.1 52 58 LEU N 1161.4 34.2 53 59 VAL N 1216.1 36.2 54 60 THR N 1128.6 33.2 55 61 ASP N 1092.5 32.3 56 62 GLU N 1132.6 33.3 57 63 LEU N 1130.6 33.1 58 64 VAL N 1135.1 33.4 59 65 ILE N 1140.1 33.6 60 66 ALA N 1102.9 32.1 61 67 LEU N 1209.5 36.0 62 68 VAL N 1114.5 32.8 63 69 LYS N 1149.3 33.9 64 71 ARG N 1287.1 38.4 65 72 ILE N 1100.4 32.4 66 73 ALA N 1115.3 32.7 67 74 GLN N 1226.0 36.6 68 75 GLU N 1157.1 35.2 69 77 CYS N 1255.0 37.2 70 78 ARG N 1160.3 34.2 71 79 ASN N 1210.6 36.4 72 80 GLY N 1212.2 36.0 73 81 PHE N 1183.1 35.2 74 82 LEU N 1173.4 34.9 75 83 LEU N 1153.2 34.2 76 84 ASP N 1111.2 32.7 77 85 GLY N 975.0 28.7 78 86 PHE N 1077.9 31.4 79 88 ARG N 1128.9 33.2 80 89 THR N 1192.5 35.3 81 90 ILE N 1201.5 35.8 82 92 GLN N 1247.1 37.0 83 93 ALA N 1163.2 34.4 84 94 ASP N 1219.1 36.5 85 95 ALA N 1245.2 37.2 86 96 MET N 1209.5 36.0 87 97 LYS N 1199.2 35.7 88 98 GLU N 1218.3 36.2 89 99 ALA N 1249.4 37.4 90 100 GLY N 1136.4 33.4 91 101 ILE N 1120.8 32.9 92 102 ASN N 1210.5 36.1 93 103 VAL N 1231.8 36.8 94 104 ASP N 1180.4 35.1 95 105 TYR N 1222.5 36.5 96 106 VAL N 1241.9 37.3 97 107 LEU N 1201.0 35.6 98 108 GLU N 1192.4 35.7 99 109 PHE N 1201.5 35.8 100 110 ASP N 1166.9 34.6 101 111 VAL N 1279.2 38.4 102 113 ASP N 1214.8 36.5 103 114 GLU N 1220.0 36.2 104 115 LEU N 1266.3 37.9 105 116 ILE N 1231.5 36.6 106 117 VAL N 1186.0 35.0 107 118 ASP N 1135.8 33.5 108 120 ILE N 1296.3 38.8 109 121 VAL N 1174.3 34.8 110 122 GLY N 1195.3 35.6 111 123 ARG N 1160.1 34.2 112 124 ARG N 1109.9 32.4 113 125 VAL N 1089.2 31.7 114 126 HIS N 1169.4 34.5 115 127 ALA N 1149.0 33.9 116 129 SER N 1126.6 33.0 117 130 GLY N 1103.7 32.2 118 131 ARG N 1159.2 34.4 119 132 VAL N 1142.3 33.6 120 133 TYR N 1149.3 34.0 121 134 HIS N 1153.1 34.0 122 136 LYS N 1194.8 35.3 123 137 PHE N 1194.9 35.6 124 138 ASN N 1128.9 33.2 125 141 LYS N 1147.1 33.7 126 142 VAL N 1236.3 36.8 127 143 GLU N 1258.8 37.6 128 144 GLY N 1218.6 36.2 129 145 LYS N 1184.2 35.0 130 146 ASP N 1139.7 33.6 131 147 ASP N 1233.3 36.7 132 148 VAL N 1251.8 37.5 133 149 THR N 1232.1 37.0 134 150 GLY N 1130.3 33.1 135 151 GLU N 1293.2 38.6 136 152 GLU N 1179.2 34.9 137 153 LEU N 1250.5 37.6 138 154 THR N 1115.1 32.5 139 155 THR N 1125.9 33.4 140 156 ARG N 1094.1 32.1 141 158 ASP N 1040.2 30.7 142 159 ASP N 1182.2 34.9 143 160 GLN N 1193.0 35.3 144 161 GLU N 1149.3 34.0 145 162 GLU N 1290.5 38.6 146 163 THR N 1350.8 40.7 147 164 VAL N 1324.6 39.7 148 165 ARG N 1274.8 38.2 149 166 LYS N 1319.7 39.5 150 167 ARG N 1296.3 38.8 151 170 GLU N 1184.2 35.0 152 172 HIS N 1236.3 36.8 153 173 GLN N 1287.8 38.5 154 174 MET N 1329.1 40.0 155 175 THR N 1310.4 39.4 156 176 ALA N 1199.3 35.6 157 178 LEU N 1285.7 38.6 158 179 ILE N 1153.1 34.0 159 180 GLY N 1185.4 35.0 160 181 TYR N 1210.5 36.1 161 182 TYR N 1233.2 36.8 162 183 SER N 1161.8 34.3 163 184 LYS N 1184.7 35.1 164 185 GLU N 1229.3 36.6 165 186 ALA N 1198.3 35.5 166 187 GLU N 1159.7 34.2 167 188 ALA N 1147.7 33.8 168 189 GLY N 1279.2 38.3 169 190 ASN N 1244.6 37.2 170 191 THR N 1077.6 31.3 171 192 LYS N 1159.6 34.2 172 193 TYR N 1258.8 37.5 173 194 ALA N 1197.0 35.6 174 195 LYS N 1294.3 38.9 175 196 VAL N 1206.2 35.9 176 197 ASP N 1229.3 36.9 177 198 GLY N 1205.5 36.0 178 199 THR N 1193.0 35.4 179 200 LYS N 1307.7 39.2 180 202 VAL N 1278.3 38.9 181 203 ALA N 1219.1 36.5 182 204 GLU N 1268.1 37.9 183 205 VAL N 1315.9 39.7 184 206 ARG N 1315.5 39.7 185 207 ALA N 1322.7 39.9 186 208 ASP N 1181.6 