data_5746 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N Relaxation Data of Escherichia coli Adenylate Kinase in Complex with Inhibitor Ap5A Obtained at Magnetic Fields of 14.10 and 18.79 T ; _BMRB_accession_number 5746 _BMRB_flat_file_name bmr5746.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" 202 "15N chemical shifts" 202 "T1 relaxation values" 404 "T2 relaxation values" 404 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-05-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5720 'adenylate kinase in free form' 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 'inhibitor Ap5A' $AP5 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 5720 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_ ############# # Ligands # ############# save_AP5 _Saveframe_category ligand _Mol_type non-polymer _Name_common "AP5 (BIS(ADENOSINE)-5'-PENTAPHOSPHATE)" _BMRB_code . _PDB_code AP5 _Molecular_mass 916.367 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:02:24 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? PD PD P . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? O3D O3D O . 0 . ? PE PE P . 0 . ? O1E O1E O . 0 . ? O2E O2E O . 0 . ? O5F O5F O . 0 . ? C5F C5F C . 0 . ? C4F C4F C . 0 . ? O4F O4F O . 0 . ? C3F C3F C . 0 . ? O3F O3F O . 0 . ? C2F C2F C . 0 . ? O2F O2F O . 0 . ? C1F C1F C . 0 . ? N9A N9A N . 0 . ? C8A C8A C . 0 . ? N7A N7A N . 0 . ? C5A C5A C . 0 . ? C6A C6A C . 0 . ? N6A N6A N . 0 . ? N1A N1A N . 0 . ? C2A C2A C . 0 . ? N3A N3A N . 0 . ? C4A C4A C . 0 . ? O5J O5J O . 0 . ? C5J C5J C . 0 . ? C4J C4J C . 0 . ? O4J O4J O . 0 . ? C3J C3J C . 0 . ? O3J O3J O . 0 . ? C2J C2J C . 0 . ? O2J O2J O . 0 . ? C1J C1J C . 0 . ? N9B N9B N . 0 . ? C8B C8B C . 0 . ? N7B N7B N . 0 . ? C5B C5B C . 0 . ? C6B C6B C . 0 . ? N6B N6B N . 0 . ? N1B N1B N . 0 . ? C2B C2B C . 0 . ? N3B N3B N . 0 . ? C4B C4B C . 0 . ? HOA2 HOA2 H . 0 . ? HOB2 HOB2 H . 0 . ? HOG2 HOG2 H . 0 . ? HOD2 HOD2 H . 0 . ? HOE2 HOE2 H . 0 . ? H51A H51A H . 0 . ? H52A H52A H . 0 . ? H4F H4F H . 0 . ? H3F H3F H . 0 . ? HO3A HO3A H . 0 . ? H2F H2F H . 0 . ? HO2A HO2A H . 0 . ? H1F H1F H . 0 . ? H8A H8A H . 0 . ? H61A H61A H . 0 . ? H62A H62A H . 0 . ? H2A H2A H . 0 . ? H51B H51B H . 0 . ? H52B H52B H . 0 . ? H4J H4J H . 0 . ? H3J H3J H . 0 . ? HO3B HO3B H . 0 . ? H2J H2J H . 0 . ? HO2B HO2B H . 0 . ? H1J H1J H . 0 . ? H8B H8B H . 0 . ? H61B H61B H . 0 . ? H62B H62B H . 0 . ? H2B H2B H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5F ? ? SING O2A HOA2 ? ? SING O3A PB ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING O2B HOB2 ? ? SING O3B PG ? ? DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING O2G HOG2 ? ? SING O3G PD ? ? DOUB PD O1D ? ? SING PD O2D ? ? SING PD O3D ? ? SING O2D HOD2 ? ? SING O3D PE ? ? DOUB PE O1E ? ? SING PE O2E ? ? SING PE O5J ? ? SING O2E HOE2 ? ? SING O5F C5F ? ? SING C5F C4F ? ? SING C5F H51A ? ? SING C5F H52A ? ? SING C4F O4F ? ? SING C4F C3F ? ? SING C4F H4F ? ? SING O4F C1F ? ? SING C3F O3F ? ? SING C3F C2F ? ? SING C3F H3F ? ? SING O3F HO3A ? ? SING C2F O2F ? ? SING C2F C1F ? ? SING C2F H2F ? ? SING O2F HO2A ? ? SING C1F N9A ? ? SING C1F H1F ? ? SING N9A C8A ? ? SING N9A C4A ? ? DOUB C8A N7A ? ? SING C8A H8A ? ? SING N7A C5A ? ? SING C5A C6A ? ? DOUB C5A C4A ? ? SING C6A N6A ? ? DOUB C6A N1A ? ? SING N6A H61A ? ? SING N6A H62A ? ? SING N1A C2A ? ? DOUB C2A N3A ? ? SING C2A H2A ? ? SING N3A C4A ? ? SING O5J C5J ? ? SING C5J C4J ? ? SING C5J H51B ? ? SING C5J H52B ? ? SING C4J O4J ? ? SING C4J C3J ? ? SING C4J H4J ? ? SING O4J C1J ? ? SING C3J O3J ? ? SING C3J C2J ? ? SING C3J H3J ? ? SING O3J HO3B ? ? SING C2J O2J ? ? SING C2J C1J ? ? SING C2J H2J ? ? SING O2J HO2B ? ? SING C1J N9B ? ? SING C1J H1J ? ? SING N9B C8B ? ? SING N9B C4B ? ? DOUB C8B N7B ? ? SING C8B H8B ? ? SING N7B C5B ? ? SING C5B C6B ? ? DOUB C5B C4B ? ? SING C6B N6B ? ? DOUB C6B N1B ? ? SING N6B H61B ? ? SING N6B H62B ? ? SING N1B C2B ? ? DOUB C2B N3B ? ? SING C2B H2B ? ? SING N3B C4B ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 Bacteria . 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_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_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_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R1 inversion recovery' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R2 CPMG' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-{1H} steady-state NOE' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N CSA - 15N-1H cross-correlation rate, eta(xy)' _BMRB_pulse_sequence_accession_number . _Details . 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 9.560 0.002 . 2 . 2 ARG N N 124.289 0.010 . 3 . 3 ILE H H 8.168 0.002 . 4 . 3 ILE N N 123.003 0.010 . 5 . 4 ILE H H 8.699 0.002 . 6 . 4 ILE N N 125.157 0.010 . 7 . 5 LEU H H 8.381 0.002 . 8 . 5 LEU N N 123.631 0.010 . 9 . 6 LEU H H 9.369 0.002 . 10 . 6 LEU N N 125.704 0.010 . 11 . 7 GLY H H 8.983 0.002 . 12 . 7 GLY N N 109.250 0.010 . 13 . 8 ALA H H 8.872 0.002 . 14 . 8 ALA N N 125.962 0.010 . 15 . 10 GLY H H 8.247 0.002 . 16 . 10 GLY N N 115.867 0.010 . 17 . 11 ALA H H 7.907 0.002 . 18 . 11 ALA N N 119.839 0.010 . 19 . 12 GLY H H 8.001 0.002 . 20 . 12 GLY N N 104.510 0.010 . 21 . 13 LYS H H 8.291 0.002 . 22 . 13 LYS N N 120.544 0.010 . 23 . 14 GLY H H 11.925 0.002 . 24 . 14 GLY N N 108.416 0.010 . 25 . 15 THR H H 8.278 0.002 . 26 . 15 THR N N 118.967 0.010 . 27 . 16 GLN H H 7.594 0.002 . 28 . 16 GLN N N 116.701 0.010 . 29 . 17 ALA H H 9.163 0.002 . 30 . 17 ALA N N 123.430 0.010 . 31 . 18 GLN H H 7.198 0.002 . 32 . 18 GLN N N 113.598 0.010 . 33 . 19 PHE H H 6.730 0.002 . 34 . 19 PHE N N 117.351 0.010 . 35 . 20 ILE H H 7.922 0.002 . 36 . 20 ILE N N 120.684 0.010 . 37 . 21 MET H H 8.446 0.002 . 38 . 21 MET N N 119.658 0.010 . 39 . 22 GLU H H 8.027 0.002 . 40 . 22 GLU N N 118.412 0.010 . 41 . 23 LYS H H 7.637 0.002 . 42 . 23 LYS N N 120.401 0.010 . 43 . 24 TYR H H 8.184 0.002 . 44 . 24 TYR N N 112.740 0.010 . 45 . 25 GLY H H 7.722 0.002 . 46 . 25 GLY N N 108.916 0.010 . 47 . 26 ILE H H 8.113 0.002 . 48 . 26 ILE N N 122.057 0.010 . 49 . 28 GLN H H 8.028 0.002 . 50 . 28 GLN N N 120.883 0.010 . 51 . 29 ILE H H 9.679 0.002 . 52 . 29 ILE N N 131.608 0.010 . 53 . 30 SER H H 8.719 0.002 . 54 . 30 SER N N 120.850 0.010 . 55 . 31 THR H H 7.886 0.002 . 56 . 31 THR N N 118.037 0.010 . 57 . 32 GLY H H 9.762 0.002 . 58 . 32 GLY N N 110.722 0.010 . 59 . 33 ASP H H 6.822 0.002 . 60 . 33 ASP N N 112.041 0.010 . 61 . 34 MET H H 8.314 0.002 . 62 . 34 MET N N 119.223 0.010 . 63 . 35 LEU H H 8.603 0.002 . 64 . 35 LEU N N 121.536 0.010 . 65 . 36 ARG H H 8.574 0.002 . 66 . 36 ARG N N 118.728 0.010 . 67 . 37 ALA H H 8.113 0.002 . 68 . 37 ALA N N 122.057 0.010 . 69 . 38 ALA H H 7.801 0.002 . 70 . 38 ALA N N 122.741 0.010 . 71 . 39 VAL H H 8.214 0.002 . 72 . 39 VAL N N 119.067 0.010 . 73 . 40 LYS H H 7.879 0.002 . 74 . 40 LYS N N 120.106 0.010 . 75 . 41 SER H H 8.001 0.002 . 76 . 41 SER N N 112.252 0.010 . 77 . 42 GLY H H 7.774 0.002 . 78 . 42 GLY N N 109.425 0.010 . 79 . 43 SER H H 7.634 0.002 . 80 . 43 SER N N 113.849 0.010 . 81 . 44 GLU H H 8.938 0.002 . 82 . 44 GLU N N 121.378 0.010 . 83 . 45 LEU H H 8.157 0.002 . 84 . 45 LEU N N 119.669 0.010 . 85 . 46 GLY H H 7.796 0.002 . 86 . 46 GLY N N 106.577 0.010 . 87 . 48 GLN H H 7.647 0.002 . 88 . 48 GLN N N 116.660 0.010 . 89 . 49 ALA H H 8.214 0.002 . 90 . 49 ALA N N 119.067 0.010 . 91 . 50 LYS H H 7.941 0.002 . 92 . 50 LYS N N 117.686 0.010 . 93 . 51 ASP H H 8.145 0.002 . 94 . 51 ASP N N 115.789 0.010 . 95 . 52 ILE H H 7.252 0.002 . 96 . 52 ILE N N 120.606 0.010 . 97 . 53 MET H H 8.272 0.002 . 98 . 53 MET N N 117.953 0.010 . 99 . 54 ASP H H 8.490 0.002 . 100 . 54 ASP N N 119.891 0.010 . 101 . 55 ALA H H 7.201 0.002 . 102 . 55 ALA N N 118.810 0.010 . 103 . 56 GLY H H 7.986 0.002 . 104 . 56 GLY N N 105.640 0.010 . 105 . 57 LYS H H 7.256 0.002 . 106 . 57 LYS N N 117.453 0.010 . 107 . 58 LEU H H 8.978 0.002 . 108 . 58 LEU N N 120.217 0.010 . 109 . 59 VAL H H 8.845 0.002 . 110 . 59 VAL N N 121.189 0.010 . 111 . 60 THR H H 7.211 0.002 . 112 . 60 THR N N 118.145 0.010 . 113 . 61 ASP H H 8.870 0.002 . 114 . 61 ASP N N 125.608 0.010 . 115 . 62 GLU H H 9.339 0.002 . 116 . 62 GLU N N 116.116 0.010 . 117 . 63 LEU H H 6.964 0.002 . 118 . 63 LEU N N 116.692 0.010 . 119 . 64 VAL H H 7.106 0.002 . 120 . 64 VAL N N 115.095 0.010 . 121 . 65 ILE H H 8.850 0.002 . 122 . 65 ILE N N 119.648 0.010 . 123 . 66 ALA H H 7.143 0.002 . 124 . 66 ALA N N 119.020 0.010 . 125 . 67 LEU H H 7.152 0.002 . 126 . 67 LEU N N 117.612 0.010 . 127 . 68 VAL H H 7.843 0.002 . 128 . 68 VAL N N 118.785 0.010 . 129 . 69 LYS H H 8.355 0.002 . 130 . 69 LYS N N 117.630 0.010 . 131 . 70 GLU H H 7.347 0.002 . 132 . 70 GLU N N 115.953 0.010 . 133 . 71 ARG H H 7.438 0.002 . 134 . 71 ARG N N 119.705 0.010 . 135 . 72 ILE H H 8.197 0.002 . 136 . 72 ILE N N 111.514 0.010 . 137 . 73 ALA H H 6.854 0.002 . 138 . 73 ALA N N 120.851 0.010 . 139 . 