35.0 187 209 LEU N 1318.9 39.9 188 210 GLU N 1287.8 38.5 189 212 ILE N 1335.2 40.3 190 213 LEU N 1244.6 37.2 191 214 GLY N 1113.1 32.5 stop_ save_ save_15N_T1_800 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 800 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'AKeco kinase' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ARG N 1848.5 51.4 2 3 ILE N 1779.6 49.2 3 4 ILE N 1689.9 47.1 4 5 LEU N 1751.6 47.6 5 6 LEU N 1667.9 45.9 6 7 GLY N 1766.7 50.0 7 8 ALA N 1654.2 45.5 8 11 ALA N 1640.5 45.2 9 12 GLY N 1736.7 47.5 10 15 THR N 1573.1 42.4 11 16 GLN N 1512.6 41.3 12 17 ALA N 1579.0 43.4 13 18 GLN N 1749.4 48.0 14 19 PHE N 1642.7 45.3 15 20 ILE N 1480.3 40.6 16 21 MET N 1725.5 47.3 17 22 GLU N 1754.9 47.7 18 23 LYS N 1715.9 46.7 19 24 TYR N 1806.7 49.3 20 25 GLY N 1846.4 51.5 21 26 ILE N 1916.1 53.6 22 28 GLN N 1752.2 48.6 23 29 ILE N 1711.8 46.5 24 30 SER N 1548.8 42.7 25 31 THR N 1812.9 50.9 26 32 GLY N 1465.7 42.0 27 33 ASP N 1435.5 39.7 28 34 MET N 1419.3 38.4 29 35 LEU N 1398.6 38.3 30 36 ARG N 1629.4 44.1 31 37 ALA N 1480.3 40.6 32 38 ALA N 1533.3 42.3 33 39 VAL N 1562.9 43.2 34 40 LYS N 1483.2 39.9 35 41 SER N 1403.9 38.8 36 42 GLY N 1397.9 38.6 37 43 SER N 1511.3 41.3 38 44 GLU N 1401.5 39.4 39 45 LEU N 1437.4 38.9 40 46 GLY N 1504.1 41.6 41 47 LYS N 1464.9 39.8 42 48 GLN N 1792.8 49.7 43 49 ALA N 1419.3 38.4 44 50 LYS N 1499.1 40.5 45 51 ASP N 1513.6 40.8 46 52 ILE N 1506.1 40.7 47 53 MET N 1462.3 40.0 48 54 ASP N 1498.0 41.1 49 55 ALA N 1504.5 40.7 50 56 GLY N 1443.7 39.7 51 57 LYS N 1493.9 40.6 52 58 LEU N 1476.6 40.1 53 59 VAL N 1524.3 41.9 54 60 THR N 1492.1 41.1 55 61 ASP N 1554.5 43.3 56 62 GLU N 1607.0 43.8 57 63 LEU N 1583.4 43.0 58 64 VAL N 1633.4 44.7 59 65 ILE N 1669.2 45.6 60 66 ALA N 1582.9 43.0 61 67 LEU N 1323.3 37.4 62 68 VAL N 1621.5 44.3 63 69 LYS N 1634.7 44.7 64 71 ARG N 1803.6 50.0 65 72 ILE N 1607.9 44.0 66 73 ALA N 1599.7 44.0 67 74 GLN N 1779.8 48.6 68 75 GLU N 1682.7 47.3 69 77 CYS N 1802.1 48.8 70 78 ARG N 1646.0 44.6 71 79 ASN N 1723.6 48.6 72 80 GLY N 1724.9 47.1 73 81 PHE N 1709.9 46.4 74 82 LEU N 1759.4 48.0 75 83 LEU N 1721.6 47.2 76 84 ASP N 1614.3 44.0 77 85 GLY N 1337.1 37.3 78 86 PHE N 1515.5 41.0 79 88 ARG N 1564.3 42.9 80 89 THR N 1671.7 46.0 81 90 ILE N 1727.9 47.1 82 92 GLN N 1794.2 49.4 83 93 ALA N 1657.4 45.2 84 94 ASP N 1735.7 47.9 85 95 ALA N 1370.7 38.6 86 96 MET N 1323.3 37.4 87 97 LYS N 1682.9 46.6 88 98 GLU N 1765.4 48.4 89 99 ALA N 1708.7 48.0 90 100 GLY N 1633.5 44.6 91 101 ILE N 1510.6 41.7 92 102 ASN N 1653.0 45.6 93 103 VAL N 1668.2 46.0 94 104 ASP N 1711.6 47.7 95 105 TYR N 1749.4 48.0 96 106 VAL N 1891.7 52.0 97 107 LEU N 1805.9 49.2 98 108 GLU N 1819.9 50.3 99 109 PHE N 1818.2 50.1 100 110 ASP N 1715.0 47.0 101 111 VAL N 1886.7 52.7 102 113 ASP N 1731.9 47.9 103 114 GLU N 1771.7 48.3 104 115 LEU N 1814.5 50.3 105 116 ILE N 1772.9 48.3 106 117 VAL N 1746.3 47.8 107 118 ASP N 1790.2 49.7 108 120 ILE N 1871.0 52.2 109 121 VAL N 1708.0 46.5 110 122 GLY N 1739.0 47.4 111 123 ARG N 1594.0 43.3 112 124 ARG N 1584.8 42.2 113 125 VAL N 1489.4 40.6 114 126 HIS N 1654.2 45.5 115 127 ALA N 1552.1 42.4 116 129 SER N 1505.1 41.3 117 130 GLY N 1483.7 41.0 118 131 ARG N 1505.6 40.7 119 132 VAL N 1526.6 41.8 120 133 TYR N 1544.9 42.4 121 134 HIS N 1598.4 43.0 122 136 LYS N 1602.4 43.6 123 137 PHE N 1677.2 46.2 124 138 ASN N 1564.3 42.9 125 141 LYS N 1585.7 42.8 126 142 VAL N 1702.3 46.2 127 143 GLU N 1693.5 47.0 128 144 GLY N 1711.9 46.5 129 145 LYS N 1615.3 44.4 130 146 ASP N 1583.7 43.0 131 147 ASP N 1722.0 47.0 132 148 VAL N 1692.1 45.7 133 149 THR N 1751.3 48.2 134 150 GLY N 1534.4 41.7 135 151 GLU N 1895.6 52.6 136 152 GLU N 1598.7 44.0 137 153 LEU N 1664.1 45.5 138 154 THR N 1513.2 41.3 139 155 THR N 1559.3 43.3 140 156 ARG N 1493.1 40.8 141 158 ASP N 1395.9 39.0 142 159 ASP N 1649.8 45.0 143 160 GLN N 1596.4 43.8 144 161 GLU N 1817.6 52.2 145 162 GLU N 1770.7 49.3 146 163 THR N 1896.8 52.5 147 164 VAL N 1812.9 50.9 148 165 ARG N 1900.7 53.0 149 166 LYS N 1868.4 51.3 150 167 ARG N 1871.0 52.2 151 170 GLU N 1615.3 44.4 152 172 HIS N 1702.3 46.2 153 173 GLN N 1922.1 53.5 154 174 MET N 1923.3 53.1 155 175 THR N 1851.9 51.8 156 176 ALA N 1679.3 45.9 157 178 LEU N 1823.1 50.9 158 179 ILE N 1598.4 43.0 159 180 GLY N 1721.6 47.2 160 181 TYR N 1653.0 45.6 161 182 TYR N 1829.5 50.0 162 183 SER N 1623.8 44.6 163 184 LYS N 1715.9 47.0 164 185 GLU N 1724.5 47.8 165 186 ALA N 1677.8 46.2 166 187 GLU N 1603.9 44.2 167 188 ALA N 1653.2 44.8 168 189 GLY N 1768.4 48.7 169 190 ASN N 1431.0 40.1 170 191 THR N 1459.1 39.6 171 192 LYS N 1636.9 44.3 172 193 TYR N 1840.0 50.8 173 194 ALA N 1749.6 47.6 174 195 LYS N 1913.0 53.2 175 196 VAL N 1757.0 48.6 176 197 ASP N 1781.1 49.5 177 198 GLY N 1782.6 48.8 178 199 THR N 1680.6 46.1 179 200 LYS N 1844.2 50.9 180 202 VAL N 1808.7 51.6 181 203 ALA N 1735.7 47.9 182 204 GLU N 1832.5 50.6 183 205 VAL N 1772.6 49.6 184 206 ARG N 1927.3 53.4 185 207 ALA N 1908.0 53.2 186 208 ASP N 1901.0 52.9 187 209 LEU N 1978.3 55.5 188 210 GLU N 1886.0 51.8 189 212 ILE N 1901.9 53.1 190 213 LEU N 1754.4 49.0 191 214 GLY N 1415.8 38.1 stop_ save_ save_15N_T2_600 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Ny _T2_value_units ms _Mol_system_component_name 'AKeco kinase' _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 ARG N 54.10 1.29 . . 2 3 ILE N 54.43 1.32 . . 3 4 ILE N 54.49 1.33 . . 4 5 LEU N 51.96 1.21 . . 5 6 LEU N 55.70 1.38 . . 6 7 GLY N 55.81 1.38 . . 7 8 ALA N 55.72 1.37 . . 8 11 ALA N 47.49 1.02 . . 9 12 GLY N 55.43 1.35 . . 10 15 THR N 50.66 1.15 . . 11 16 GLN N 48.95 1.09 . . 12 17 ALA N 50.84 1.17 . . 13 18 GLN N 51.37 1.19 . . 14 19 PHE N 53.30 1.27 . . 15 20 ILE N 53.73 1.28 . . 16 21 MET N 48.22 1.06 . . 17 22 GLU N 49.94 1.12 . . 18 23 LYS N 52.00 1.21 . . 19 24 TYR N 52.13 1.23 . . 20 25 GLY N 48.30 1.06 . . 21 26 ILE N 52.41 1.25 . . 22 28 GLN N 56.11 1.39 . . 23 29 ILE N 55.82 1.39 . . 24 30 SER N 57.81 1.47 . . 25 31 THR N 43.55 1.00 . . 26 32 GLY N 51.90 1.20 . . 27 33 ASP N 57.37 1.44 . . 28 34 MET N 52.35 1.22 . . 29 35 LEU N 51.91 1.20 . . 30 36 ARG N 53.39 1.27 . . 31 37 ALA N 53.73 1.28 . . 32 38 ALA N 54.69 1.33 . . 33 39 VAL N 52.91 1.26 . . 34 40 LYS N 53.04 1.25 . . 35 41 SER N 63.23 1.68 . . 36 42 GLY N 59.15 1.50 . . 37 43 SER N 53.02 1.25 . . 38 44 GLU N 57.53 1.45 . . 39 45 LEU N 58.23 1.47 . . 40 46 GLY N 55.81 1.37 . . 41 47 LYS N 52.95 1.25 . . 42 48 GLN N 52.74 1.24 . . 43 49 ALA N 55.79 1.37 . . 44 50 LYS N 54.69 1.33 . . 45 51 ASP N 53.05 1.26 . . 46 52 ILE N 59.41 1.52 . . 47 53 MET N 54.72 1.33 . . 48 54 ASP N 53.86 1.29 . . 49 55 ALA N 55.24 1.34 . . 50 56 GLY N 61.84 1.62 . . 51 57 LYS N 60.59 1.58 . . 52 58 LEU N 72.89 1.88 . . 53 59 VAL N 63.66 1.70 . . 54 60 THR N 60.00 1.57 . . 55 61 ASP N 58.04 1.47 . . 56 62 GLU N 53.88 1.30 . . 57 63 LEU N 53.90 1.30 . . 58 64 VAL N 54.22 1.30 . . 