74 GLN H H 7.190 0.002 . 140 . 74 GLN N N 115.999 0.010 . 141 . 75 GLU H H 8.938 0.002 . 142 . 75 GLU N N 121.378 0.010 . 143 . 76 ASP H H 8.465 0.002 . 144 . 76 ASP N N 117.029 0.010 . 145 . 77 CYS H H 7.656 0.002 . 146 . 77 CYS N N 117.479 0.010 . 147 . 78 ARG H H 7.703 0.002 . 148 . 78 ARG N N 121.371 0.010 . 149 . 79 ASN H H 8.396 0.002 . 150 . 79 ASN N N 114.805 0.010 . 151 . 80 GLY H H 7.368 0.002 . 152 . 80 GLY N N 107.002 0.010 . 153 . 81 PHE H H 7.595 0.002 . 154 . 81 PHE N N 109.003 0.010 . 155 . 82 LEU H H 8.713 0.002 . 156 . 82 LEU N N 121.158 0.010 . 157 . 83 LEU H H 9.658 0.002 . 158 . 83 LEU N N 127.352 0.010 . 159 . 84 ASP H H 8.663 0.002 . 160 . 84 ASP N N 123.535 0.010 . 161 . 85 GLY H H 7.906 0.002 . 162 . 85 GLY N N 109.127 0.010 . 163 . 86 PHE H H 7.355 0.002 . 164 . 86 PHE N N 118.286 0.010 . 165 . 88 ARG H H 7.954 0.002 . 166 . 88 ARG N N 118.795 0.010 . 167 . 89 THR H H 7.055 0.002 . 168 . 89 THR N N 106.974 0.010 . 169 . 90 ILE H H 9.726 0.002 . 170 . 90 ILE N N 123.198 0.010 . 171 . 92 GLN H H 7.176 0.002 . 172 . 92 GLN N N 114.989 0.010 . 173 . 93 ALA H H 7.521 0.002 . 174 . 93 ALA N N 123.543 0.010 . 175 . 94 ASP H H 9.132 0.002 . 176 . 94 ASP N N 120.396 0.010 . 177 . 95 ALA H H 7.944 0.002 . 178 . 95 ALA N N 121.747 0.010 . 179 . 96 MET H H 7.522 0.002 . 180 . 96 MET N N 116.730 0.010 . 181 . 97 LYS H H 7.460 0.002 . 182 . 97 LYS N N 117.998 0.010 . 183 . 98 GLU H H 7.440 0.002 . 184 . 98 GLU N N 119.107 0.010 . 185 . 99 ALA H H 7.313 0.002 . 186 . 99 ALA N N 117.804 0.010 . 187 . 100 GLY H H 7.884 0.002 . 188 . 100 GLY N N 107.448 0.010 . 189 . 101 ILE H H 8.076 0.002 . 190 . 101 ILE N N 120.940 0.010 . 191 . 102 ASN H H 8.012 0.002 . 192 . 102 ASN N N 124.658 0.010 . 193 . 103 VAL H H 8.804 0.002 . 194 . 103 VAL N N 113.024 0.010 . 195 . 104 ASP H H 8.555 0.002 . 196 . 104 ASP N N 122.717 0.010 . 197 . 105 TYR H H 7.537 0.002 . 198 . 105 TYR N N 114.631 0.010 . 199 . 106 VAL H H 8.742 0.002 . 200 . 106 VAL N N 122.751 0.010 . 201 . 107 LEU H H 8.547 0.002 . 202 . 107 LEU N N 124.721 0.010 . 203 . 108 GLU H H 8.653 0.002 . 204 . 108 GLU N N 124.907 0.010 . 205 . 109 PHE H H 9.276 0.002 . 206 . 109 PHE N N 127.940 0.010 . 207 . 110 ASP H H 8.844 0.002 . 208 . 110 ASP N N 125.143 0.010 . 209 . 111 VAL H H 7.525 0.002 . 210 . 111 VAL N N 124.528 0.010 . 211 . 113 ASP H H 8.713 0.002 . 212 . 113 ASP N N 121.158 0.010 . 213 . 114 GLU H H 9.086 0.002 . 214 . 114 GLU N N 114.680 0.010 . 215 . 115 LEU H H 7.159 0.002 . 216 . 115 LEU N N 117.862 0.010 . 217 . 116 ILE H H 7.366 0.002 . 218 . 116 ILE N N 119.133 0.010 . 219 . 117 VAL H H 8.029 0.002 . 220 . 117 VAL N N 117.955 0.010 . 221 . 118 ASP H H 7.751 0.002 . 222 . 118 ASP N N 116.344 0.010 . 223 . 119 ARG H H 8.068 0.002 . 224 . 119 ARG N N 118.671 0.010 . 225 . 120 ILE H H 8.153 0.002 . 226 . 120 ILE N N 116.571 0.010 . 227 . 121 VAL H H 8.363 0.002 . 228 . 121 VAL N N 115.864 0.010 . 229 . 122 GLY H H 7.230 0.002 . 230 . 122 GLY N N 104.235 0.010 . 231 . 123 ARG H H 7.660 0.002 . 232 . 123 ARG N N 121.663 0.010 . 233 . 124 ARG H H 8.409 0.002 . 234 . 124 ARG N N 128.432 0.010 . 235 . 125 VAL H H 9.298 0.002 . 236 . 125 VAL N N 116.166 0.010 . 237 . 126 HIS H H 9.146 0.002 . 238 . 126 HIS N N 125.331 0.010 . 239 . 127 ALA H H 8.991 0.002 . 240 . 127 ALA N N 128.916 0.010 . 241 . 129 SER H H 6.768 0.002 . 242 . 129 SER N N 107.245 0.010 . 243 . 130 GLY H H 8.508 0.002 . 244 . 130 GLY N N 112.489 0.010 . 245 . 131 ARG H H 8.425 0.002 . 246 . 131 ARG N N 121.509 0.010 . 247 . 132 VAL H H 7.987 0.002 . 248 . 132 VAL N N 118.595 0.010 . 249 . 133 TYR H H 9.284 0.002 . 250 . 133 TYR N N 124.953 0.010 . 251 . 134 HIS H H 8.464 0.002 . 252 . 134 HIS N N 121.810 0.010 . 253 . 135 VAL H H 7.961 0.002 . 254 . 135 VAL N N 119.781 0.010 . 255 . 136 LYS H H 9.534 0.002 . 256 . 136 LYS N N 119.613 0.010 . 257 . 137 PHE H H 9.068 0.002 . 258 . 137 PHE N N 117.612 0.010 . 259 . 138 ASN H H 8.010 0.002 . 260 . 138 ASN N N 112.819 0.010 . 261 . 141 LYS H H 10.114 0.002 . 262 . 141 LYS N N 123.487 0.010 . 263 . 142 VAL H H 8.798 0.002 . 264 . 142 VAL N N 120.246 0.010 . 265 . 143 GLU H H 8.116 0.002 . 266 . 143 GLU N N 125.129 0.010 . 267 . 144 GLY H H 8.736 0.002 . 268 . 144 GLY N N 111.085 0.010 . 269 . 145 LYS H H 7.972 0.002 . 270 . 145 LYS N N 119.052 0.010 . 271 . 146 ASP H H 9.035 0.002 . 272 . 146 ASP N N 119.471 0.010 . 273 . 147 ASP H H 7.926 0.002 . 274 . 147 ASP N N 126.593 0.010 . 275 . 