59 65 ILE N 52.09 1.22 . . 60 66 ALA N 52.70 1.25 . . 61 67 LEU N 49.94 1.13 . . 62 68 VAL N 53.28 1.28 . . 63 69 LYS N 52.07 1.21 . . 64 71 ARG N 47.49 1.02 . . 65 72 ILE N 51.08 1.18 . . 66 73 ALA N 50.25 1.14 . . 67 74 GLN N 52.89 1.26 . . 68 75 GLU N 54.76 1.33 . . 69 77 CYS N 52.19 1.21 . . 70 78 ARG N 52.47 1.23 . . 71 79 ASN N 54.06 1.29 . . 72 80 GLY N 56.31 1.39 . . 73 81 PHE N 55.31 1.36 . . 74 82 LEU N 52.98 1.26 . . 75 83 LEU N 55.37 1.37 . . 76 84 ASP N 56.40 1.39 . . 77 85 GLY N 65.79 1.75 . . 78 86 PHE N 54.51 1.32 . . 79 88 ARG N 57.90 1.46 . . 80 89 THR N 58.79 1.50 . . 81 90 ILE N 52.73 1.24 . . 82 92 GLN N 48.71 1.08 . . 83 93 ALA N 52.19 1.22 . . 84 94 ASP N 44.75 0.85 . . 85 95 ALA N 47.44 1.02 . . 86 96 MET N 49.94 1.13 . . 87 97 LYS N 52.74 1.24 . . 88 98 GLU N 48.63 1.07 . . 89 99 ALA N 53.81 1.30 . . 90 100 GLY N 56.29 1.39 . . 91 101 ILE N 48.14 1.05 . . 92 102 ASN N 60.83 1.60 . . 93 103 VAL N 57.25 1.76 . . 94 104 ASP N 54.43 1.31 . . 95 105 TYR N 53.30 1.27 . . 96 106 VAL N 55.99 1.37 . . 97 107 LEU N 53.26 1.26 . . 98 108 GLU N 54.68 1.32 . . 99 109 PHE N 51.05 1.17 . . 100 110 ASP N 55.30 1.35 . . 101 111 VAL N 55.14 1.34 . . 102 113 ASP N 52.92 1.26 . . 103 114 GLU N 50.91 1.17 . . 104 115 LEU N 44.72 0.98 . . 105 116 ILE N 50.66 1.16 . . 106 117 VAL N 49.69 1.11 . . 107 118 ASP N 52.41 1.22 . . 108 120 ILE N 47.80 1.03 . . 109 121 VAL N 43.76 0.75 . . 110 122 GLY N 39.34 1.11 . . 111 123 ARG N 47.90 1.04 . . 112 124 ARG N 57.43 1.45 . . 113 125 VAL N 58.59 1.49 . . 114 126 HIS N 55.72 1.37 . . 115 127 ALA N 57.36 1.45 . . 116 129 SER N 57.81 1.46 . . 117 130 GLY N 53.76 1.30 . . 118 131 ARG N 51.76 1.20 . . 119 132 VAL N 63.77 1.71 . . 120 133 TYR N 56.92 1.41 . . 121 134 HIS N 55.43 1.35 . . 122 136 LYS N 49.47 1.10 . . 123 137 PHE N 57.24 1.43 . . 124 138 ASN N 57.90 1.46 . . 125 141 LYS N 57.94 1.47 . . 126 142 VAL N 49.80 1.11 . . 127 143 GLU N 57.44 1.44 . . 128 144 GLY N 55.66 1.37 . . 129 145 LYS N 49.97 1.13 . . 130 146 ASP N 55.99 1.38 . . 131 147 ASP N 49.48 1.10 . . 132 148 VAL N 51.85 1.22 . . 133 149 THR N 50.29 1.14 . . 134 150 GLY N 52.15 1.21 . . 135 151 GLU N 47.64 1.03 . . 136 152 GLU N 59.87 1.55 . . 137 153 LEU N 57.02 1.47 . . 138 154 THR N 59.70 1.54 . . 139 155 THR N 59.85 1.54 . . 140 156 ARG N 58.60 1.51 . . 141 158 ASP N 56.04 1.39 . . 142 159 ASP N 52.75 1.24 . . 143 160 GLN N 58.19 1.47 . . 144 161 GLU N 56.92 1.41 . . 145 162 GLU N 47.57 1.03 . . 146 163 THR N 48.78 1.09 . . 147 164 VAL N 43.55 1.00 . . 148 165 ARG N 45.09 0.99 . . 149 166 LYS N 45.32 0.66 . . 150 167 ARG N 47.80 1.03 . . 151 170 GLU N 49.97 1.13 . . 152 172 HIS N 49.80 1.11 . . 153 173 GLN N 44.02 0.79 . . 154 174 MET N 47.60 1.03 . . 155 175 THR N 47.84 1.04 . . 156 176 ALA N 48.85 1.08 . . 157 178 LEU N 47.83 1.04 . . 158 179 ILE N 55.43 1.35 . . 159 180 GLY N 50.90 1.18 . . 160 181 TYR N 60.83 1.60 . . 161 182 TYR N 45.37 0.90 . . 162 183 SER N 50.80 1.16 . . 163 184 LYS N 50.75 1.16 . . 164 185 GLU N 48.51 1.06 . . 165 186 ALA N 49.14 1.08 . . 166 187 GLU N 54.44 1.32 . . 167 188 ALA N 53.88 1.30 . . 168 189 GLY N 52.89 1.26 . . 169 190 ASN N 49.69 1.11 . . 170 191 THR N 64.53 1.73 . . 171 192 LYS N 59.99 1.55 . . 172 193 TYR N 56.26 1.39 . . 173 194 ALA N 51.78 1.22 . . 174 195 LYS N 56.79 1.41 . . 175 196 VAL N 56.38 1.41 . . 176 197 ASP N 55.87 1.37 . . 177 198 GLY N 56.89 1.41 . . 178 199 THR N 48.67 1.07 . . 179 200 LYS N 45.90 1.06 . . 180 202 VAL N 48.84 1.08 . . 181 203 ALA N 44.75 0.85 . . 182 204 GLU N 49.47 1.12 . . 183 205 VAL N 47.17 1.02 . . 184 206 ARG N 44.68 0.96 . . 185 207 ALA N 44.55 0.76 . . 186 208 ASP N 51.40 1.18 . . 187 209 LEU N 44.89 0.88 . . 188 210 GLU N 44.02 0.79 . . 189 212 ILE N 50.39 1.15 . . 190 213 LEU N 48.69 1.07 . . 191 214 GLY N 64.29 1.72 . . stop_ save_ save_15N_T2_800 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 800 _T2_coherence_type Ny _T2_value_units ms _Mol_system_component_name 'AKeco kinase' _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 ARG N 43.35 0.97 . . 2 3 ILE N 44.72 1.01 . . 3 4 ILE N 44.68 1.09 . . 4 5 LEU N 40.02 0.91 . . 5 6 LEU N 44.36 1.00 . . 6 7 GLY N 43.81 0.98 . . 7 8 ALA N 44.80 1.01 . . 8 11 ALA N 39.06 0.91 . . 9 12 GLY N 43.70 1.02 . . 10 15 THR N 36.82 0.84 . . 11 16 GLN N 35.71 0.82 . . 12 17 ALA N 51.17 1.19 . . 13 18 GLN N 41.82 0.95 . . 14 19 PHE N 42.37 0.96 . . 15 20 ILE N 44.61 1.02 . . 16 21 MET N 39.62 0.90 . . 17 22 GLU N 40.35 0.92 . . 18 23 LYS N 41.39 0.94 . . 19 24 TYR N 41.96 0.95 . . 20 25 GLY N 38.24 0.88 . . 21 26 ILE N 41.43 0.94 . . 22 28 GLN N 45.97 1.03 . . 23 29 ILE N 45.04 1.02 . . 24 30 SER N 52.25 1.18 . . 25 31 THR N 39.19 0.91 . . 26 32 GLY N 42.14 0.97 . . 27 33 ASP N 45.13 1.01 . . 28 34 MET N 48.72 1.12 . . 29 35 LEU N 53.04 1.10 . . 30 36 ARG N 42.74 0.97 . . 31 37 ALA N 44.61 1.02 . . 32 38 ALA N 44.65 1.01 . . 33 39 VAL N 43.31 0.98 . . 34 40 LYS N 42.92 0.97 . . 35 41 SER N 50.41 1.12 . . 36 42 GLY N 45.50 1.03 . . 37 43 SER N 45.41 1.06 . . 38 44 GLU N 45.50 1.03 . . 39 45 LEU N 46.54 1.04 . . 40 46 GLY N 43.17 0.98 . . 41 47 LYS N 43.55 0.99 . . 42 48 GLN N 41.25 0.94 . . 43 49 ALA N 48.72 1.12 . . 44 50 LYS N 43.66 0.99 . . 45 51 ASP N 43.13 0.98 . . 46 52 ILE N 46.68 1.04 . . 47 53 MET N 43.00 0.98 . . 48 54 ASP N 43.45 0.98 . . 49 55 ALA N 43.49 0.97 . . 50 56 GLY N 47.98 1.07 . . 51 57 LYS N 48.21 1.08 . . 52 58 LEU N 57.99 1.27 . . 53 59 VAL N 52.35 1.17 . . 54 60 THR N 47.45 1.06 . . 55 61 ASP N 46.43 1.05 . . 56 62 GLU N 42.75 0.97 . . 57 63 LEU N 43.17 0.98 . . 58 64 VAL N 42.67 0.96 . . 59 65 ILE N 42.20 0.96 . . 60 66 ALA N 41.31 0.94 . . 61 67 LEU N 36.46 0.84 . . 62 68 VAL N 44.16 1.00 . . 63 69 LYS N 41.95 0.95 . . 64 71 ARG N 39.06 0.91 . . 65 72 ILE N 40.44 0.92 . . 66 73 ALA N 39.49 0.90 . . 67 74 GLN N 42.51 0.96 . . 68 75 GLU N 43.36 0.99 . . 69 77 CYS N 42.00 0.96 . . 70 78 ARG N 42.01 0.95 . . 71 79 ASN N 43.25 0.98 . . 72 80 GLY N 44.06 0.99 . . 73 81 PHE N 43.18 0.97 . . 74 82 LEU N 43.08 0.99 . . 75 83 LEU N 43.85 0.99 . . 76 84 ASP N 46.25 1.04 . . 77 85 GLY N 54.00 1.20 . . 78 86 PHE N 43.13 0.97 . . 79 88 ARG N 47.01 1.05 . . 80 89 THR N 45.77 1.03 . . 81 90 ILE N 42.60 0.96 . . 82 92 GLN N 39.94 0.91 . . 83 93 ALA N 42.04 0.97 . . 84 94 ASP N 37.06 0.85 . . 85 95 ALA N 42.46 0.80 . . 86 96 MET N 36.46 0.84 . . 87 97 LYS N 41.69 0.94 . . 88 98 GLU N 39.73 0.91 . . 89 99 ALA N 41.72 0.95 . . 90 100 GLY N 44.00 0.98 . . 91 101 ILE N 41.45 0.98 . . 92 102 ASN N 48.62 1.10 . . 93 103 VAL N 54.17 1.20 . . 94 104 ASP N 44.28 1.00 . . 95 105 TYR N 41.82 0.95 . . 96 106 VAL N 46.94 1.06 . . 97 107 LEU N 43.47 0.98 . . 98 108 GLU N 44.56 1.00 . . 99 109 PHE N 41.42 0.94 . . 100 110 ASP N 43.68 0.99 . . 101 111 VAL N 43.93 0.98 . . 102 113 ASP N 42.86 0.97 . . 103 114 GLU N 40.57 0.92 . . 104 115 LEU N 36.78 0.84 . . 