148 VAL H H 6.347 0.002 . 276 . 148 VAL N N 114.808 0.010 . 277 . 149 THR H H 7.507 0.002 . 278 . 149 THR N N 105.177 0.010 . 279 . 150 GLY H H 7.837 0.002 . 280 . 150 GLY N N 110.666 0.010 . 281 . 151 GLU H H 7.634 0.002 . 282 . 151 GLU N N 118.282 0.010 . 283 . 152 GLU H H 8.672 0.002 . 284 . 152 GLU N N 119.382 0.010 . 285 . 153 LEU H H 7.922 0.002 . 286 . 153 LEU N N 120.684 0.010 . 287 . 154 THR H H 9.327 0.002 . 288 . 154 THR N N 113.313 0.010 . 289 . 155 THR H H 8.287 0.002 . 290 . 155 THR N N 113.139 0.010 . 291 . 156 ARG H H 9.764 0.002 . 292 . 156 ARG N N 126.098 0.010 . 293 . 157 LYS H H 8.655 0.002 . 294 . 157 LYS N N 121.290 0.010 . 295 . 158 ASP H H 8.709 0.002 . 296 . 158 ASP N N 112.628 0.010 . 297 . 159 ASP H H 7.319 0.002 . 298 . 159 ASP N N 121.450 0.010 . 299 . 160 GLN H H 7.074 0.002 . 300 . 160 GLN N N 117.387 0.010 . 301 . 161 GLU H H 9.199 0.002 . 302 . 161 GLU N N 124.491 0.010 . 303 . 162 GLU H H 9.156 0.002 . 304 . 162 GLU N N 116.080 0.010 . 305 . 163 THR H H 7.313 0.002 . 306 . 163 THR N N 115.449 0.010 . 307 . 164 VAL H H 8.515 0.002 . 308 . 164 VAL N N 123.371 0.010 . 309 . 165 ARG H H 8.173 0.002 . 310 . 165 ARG N N 117.269 0.010 . 311 . 166 LYS H H 7.490 0.002 . 312 . 166 LYS N N 119.201 0.010 . 313 . 167 ARG H H 8.481 0.002 . 314 . 167 ARG N N 119.448 0.010 . 315 . 168 LEU H H 8.603 0.002 . 316 . 168 LEU N N 123.102 0.010 . 317 . 169 VAL H H 8.278 0.002 . 318 . 169 VAL N N 118.967 0.010 . 319 . 170 GLU H H 7.987 0.002 . 320 . 170 GLU N N 118.595 0.010 . 321 . 171 TYR H H 8.236 0.002 . 322 . 171 TYR N N 119.385 0.010 . 323 . 172 HIS H H 8.527 0.002 . 324 . 172 HIS N N 119.281 0.010 . 325 . 173 GLN H H 8.023 0.002 . 326 . 173 GLN N N 115.117 0.010 . 327 . 174 MET H H 8.595 0.002 . 328 . 174 MET N N 112.396 0.010 . 329 . 175 THR H H 7.892 0.002 . 330 . 175 THR N N 116.620 0.010 . 331 . 176 ALA H H 7.839 0.002 . 332 . 176 ALA N N 125.154 0.010 . 333 . 178 LEU H H 8.682 0.002 . 334 . 178 LEU N N 116.977 0.010 . 335 . 179 ILE H H 8.108 0.002 . 336 . 179 ILE N N 122.630 0.010 . 337 . 180 GLY H H 7.722 0.002 . 338 . 180 GLY N N 108.702 0.010 . 339 . 181 TYR H H 7.600 0.002 . 340 . 181 TYR N N 122.547 0.010 . 341 . 182 TYR H H 9.045 0.002 . 342 . 182 TYR N N 116.316 0.010 . 343 . 183 SER H H 8.314 0.002 . 344 . 183 SER N N 119.223 0.010 . 345 . 184 LYS H H 7.699 0.002 . 346 . 184 LYS N N 122.763 0.010 . 347 . 185 GLU H H 8.631 0.002 . 348 . 185 GLU N N 120.481 0.010 . 349 . 186 ALA H H 8.302 0.002 . 350 . 186 ALA N N 122.256 0.010 . 351 . 187 GLU H H 8.113 0.002 . 352 . 187 GLU N N 122.057 0.010 . 353 . 188 ALA H H 7.461 0.002 . 354 . 188 ALA N N 118.215 0.010 . 355 . 189 GLY H H 7.875 0.002 . 356 . 189 GLY N N 104.804 0.010 . 357 . 190 ASN H H 8.181 0.002 . 358 . 190 ASN N N 116.418 0.010 . 359 . 191 THR H H 7.497 0.002 . 360 . 191 THR N N 112.286 0.010 . 361 . 192 LYS H H 7.801 0.002 . 362 . 192 LYS N N 122.741 0.010 . 363 . 193 TYR H H 8.641 0.002 . 364 . 193 TYR N N 125.151 0.010 . 365 . 194 ALA H H 8.559 0.002 . 366 . 194 ALA N N 130.919 0.010 . 367 . 195 LYS H H 8.405 0.002 . 368 . 195 LYS N N 121.961 0.010 . 369 . 196 VAL H H 9.286 0.002 . 370 . 196 VAL N N 124.784 0.010 . 371 . 197 ASP H H 8.748 0.002 . 372 . 197 ASP N N 123.606 0.010 . 373 . 198 GLY H H 8.403 0.002 . 374 . 198 GLY N N 111.547 0.010 . 375 . 199 THR H H 8.791 0.002 . 376 . 199 THR N N 111.601 0.010 . 377 . 200 LYS H H 6.399 0.002 . 378 . 200 LYS N N 122.114 0.010 . 379 . 202 VAL H H 8.215 0.002 . 380 . 202 VAL N N 122.258 0.010 . 381 . 203 ALA H H 8.856 0.002 . 382 . 203 ALA N N 117.798 0.010 . 383 . 204 GLU H H 7.397 0.002 . 384 . 204 GLU N N 117.918 0.010 . 385 . 205 VAL H H 7.964 0.002 . 386 . 205 VAL N N 121.320 0.010 . 387 . 206 ARG H H 7.767 0.002 . 388 . 206 ARG N N 118.154 0.010 . 389 . 207 ALA H H 7.233 0.002 . 390 . 207 ALA N N 119.867 0.010 . 391 . 208 ASP H H 8.068 0.002 . 392 . 208 ASP N N 120.679 0.010 . 393 . 209 LEU H H 8.353 0.002 . 394 . 209 LEU N N 120.559 0.010 . 395 . 210 GLU H H 7.867 0.002 . 396 . 210 GLU N N 120.859 0.010 . 397 . 211 LYS H H 7.465 0.002 . 398 . 211 LYS N N 117.629 0.010 . 399 . 212 ILE H H 7.313 0.002 . 400 . 212 ILE N N 118.799 0.010 . 401 . 213 LEU H H 7.959 0.002 . 402 . 213 LEU N N 117.057 0.010 . 403 . 214 GLY H H 7.695 0.002 . 404 . 214 GLY N N 111.787 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 966.2 19.9 2 3 ILE N 910.3 19.1 3 4 ILE N 920.8 18.4 4 5 LEU N 871.7 18.3 5 6 LEU N 890.4 18.0 6 7 GLY N 873.6 18.4 7 8 ALA N 873.9 18.1 8 10 GLY N 884.6 18.4 9 11 ALA N 857.0 18.0 10 12 GLY N 844.0 17.3 11 13 LYS N 838.5 18.1 12 14 GLY N 800.0 24.8 13 15 THR N 900.2 19.2 14 16 GLN N 852.2 18.2 15 17 ALA N 843.3 18.0 16 18 GLN N 870.7 17.7 17 19 PHE N 863.9 18.2 18 20 ILE N 896.3 26.8 19 21 MET N 858.5 18.3 20 22 GLU N 870.9 18.2 21 23 LYS N 892.1 19.2 22 24 TYR N 894.1 18.8 23 25 GLY N 912.1 19.4 24 26 ILE N 883.6 18.7 25 28 GLN N 903.0 18.7 26 29 ILE N 892.7 18.6 27 30 SER N 914.6 18.3 28 31 THR N 850.5 17.7 29 32 GLY N 874.9 24.8 30 33 ASP N 977.3 19.9 31 34 MET N 867.0 18.5 32 35 LEU N 877.4 18.0 33 36 ARG N 878.9 17.7 34 37 ALA N 883.6 18.7 35 38 ALA N 914.2 19.2 36 39 VAL N 882.7 18.8 37 40 LYS N 904.8 19.0 38 41 SER N 905.8 18.9 39 42 GLY N 835.8 18.1 40 43 SER N 873.4 18.9 41 44 GLU N 896.4 18.9 42 45 LEU N 863.9 18.9 43 46 GLY N 845.5 17.8 44 48 GLN N 866.2 18.9 45 49 ALA N 882.7 18.8 46 50 LYS N 884.9 18.3 47 51 ASP N 881.4 18.9 48 52 ILE N 895.4 18.2 49 53 MET N 852.9 18.5 50 54 ASP N 864.0 18.0 51 55 ALA N 901.3 18.3 52 56 GLY N 852.8 17.8 53 57 LYS N 886.0 18.0 54 58 LEU N 890.4 18.3 55 59 VAL N 882.4 18.0 56 60 THR N 902.1 18.0 57 61 ASP N 860.4 17.7 58 62 GLU N 866.0 18.0 59 63 LEU N 860.3 17.8 60 64 VAL N 877.1 17.8 61 65 ILE N 847.3 17.3 62 66 ALA N 856.7 17.5 63 67 LEU N 877.4 17.7 64 68 VAL N 856.1 17.8 65 69 LYS N 851.5 18.4 66 70 GLU N 880.9 18.3 67 71 ARG N 869.5 18.2 68 72 ILE N 849.5 18.1 69 73 ALA N 863.9 18.3 70 74 GLN N 927.1 18.7 71 75 GLU N 896.4 18.9 72 76 ASP N 879.1 18.4 73 77 CYS N 902.1 19.4 74 78 ARG N 886.9 19.1 75 79 ASN N 948.5 19.8 76 80 GLY N 940.4 19.3 77 81 PHE N 910.4 19.3 78 82 LEU N 919.8 27.4 79 83 LEU N 911.2 19.1 80 84 ASP N 913.3 18.4 81 85 GLY N 887.4 17.8 82 86 PHE N 846.1 17.5 83 88 ARG N 925.8 19.4 84 89 THR N 865.1 17.7 85 90 ILE N 880.6 18.9 86 92 GLN N 888.7 17.9 87 93 ALA N 856.7 18.6 88 94 ASP N 870.0 18.1 89 95 ALA N 885.6 18.4 90 96 MET N 872.6 18.6 91 97 LYS N 885.1 19.0 92 98 GLU N 918.6 19.3 93 99 ALA N 925.6 18.8 94 100 GLY N 876.5 18.3 95 101 ILE N 903.0 18.7 96 102 ASN N 926.7 19.1 97 103 VAL N 948.7 18.9 98 104 ASP N 905.1 18.5 99 105 TYR N 905.6 19.3 100 106 VAL N 952.1 19.1 101 107 LEU N 900.4 18.4 102 108 GLU N 920.0 18.4 103 109 PHE N 906.4 18.5 104 110 ASP N 940.3 19.4 105 111 VAL N 947.4 20.1 106 113 ASP N 919.3 18.4 107 114 GLU N 883.8 18.9 108 115 LEU N 904.1 18.3 109 116 ILE N 880.8 18.2 110 117 VAL N 864.4 18.0 111 118 ASP N 873.6 18.5 112 119 ARG N 884.7 18.3 113 120 ILE N 889.5 19.2 114 121 VAL N 839.4 17.9 115 122 GLY N 882.5 17.8 116 123 ARG N 838.2 18.6 117 124 ARG N 872.7 18.6 118 125 VAL N 866.0 18.0 119 126 HIS N 903.8 18.9 120 127 ALA N 931.4 19.7 121 129 SER N 922.1 19.3 122 130 GLY N 890.4 18.4 123 131 ARG N 862.1 18.2 124 132 VAL N 914.8 18.7 125 133 TYR N 899.7 18.5 126 134 HIS N 871.5 18.2 127 135 VAL N 879.5 18.4 128 136 LYS N 892.6 18.4 129 137 PHE N 943.9 19.7 130 138 ASN N 919.4 18.8 131 141 LYS N 908.2 18.6 132 142 VAL N 927.3 18.6 133 143 GLU N 952.1 19.8 134 144 GLY N 925.4 18.6 135 145 LYS N 856.2 18.0 136 146 ASP N 890.9 18.9 137 147 ASP N 893.3 18.5 138 148 VAL N 916.8 19.2 139 149 THR N 908.6 19.3 140 150 GLY N 867.8 18.4 141 151 GLU N 884.0 19.1 142 152 GLU N 924.8 18.5 143 153 LEU N 883.9 18.2 144 154 THR N 911.8 18.6 145 155 THR N 907.6 19.2 146 156 ARG N 841.8 18.1 147 157 LYS N 934.9 28.1 148 158 ASP N 818.4 16.9 149 159 ASP N 884.2 18.2 150 160 GLN N 947.0 19.1 151 161 GLU N 939.4 19.7 152 162 GLU N 889.6 18.8 153 163 THR N 941.3 19.3 154 164 VAL N 903.6 18.6 155 165 ARG N 904.1 19.0 156 166 LYS N 924.6 19.4 157 167 ARG N 911.9 18.7 158 168 LEU N 914.6 18.5 159 169 VAL N 900.2 19.2 160 170 GLU N 914.8 18.7 161 171 TYR N 905.4 19.0 162 172 HIS N 903.1 18.6 163 173 GLN N 941.3 19.4 164 174 MET N 957.9 19.1 165 175 THR N 931.1 19.2 166 176 ALA N 873.4 18.3 167 178 LEU N 903.1 18.0 168 179 ILE N 891.3 19.3 169 180 GLY N 921.5 19.6 170 181 TYR N 902.6 19.5 171 182 TYR N 900.2 19.1 172 183 SER N 867.0 18.5 173 184 LYS N 876.1 18.7 174 185 GLU N 898.9 18.3 175 186 ALA N 879.6 19.0 176 187 GLU N 883.6 18.7 177 188 ALA N 930.0 19.6 178 189 GLY N 914.5 18.9 179 190 ASN N 816.5 17.8 180 191 THR N 874.2 18.7 181 192 LYS N 914.2 19.2 182 193 TYR N 946.0 18.8 183 194 ALA N 902.2 18.4 184 195 LYS N 990.1 20.6 185 196 VAL N 900.0 18.5 186 197 ASP N 922.3 18.6 187 198 GLY N 938.4 19.6 188 199 THR N 870.2 17.6 189 200 LYS N 916.3 18.9 190 202 VAL N 921.2 19.4 191 203 ALA N 895.0 18.5 192 204 