105 116 ILE N 41.08 0.92 . . 106 117 VAL N 40.68 0.93 . . 107 118 ASP N 38.71 0.88 . . 108 120 ILE N 39.25 0.89 . . 109 121 VAL N 33.91 0.78 . . 110 122 GLY N 30.12 0.76 . . 111 123 ARG N 37.85 0.86 . . 112 124 ARG N 45.97 1.03 . . 113 125 VAL N 46.79 1.06 . . 114 126 HIS N 44.80 1.01 . . 115 127 ALA N 44.81 1.03 . . 116 129 SER N 44.25 1.00 . . 117 130 GLY N 42.66 0.96 . . 118 131 ARG N 44.05 1.02 . . 119 132 VAL N 51.72 1.15 . . 120 133 TYR N 48.15 1.08 . . 121 134 HIS N 48.15 1.08 . . 122 136 LYS N 39.52 0.91 . . 123 137 PHE N 46.07 1.03 . . 124 138 ASN N 47.01 1.05 . . 125 141 LYS N 46.91 1.05 . . 126 142 VAL N 43.08 0.97 . . 127 143 GLU N 47.32 1.06 . . 128 144 GLY N 45.17 1.01 . . 129 145 LYS N 40.65 0.93 . . 130 146 ASP N 45.25 1.02 . . 131 147 ASP N 38.25 0.87 . . 132 148 VAL N 41.44 0.94 . . 133 149 THR N 40.35 0.92 . . 134 150 GLY N 41.43 0.94 . . 135 151 GLU N 37.83 0.87 . . 136 152 GLU N 48.33 1.08 . . 137 153 LEU N 47.67 1.09 . . 138 154 THR N 48.57 1.08 . . 139 155 THR N 47.76 1.06 . . 140 156 ARG N 45.55 1.02 . . 141 158 ASP N 43.64 0.99 . . 142 159 ASP N 42.13 0.96 . . 143 160 GLN N 46.09 1.03 . . 144 161 GLU N 48.15 1.08 . . 145 162 GLU N 37.65 0.86 . . 146 163 THR N 38.65 0.88 . . 147 164 VAL N 39.19 0.91 . . 148 165 ARG N 37.08 0.86 . . 149 166 LYS N 42.94 1.04 . . 150 167 ARG N 39.25 0.89 . . 151 170 GLU N 40.65 0.93 . . 152 172 HIS N 43.08 0.97 . . 153 173 GLN N 36.46 0.84 . . 154 174 MET N 37.01 0.85 . . 155 175 THR N 38.10 0.87 . . 156 176 ALA N 38.63 0.88 . . 157 178 LEU N 38.63 0.87 . . 158 179 ILE N 48.15 1.08 . . 159 180 GLY N 39.39 0.90 . . 160 181 TYR N 48.62 1.10 . . 161 182 TYR N 36.83 0.86 . . 162 183 SER N 39.69 0.91 . . 163 184 LYS N 40.66 0.93 . . 164 185 GLU N 42.13 0.97 . . 165 186 ALA N 43.18 1.00 . . 166 187 GLU N 44.05 0.99 . . 167 188 ALA N 43.19 0.97 . . 168 189 GLY N 42.83 0.97 . . 169 190 ASN N 45.16 1.03 . . 170 191 THR N 50.65 1.14 . . 171 192 LYS N 48.63 1.09 . . 172 193 TYR N 47.53 1.07 . . 173 194 ALA N 43.62 1.01 . . 174 195 LYS N 47.03 1.07 . . 175 196 VAL N 45.29 1.01 . . 176 197 ASP N 45.14 1.02 . . 177 198 GLY N 45.97 1.03 . . 178 199 THR N 38.60 0.88 . . 179 200 LYS N 37.37 0.85 . . 180 202 VAL N 43.68 1.02 . . 181 203 ALA N 37.06 0.85 . . 182 204 GLU N 39.48 0.89 . . 183 205 VAL N 39.94 0.91 . . 184 206 ARG N 36.02 0.83 . . 185 207 ALA N 36.23 0.83 . . 186 208 ASP N 41.46 0.95 . . 187 209 LEU N 37.19 0.86 . . 188 210 GLU N 37.03 0.85 . . 189 212 ILE N 39.55 0.90 . . 190 213 LEU N 40.95 0.95 . . 191 214 GLY N 51.33 1.14 . . stop_ save_ save_heteronuclear_NOE_600 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type . _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ARG 0.770 0.009 3 ILE 0.790 0.010 4 ILE 0.752 0.012 5 LEU 0.777 0.009 6 LEU 0.779 0.009 7 GLY 0.738 0.009 8 ALA 0.707 0.009 11 ALA 0.761 0.009 12 GLY 0.733 0.009 15 THR 0.712 0.009 16 GLN 0.714 0.009 17 ALA 0.690 0.008 18 GLN 0.737 0.010 19 PHE 0.762 0.009 20 ILE 0.725 0.009 21 MET 0.785 0.010 22 GLU 0.784 0.010 23 LYS 0.742 0.013 24 TYR 0.744 0.011 25 GLY 0.770 0.009 26 ILE 0.738 0.015 28 GLN 0.716 0.011 29 ILE 0.751 0.010 30 SER 0.684 0.008 31 THR 0.720 0.009 32 GLY 0.748 0.012 33 ASP 0.711 0.009 34 MET 0.645 0.008 35 LEU 0.617 0.008 36 ARG 0.741 0.009 37 ALA 0.725 0.009 38 ALA 0.707 0.009 39 VAL 0.671 0.008 40 LYS 0.674 0.008 41 SER 0.575 0.007 42 GLY 0.539 0.007 43 SER 0.550 0.008 44 GLU 0.570 0.007 45 LEU 0.601 0.008 46 GLY 0.642 0.008 