GLU N 898.8 18.7 193 205 VAL N 915.6 18.6 194 206 ARG N 923.2 19.4 195 207 ALA N 912.2 18.6 196 208 ASP N 925.2 19.3 197 209 LEU N 925.6 19.8 198 210 GLU N 946.7 19.8 199 211 LYS N 911.3 19.2 200 212 ILE N 994.1 20.3 201 213 LEU N 911.6 18.5 202 214 GLY N 833.6 18.1 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 1510.5 33.7 2 3 ILE N 1409.5 31.0 3 4 ILE N 1406.3 30.5 4 5 LEU N 1412.8 31.1 5 6 LEU N 1374.6 29.5 6 7 GLY N 1330.8 28.2 7 8 ALA N 1305.7 27.5 8 10 GLY N 1352.7 29.6 9 11 ALA N 1265.2 26.7 10 12 GLY N 1237.7 14.6 11 13 LYS N 1231.4 25.3 12 14 GLY N 1190.7 13.3 13 15 THR N 1393.7 30.2 14 16 GLN N 1341.7 28.5 15 17 ALA N 1277.9 26.9 16 18 GLN N 1311.8 27.8 17 19 PHE N 1306.8 27.5 18 20 ILE N 1364.1 29.4 19 21 MET N 1314.2 27.8 20 22 GLU N 1316.2 27.8 21 23 LYS N 1360.2 29.1 22 24 TYR N 1380.0 29.7 23 25 GLY N 1366.8 29.4 24 26 ILE N 1354.4 28.9 25 28 GLN N 1369.1 29.3 26 29 ILE N 1378.1 29.9 27 30 SER N 1373.4 29.6 28 31 THR N 1244.0 26.0 29 32 GLY N 1366.2 17.7 30 33 ASP N 1423.4 31.0 31 34 MET N 1311.5 27.7 32 35 LEU N 1336.6 28.3 33 36 ARG N 1358.6 29.0 34 37 ALA N 1354.4 28.9 35 38 ALA N 1402.1 30.4 36 39 VAL N 1344.4 28.6 37 40 LYS N 1356.1 29.1 38 41 SER N 1347.6 28.8 39 42 GLY N 1223.3 25.4 40 43 SER N 1250.9 25.9 41 44 GLU N 1278.1 27.5 42 45 LEU N 1216.2 25.3 43 46 GLY N 1275.6 26.6 44 48 GLN N 1266.3 26.3 45 49 ALA N 1319.3 27.9 46 50 LYS N 1342.2 28.6 47 51 ASP N 1288.3 27.2 48 52 ILE N 1339.0 28.5 49 53 MET N 1307.2 27.7 50 54 ASP N 1304.6 27.4 51 55 ALA N 1341.7 28.5 52 56 GLY N 1316.4 27.8 53 57 LYS N 1305.1 27.7 54 58 LEU N 1314.4 27.9 55 59 VAL N 1365.9 29.4 56 60 THR N 1342.2 28.8 57 61 ASP N 1412.5 30.8 58 62 GLU N 1283.2 26.9 59 63 LEU N 1321.4 27.8 60 64 VAL N 1331.8 28.4 61 65 ILE N 1318.2 28.1 62 66 ALA N 1273.8 26.5 63 67 LEU N 1317.0 27.8 64 68 VAL N 1296.5 27.1 65 69 LYS N 1307.2 27.5 66 70 GLU N 1343.1 28.6 67 71 ARG N 1351.1 29.1 68 72 ILE N 1307.5 27.5 69 73 ALA N 1298.4 27.1 70 74 GLN N 1412.9 30.8 71 75 GLU N 1278.1 27.5 72 76 ASP N 1311.4 27.6 73 77 CYS N 1397.2 30.3 74 78 ARG N 1339.3 28.5 75 79 ASN N 1361.6 29.8 76 80 GLY N 1416.4 30.8 77 81 PHE N 1413.7 30.7 78 82 LEU N 1373.4 29.6 79 83 LEU N 1429.2 31.2 80 84 ASP N 1396.2 30.1 81 85 GLY N 1325.6 16.3 82 86 PHE N 1289.6 26.9 83 88 ARG N 1275.1 26.4 84 89 THR N 1356.2 29.0 85 90 ILE N 1334.6 28.3 86 92 GLN N 1363.8 29.3 87 93 ALA N 1321.2 28.0 88 94 ASP N 1332.6 28.3 89 95 ALA N 1342.4 28.6 90 96 MET N 1313.3 27.5 91 97 LYS N 1382.8 29.8 92 98 GLU N 1427.5 31.4 93 99 ALA N 1398.2 30.3 94 100 GLY N 1327.5 28.2 95 101 ILE N 1369.1 29.3 96 102 ASN N 1354.4 29.0 97 103 VAL N 1385.6 30.1 98 104 ASP N 1401.8 30.4 99 105 TYR N 1426.8 31.2 100 106 VAL N 1486.7 33.2 101 107 LEU N 1418.1 31.0 102 108 GLU N 1429.9 31.5 103 109 PHE N 1433.3 32.0 104 110 ASP N 1412.5 30.8 105 111 VAL N 1461.4 32.2 106 113 ASP N 1408.5 30.5 107 114 GLU N 1353.8 29.0 108 115 LEU N 1324.7 28.2 109 116 ILE N 1363.6 29.4 110 117 VAL N 1337.5 28.4 111 118 ASP N 1329.5 28.2 112 119 ARG N 1364.1 30.0 113 120 ILE N 1208.8 24.6 114 121 VAL N 1343.4 28.7 115 122 GLY N 1323.1 27.9 116 123 ARG N 1247.8 25.7 117 124 ARG N 1381.6 29.5 118 125 VAL N 1305.3 27.6 119 126 HIS N 1378.7 29.7 120 127 ALA N 1419.8 31.2 121 129 SER N 1395.6 30.2 122 130 GLY N 1335.6 28.3 123 131 ARG N 1298.0 27.3 124 132 VAL N 1304.1 27.6 125 133 TYR N 1386.3 30.1 126 134 HIS N 1396.6 30.2 127 135 VAL N 1358.4 29.6 128 136 LYS N 1353.4 29.0 129 137 PHE N 1433.0 32.7 130 138 ASN N 1309.6 28.0 131 141 LYS N 1377.5 29.7 132 142 VAL N 1423.8 31.2 133 143 GLU N 1452.5 32.0 134 144 GLY N 1415.7 30.9 135 145 LYS N 1275.1 26.4 136 146 ASP N 1374.2 29.7 137 147 ASP N 1371.5 29.5 138 148 VAL N 1375.0 29.6 139 149 THR N 1410.6 30.7 140 150 GLY N 1307.8 27.5 141 151 GLU N 1328.6 28.3 142 152 GLU N 1402.5 30.5 143 153 LEU N 1364.1 29.4 144 154 THR N 1365.9 29.3 145 155 THR N 1365.5 29.6 146 156 ARG N 1226.2 25.6 147 157 LYS N 1408.5 30.5 148 158 ASP N 1246.3 25.8 149 159 ASP N 1389.7 31.0 150 160 GLN N 1369.8 29.4 151 161 GLU N 1366.4 30.0 152 162 GLU N 1333.0 28.3 153 163 THR N 1394.4 30.2 154 164 VAL N 1371.5 29.7 155 165 ARG N 1392.1 29.9 156 166 LYS N 1427.5 31.4 157 167 ARG N 1314.2 27.8 158 168 LEU N 1401.8 30.4 159 169 VAL N 1393.7 30.2 160 170 GLU N 1304.1 27.6 161 171 TYR N 1376.2 29.8 162 172 HIS N 1391.9 30.2 163 173 GLN N 1449.8 31.8 164 174 MET N 1458.7 32.1 165 175 THR N 1455.5 32.2 166 176 ALA N 1300.6 27.2 167 178 LEU N 1403.6 31.1 168 179 ILE N 1326.2 28.0 169 180 GLY N 1397.9 30.4 170 181 TYR N 1380.0 29.8 171 182 TYR N 1387.2 29.9 172 183 SER N 1311.5 27.7 173 184 LYS N 1348.7 28.9 174 185 GLU N 1358.9 29.1 175 186 ALA N 1342.7 28.6 176 187 GLU N 1354.4 28.9 177 188 ALA N 1428.2 31.3 178 189 GLY N 1391.5 30.2 179 190 ASN N 1208.8 24.7 180 191 THR N 1329.2 28.2 181 192 LYS N 1402.1 30.4 182 193 TYR N 1446.8 31.8 183 194 ALA N 1386.6 29.8 184 195 LYS N 1522.5 34.4 185 196 VAL N 1386.3 30.1 186 197 ASP N 1420.6 31.1 187 198 GLY N 1444.5 32.0 188 199 THR N 1305.9 27.6 189 200 LYS N 1371.2 29.4 190 202 VAL N 1417.9 31.0 191 203 ALA N 1352.0 29.0 192 204 GLU N 1398.2 30.3 193 205 VAL N 1411.1 30.7 194 206 ARG N 1403.6 30.6 195 207 ALA N 1373.3 29.6 196 208 ASP N 1414.8 30.8 197 209 LEU N 1419.4 31.0 198 210 GLU N 1414.5 30.6 199 211 LYS N 1387.8 29.9 200 212 ILE N 1476.0 32.9 201 213 LEU N 1412.2 30.8 202 214 GLY N 1146.1 22.9 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 64.86 1.09 . . 2 3 ILE N 66.10 1.11 . . 3 4 ILE N 68.03 1.15 . . 4 5 LEU N 63.74 1.06 . . 5 6 LEU N 66.78 1.11 . . 6 7 GLY N 69.32 1.19 . . 7 8 ALA N 58.01 0.96 . . 8 10 GLY N 48.49 0.89 . . 9 11 ALA N 55.33 0.91 . . 10 12 GLY N 62.16 1.04 . . 11 13 LYS N 67.85 1.14 . . 12 14 GLY N 59.75 1.05 . . 13 15 THR N 61.05 1.00 . . 14 16 GLN N 63.84 1.05 . . 15 17 ALA N 62.78 1.06 . . 16 18 GLN N 67.57 1.13 . . 17 19 PHE N 64.44 1.08 . . 18 20 ILE N 68.96 0.95 . . 19 21 MET N 62.90 1.04 . . 20 22 GLU N 67.66 1.12 . . 21 23 LYS N 66.30 1.09 . . 22 24 TYR N 66.68 1.12 . . 23 25 GLY N 66.58 1.10 . . 24 26 ILE N 64.23 1.07 . . 25 28 GLN N 69.04 1.16 . . 26 29 ILE N 48.85 0.89 . . 27 30 SER N 66.90 1.11 . . 28 31 THR N 63.53 1.05 . . 29 32 GLY N 48.38 0.91 . . 30 33 ASP N 75.03 1.33 . . 31 34 MET N 59.75 0.99 . . 32 35 LEU N 65.03 1.09 . . 33 36 ARG N 64.04 1.07 . . 34 37 ALA N 64.23 1.07 . . 35 38 ALA N 69.51 1.16 . . 36 39 VAL N 69.84 1.19 . . 37 40 LYS N 66.25 1.09 . . 38 41 SER N 70.76 1.19 . . 39 42 GLY N 70.46 1.18 . . 40 43 SER N 72.56 1.23 . . 41 44 GLU N 65.53 1.11 . . 42 45 LEU N 69.97 1.19 . . 43 46 GLY N 70.28 1.16 . . 44 48 GLN N 71.61 1.20 . . 45 49 ALA N 69.84 1.19 . . 46 50 LYS N 67.99 1.12 . . 47 51 ASP N 68.93 1.16 . . 48 52 ILE N 70.80 1.20 . . 49 53 MET N 64.18 1.07 . . 50 54 ASP N 63.49 1.06 . . 51 55 ALA N 66.88 1.11 . . 52 56 GLY N 68.15 1.14 . . 53 57 LYS N 62.06 1.03 . . 54 58 LEU N 69.83 1.20 . . 55 59 VAL N 66.48 1.13 . . 56 60 THR N 67.13 1.12 . . 57 61 ASP N 64.89 1.10 . . 58 62 GLU N 66.26 1.10 . . 59 63 LEU N 62.71 1.04 . . 60 64 VAL N 64.71 1.06 . . 61 65 ILE N 62.04 1.06 . . 62 66 ALA N 63.76 1.06 . . 63 67 LEU N 66.81 1.12 . . 64 68 VAL N 64.94 1.02 . . 65 69 LYS N 63.54 1.06 . . 66 70 GLU N 65.68 1.10 . . 67 71 ARG N 65.66 1.10 . . 68 72 ILE N 56.60 0.94 . . 69 73 ALA N 60.51 1.00 . . 70 74 GLN N 70.44 1.19 . . 71 75 GLU N 65.53 1.11 . . 72 76 ASP N 63.25 1.05 . . 73 77 CYS N 60.72 1.00 . . 74 78 ARG N 65.47 1.08 . . 75 79 ASN N 69.42 1.17 . . 76 80 GLY N 75.01 1.28 . . 77 81 PHE N 67.44 1.14 . . 78 82 LEU N 65.01 1.08 . . 79 83 LEU N 62.93 1.05 . . 80 84 ASP N 46.92 0.88 . . 81 85 GLY N 57.73 0.93 . . 82 86 PHE N 62.77 1.01 . . 83 88 ARG N 61.20 1.00 . . 84 89 THR N 66.58 1.10 . . 85 90 ILE N 65.75 1.10 . . 86 92 GLN N 65.03 1.08 . . 87 93 ALA N 65.12 1.09 . . 88 94 ASP N 62.84 1.06 . . 89 95 ALA N 63.09 1.05 . . 90 96 MET N 65.03 1.11 . . 91 97 LYS N 63.98 1.05 . . 92 98 GLU N 62.09 1.03 . . 93 99 ALA N 66.99 1.13 . . 94 100 GLY N 71.33 1.18 . . 95 101 ILE N 69.04 1.16 . . 96 102 ASN N 83.39 1.52 . . 97 103 VAL N 77.98 1.37 . . 98 104 ASP N 61.59 1.01 . . 99 105 TYR N 65.65 1.10 . . 100 106 VAL N 69.55 1.15 . . 101 107 LEU N 67.79 1.13 . . 102 108 GLU N 66.23 1.10 . . 103 109 PHE N 68.13 1.15 . . 104 110 ASP N 69.32 1.19 . . 105 111 VAL N 66.59 1.12 . . 106 113 ASP N 63.71 1.06 . . 107 114 GLU N 64.16 1.07 . . 108 115 LEU N 63.41 1.04 . . 109 116 ILE N 62.80 1.05 . . 110 117 VAL N 62.37 1.03 . . 111 118 ASP N 68.95 1.15 . . 112 119 ARG N 59.74 0.98 . . 113 120 ILE N 67.09 0.94 . . 114 121 VAL N 57.60 0.95 . . 115 122 GLY N 57.23 0.93 . . 116 123 ARG N 59.66 0.97 . . 117 124 ARG N 57.96 0.94 . . 118 125 VAL N 66.26 1.10 . . 119 126 HIS N 65.56 1.09 . . 120 127 ALA N 66.27 1.11 . . 121 129 SER N 68.15 1.14 . . 122 130 GLY N 65.47 1.09 . . 123 131 ARG N 64.68 1.06 . . 124 132 VAL N 64.41 1.05 . . 125 133 TYR N 64.88 1.08 . . 126 134 HIS N 66.85 1.11 . . 127 135 VAL N 64.34 1.05 . . 128 136 LYS N 64.29 1.07 . . 