47 LYS 0.641 0.008 48 GLN 0.689 0.008 49 ALA 0.610 0.007 50 LYS 0.619 0.008 51 ASP 0.628 0.008 52 ILE 0.640 0.008 53 MET 0.629 0.009 54 ASP 0.607 0.007 55 ALA 0.591 0.007 56 GLY 0.624 0.008 57 LYS 0.616 0.008 58 LEU 0.406 0.005 59 VAL 0.403 0.005 60 THR 0.577 0.007 61 ASP 0.738 0.009 62 GLU 0.736 0.011 63 LEU 0.743 0.009 64 VAL 0.757 0.009 65 ILE 0.756 0.009 66 ALA 0.781 0.009 67 LEU 0.666 0.008 68 VAL 0.777 0.009 69 LYS 0.768 0.009 71 ARG 0.761 0.009 72 ILE 0.802 0.010 73 ALA 0.804 0.010 74 GLN 0.777 0.009 75 GLU 0.744 0.009 77 CYS 0.780 0.009 78 ARG 0.754 0.009 79 ASN 0.704 0.009 80 GLY 0.726 0.009 81 PHE 0.774 0.009 82 LEU 0.801 0.010 83 LEU 0.788 0.010 84 ASP 0.765 0.009 85 GLY 0.659 0.008 86 PHE 0.755 0.009 88 ARG 0.653 0.008 89 THR 0.675 0.008 90 ILE 0.768 0.009 92 GLN 0.795 0.010 93 ALA 0.679 0.008 94 ASP 0.770 0.009 95 ALA 0.574 0.008 96 MET 0.666 0.008 97 LYS 0.728 0.009 98 GLU 0.718 0.014 99 ALA 0.716 0.009 100 GLY 0.752 0.009 101 ILE 0.734 0.009 102 ASN 0.706 0.009 103 VAL 0.572 0.008 104 ASP 0.763 0.009 105 TYR 0.764 0.009 106 VAL 0.793 0.010 107 LEU 0.800 0.010 108 GLU 0.788 0.010 109 PHE 0.803 0.010 110 ASP 0.771 0.009 111 VAL 0.771 0.010 113 ASP 0.777 0.009 114 GLU 0.782 0.009 115 LEU 0.795 0.010 116 ILE 0.789 0.010 117 VAL 0.793 0.010 118 ASP 0.646 0.015 120 ILE 0.766 0.009 121 VAL 0.769 0.009 122 GLY 0.733 0.009 123 ARG 0.721 0.009 124 ARG 0.660 0.008 125 VAL 0.636 0.008 126 HIS 0.707 0.009 127 ALA 0.584 0.007 129 SER 0.607 0.008 130 GLY 0.631 0.008 131 ARG 0.596 0.007 132 VAL 0.581 0.007 133 TYR 0.657 0.008 134 HIS 0.658 0.008 136 LYS 0.614 0.007 137 PHE 0.591 0.014 138 ASN 0.653 0.008 141 LYS 0.612 0.013 142 VAL 0.699 0.009 143 GLU 0.568 0.007 144 GLY 0.654 0.008 145 LYS 0.702 0.009 146 ASP 0.670 0.008 147 ASP 0.703 0.013 148 VAL 0.656 0.009 149 THR 0.685 0.017 150 GLY 0.668 0.008 151 GLU 0.737 0.009 152 GLU 0.599 0.007 153 LEU 0.508 0.012 154 THR 0.605 0.007 155 THR 0.616 0.008 156 ARG 0.654 0.008 158 ASP 0.559 0.007 159 ASP 0.673 0.008 160 GLN 0.502 0.006 161 GLU 0.657 0.008 162 GLU 0.722 0.009 163 THR 0.716 0.009 164 VAL 0.720 0.009 165 ARG 0.766 0.009 166 LYS 0.733 0.009 167 ARG 0.766 0.009 170 GLU 0.702 0.009 172 HIS 0.699 0.009 173 GLN 0.775 0.009 174 MET 0.739 0.009 175 THR 0.719 0.009 176 ALA 0.772 0.009 178 LEU 0.765 0.011 179 ILE 0.658 0.008 180 GLY 0.787 0.010 181 TYR 0.706 0.009 182 TYR 0.797 0.010 183 SER 0.774 0.009 185 GLU 0.722 0.009 186 ALA 0.746 0.009 187 GLU 0.752 0.009 188 ALA 0.773 0.009 189 GLY 0.723 0.009 190 ASN 0.733 0.009 191 THR 0.611 0.007 192 LYS 0.713 0.009 193 TYR 0.712 0.009 194 ALA 0.799 0.010 195 LYS 0.726 0.009 196 VAL 0.698 0.009 197 ASP 0.756 0.009 198 GLY 0.750 0.009 199 THR 0.761 0.009 200 LYS 0.750 0.009 202 VAL 0.692 0.008 203 ALA 0.770 0.009 204 GLU 0.725 0.009 205 VAL 0.713 0.009 206 ARG 0.764 0.009 207 ALA 0.782 0.009 208 ASP 0.773 0.009 209 LEU 0.764 0.009 210 GLU 0.775 0.009 212 ILE 0.717 0.009 213 LEU 0.733 0.009 214 GLY 0.441 0.006 stop_ save_ save_heteronuclear_NOE_800 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type . _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ARG 0.794 0.018 3 ILE 0.824 0.018 4 ILE 0.675 0.015 5 LEU 0.821 0.018 6 LEU 0.798 0.018 7 GLY 0.715 0.016 8 ALA 0.758 0.017 11 ALA 0.760 0.017 12 GLY 0.756 0.017 15 THR 0.690 0.015 16 GLN 0.754 0.017 17 ALA 0.639 0.014 18 GLN 0.795 0.018 19 PHE 0.796 0.018 20 ILE 0.745 0.017 21 MET 0.826 0.018 22 GLU 0.790 0.018 23 LYS 0.756 0.017 24 TYR 0.797 0.018 25 GLY 0.789 0.017 26 ILE 0.758 0.017 28 GLN 0.739 0.016 29 ILE 0.771 0.017 30 SER 0.684 0.015 31 THR 0.774 0.017 32 GLY 0.751 0.017 33 ASP 0.759 0.017 34 MET 0.624 0.014 35 LEU 0.572 0.013 36 ARG 0.766 0.017 37 ALA 0.745 0.017 38 ALA 0.732 0.016 39 VAL 0.715 0.016 40 LYS 0.706 0.016 41 SER 0.627 0.014 42 GLY 0.584 0.013 43 SER 0.570 0.013 44 GLU 0.728 0.017 45 LEU 0.637 0.014 46 GLY 0.682 0.015 47 LYS 0.664 0.015 48 GLN 0.706 0.016 49 ALA 0.624 0.014 50 LYS 0.667 0.015 51 ASP 0.657 0.015 52 ILE 0.684 0.015 53 MET 0.646 0.014 54 ASP 0.643 0.014 55 ALA 0.645 0.014 56 GLY 0.665 0.015 57 LYS 0.664 0.015 58 LEU 0.454 0.010 59 VAL 0.414 0.009 60 THR 0.618 0.014 61 ASP 0.730 0.016 62 GLU 0.754 0.017 63 LEU 0.776 0.017 64 VAL 0.794 0.018 65 ILE 0.803 0.018 66 ALA 0.803 0.018 67 LEU 0.513 0.011 68 VAL 0.792 0.018 69 LYS 0.800 0.018 71 ARG 0.760 0.017 72 ILE 0.825 0.018 73 ALA 0.829 0.018 74 GLN 0.803 0.018 75 GLU 0.751 0.017 77 CYS 0.800 0.018 78 ARG 0.794 0.018 79 ASN 0.749 0.017 80 GLY 0.725 0.016 81 PHE 0.811 0.018 82 LEU 0.842 0.019 83 LEU 0.811 0.018 84 ASP 0.792 0.018 85 GLY 0.692 0.015 86 PHE 0.784 0.017 88 ARG 0.691 0.015 89 THR 0.720 0.016 90 ILE 0.769 0.017 92 GLN 0.811 0.018 93 ALA 0.772 0.017 94 ASP 0.792 0.018 95 ALA 0.451 0.010 96 MET 0.775 0.017 97 LYS 0.778 0.017 98 GLU 0.747 0.017 99 ALA 0.753 0.017 100 GLY 0.758 0.017 101 ILE 0.762 0.017 102 ASN 0.720 0.016 103 VAL 0.599 0.013 104 ASP 0.808 0.018 105 TYR 0.795 0.018 106 VAL 0.810 0.018 107 LEU 0.813 0.018 108 GLU 0.826 0.018 109 PHE 0.818 0.018 110 ASP 0.803 0.019 111 VAL 0.780 0.017 113 ASP 0.818 0.018 114 GLU 0.811 0.018 115 LEU 0.807 0.018 116 ILE 0.796 0.018 117 VAL 0.815 0.018 118 ASP 0.799 0.018 120 ILE 0.801 0.018 121 VAL 0.813 0.018 122 GLY 0.791 0.018 123 ARG 0.755 0.017 124 ARG 0.704 0.016 125 VAL 0.682 0.015 126 HIS 0.758 0.017 127 ALA 0.624 0.014 129 SER 0.657 0.015 130 GLY 0.684 0.015 131 ARG 0.695 0.015 132 VAL 0.627 0.014 133 TYR 0.674 0.015 134 HIS 0.679 0.015 136 LYS 0.658 0.015 137 PHE 0.632 0.014 138 ASN 0.691 0.015 141 LYS 0.640 0.014 142 VAL 0.713 0.016 143 GLU 0.592 0.013 144 GLY 0.669 0.015 145 LYS 0.725 0.016 146 ASP 0.690 0.015 147 ASP 0.724 0.019 148 VAL 0.703 0.016 149 THR 0.716 0.016 150 GLY 0.705 0.016 151 GLU 0.772 0.017 152 GLU 0.628 0.014 153 LEU 0.515 0.011 154 THR 0.645 0.014 155 THR 0.654 0.015 156 ARG 0.679 0.017 158 ASP 0.590 0.013 159 ASP 0.710 0.016 160 GLN 0.550 0.012 161 GLU 0.745 0.017 162 GLU 0.746 0.017 163 THR 0.747 0.017 164 VAL 0.774 0.017 165 ARG 0.807 0.018 166 LYS 0.735 0.016 167 ARG 0.801 0.018 170 GLU 0.725 0.016 172 HIS 0.713 0.016 173 GLN 0.787 0.017 174 MET 0.795 0.018 175 THR 0.745 0.017 176 ALA 0.815 0.018 178 LEU 0.817 0.018 179 ILE 0.679 0.015 180 GLY 0.830 0.018 181 TYR 0.720 0.016 182 TYR 0.821 0.018 183 SER 0.796 0.018 184 LYS 0.817 0.018 185 GLU 0.760 0.017 186 ALA 0.747 0.017 187 GLU 0.787 0.017 188 ALA 0.801 0.018 189 GLY 0.749 0.017 190 ASN 0.741 0.016 191 THR 0.640 0.014 192 LYS 0.741 0.016 193 TYR 0.748 0.017 194 ALA 0.773 0.017 195 LYS 0.754 0.017 196 VAL 0.717 0.016 197 ASP 0.776 0.017 198 GLY 0.763 0.017 199 THR 0.791 0.018 200 LYS 0.772 0.017 202 VAL 0.671 0.015 203 ALA 0.792 0.018 204 GLU 0.758 0.017 205 VAL 0.732 0.016 206 ARG 0.802 0.018 207 ALA 0.801 0.018 208 ASP 0.777 0.017 209 LEU 0.761 0.017 210 GLU 0.801 0.018 212 ILE 0.760 0.017 213 LEU 0.756 0.017 214 GLY 0.523 0.012 stop_ save_