129 137 PHE N 69.10 1.18 . . 130 138 ASN N 70.17 1.17 . . 131 141 LYS N 70.81 1.19 . . 132 142 VAL N 68.05 1.15 . . 133 143 GLU N 71.50 1.21 . . 134 144 GLY N 68.07 1.18 . . 135 145 LYS N 65.87 1.09 . . 136 146 ASP N 65.64 1.11 . . 137 147 ASP N 67.28 1.12 . . 138 148 VAL N 70.38 1.17 . . 139 149 THR N 68.15 1.14 . . 140 150 GLY N 64.88 1.07 . . 141 151 GLU N 63.44 1.05 . . 142 152 GLU N 73.09 1.24 . . 143 153 LEU N 65.57 1.09 . . 144 154 THR N 68.97 1.15 . . 145 155 THR N 59.35 0.98 . . 146 156 ARG N 67.01 1.13 . . 147 157 LYS N 67.53 0.95 . . 148 158 ASP N 66.33 1.11 . . 149 159 ASP N 37.65 0.65 . . 150 160 GLN N 83.44 1.50 . . 151 161 GLU N 63.90 1.06 . . 152 162 GLU N 64.41 1.07 . . 153 163 THR N 65.15 1.09 . . 154 164 VAL N 60.74 1.00 . . 155 165 ARG N 58.78 0.97 . . 156 166 LYS N 59.80 0.98 . . 157 167 ARG N 60.04 0.98 . . 158 168 LEU N 66.01 1.10 . . 159 169 VAL N 61.05 1.00 . . 160 170 GLU N 64.41 1.05 . . 161 171 TYR N 60.66 1.00 . . 162 172 HIS N 58.61 0.96 . . 163 173 GLN N 62.96 1.04 . . 164 174 MET N 64.49 1.07 . . 165 175 THR N 64.48 1.05 . . 166 176 ALA N 61.65 1.01 . . 167 178 LEU N 60.64 1.01 . . 168 179 ILE N 62.56 1.05 . . 169 180 GLY N 68.15 1.14 . . 170 181 TYR N 61.18 1.01 . . 171 182 TYR N 59.50 0.96 . . 172 183 SER N 59.75 0.99 . . 173 184 LYS N 63.94 1.06 . . 174 185 GLU N 64.80 1.07 . . 175 186 ALA N 61.85 1.02 . . 176 187 GLU N 64.23 1.07 . . 177 188 ALA N 64.55 1.07 . . 178 189 GLY N 69.64 1.15 . . 179 190 ASN N 68.95 1.15 . . 180 191 THR N 70.76 1.19 . . 181 192 LYS N 69.51 1.16 . . 182 193 TYR N 71.67 1.21 . . 183 194 ALA N 66.25 1.11 . . 184 195 LYS N 71.94 1.22 . . 185 196 VAL N 64.88 1.08 . . 186 197 ASP N 69.73 1.19 . . 187 198 GLY N 68.69 1.16 . . 188 199 THR N 59.41 0.95 . . 189 200 LYS N 62.72 1.04 . . 190 202 VAL N 64.07 1.06 . . 191 203 ALA N 59.84 0.99 . . 192 204 GLU N 64.47 1.06 . . 193 205 VAL N 62.79 1.04 . . 194 206 ARG N 60.86 1.01 . . 195 207 ALA N 61.58 1.01 . . 196 208 ASP N 62.80 1.04 . . 197 209 LEU N 60.44 1.00 . . 198 210 GLU N 61.91 1.00 . . 199 211 LYS N 63.57 1.05 . . 200 212 ILE N 66.08 1.11 . . 201 213 LEU N 65.12 1.07 . . 202 214 GLY N 82.37 1.49 . . 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 55.73 0.59 . . 2 3 ILE N 59.49 0.59 . . 3 4 ILE N 56.44 0.59 . . 4 5 LEU N 49.96 0.62 . . 5 6 LEU N 52.04 0.60 . . 6 7 GLY N 59.09 0.59 . . 7 8 ALA N 43.30 0.62 . . 8 10 GLY N 49.93 0.61 . . 9 11 ALA N 49.88 0.61 . . 10 12 GLY N 54.25 1.20 . . 11 13 LYS N 57.70 0.59 . . 12 14 GLY N 39.95 0.88 . . 13 15 THR N 52.28 0.60 . . 14 16 GLN N 52.60 0.62 . . 15 17 ALA N 52.52 0.59 . . 16 18 GLN N 57.06 0.59 . . 17 19 PHE N 53.83 0.60 . . 18 20 ILE N 57.33 0.59 . . 19 21 MET N 52.51 0.60 . . 20 22 GLU N 55.85 0.59 . . 21 23 LYS N 56.85 0.59 . . 22 24 TYR N 59.44 0.58 . . 23 25 GLY N 53.49 0.60 . . 24 26 ILE N 56.28 0.59 . . 25 28 GLN N 60.29 0.59 . . 26 29 ILE N 35.01 0.54 . . 27 30 SER N 64.96 1.56 . . 28 31 THR N 49.92 0.61 . . 29 32 GLY N 40.51 0.77 . . 30 33 ASP N 67.39 0.80 . . 31 34 MET N 49.36 0.61 . . 32 35 LEU N 55.66 0.59 . . 33 36 ARG N 52.12 0.60 . . 34 37 ALA N 56.28 0.59 . . 35 38 ALA N 60.47 0.60 . . 36 39 VAL N 53.10 0.60 . . 37 40 LYS N 54.78 0.59 . . 38 41 SER N 59.90 0.59 . . 39 42 GLY N 58.23 0.58 . . 40 43 SER N 60.38 0.61 . . 41 44 GLU N 57.37 0.58 . . 42 45 LEU N 60.67 0.61 . . 43 46 GLY N 58.74 0.58 . . 44 48 GLN N 59.86 0.59 . . 45 49 ALA N 61.50 0.63 . . 46 50 LYS N 55.25 0.59 . . 47 51 ASP N 56.11 0.59 . . 48 52 ILE N 59.50 0.59 . . 49 53 MET N 54.28 0.60 . . 50 54 ASP N 51.63 0.60 . . 51 55 ALA N 54.12 0.60 . . 52 56 GLY N 53.10 0.60 . . 53 57 LYS N 49.05 0.62 . . 54 58 LEU N 59.51 0.58 . . 55 59 VAL N 59.22 0.59 . . 56 60 THR N 53.61 0.59 . . 57 61 ASP N 58.82 1.39 . . 58 62 GLU N 54.76 0.59 . . 59 63 LEU N 42.42 0.62 . . 60 64 VAL N 46.72 0.61 . . 61 65 ILE N 51.98 0.60 . . 62 66 ALA N 48.99 0.61 . . 63 67 LEU N 54.32 0.59 . . 64 68 VAL N 50.26 0.61 . . 65 69 LYS N 55.41 0.59 . . 66 70 GLU N 55.62 0.59 . . 67 71 ARG N 55.22 0.60 . . 68 72 ILE N 45.81 0.61 . . 69 73 ALA N 51.29 0.60 . . 70 74 GLN N 59.34 0.59 . . 71 75 GLU N 60.38 0.61 . . 72 76 ASP N 51.96 0.61 . . 73 77 CYS N 50.78 0.61 . . 74 78 ARG N 54.73 0.60 . . 75 79 ASN N 61.10 0.62 . . 76 80 GLY N 62.58 0.65 . . 77 81 PHE N 56.66 0.59 . . 78 82 LEU N 55.13 0.59 . . 79 83 LEU N 54.72 0.59 . . 80 84 ASP N 38.56 0.60 . . 81 85 GLY N 54.87 1.21 . . 82 86 PHE N 50.97 0.60 . . 83 88 ARG N 54.49 0.60 . . 84 89 THR N 55.55 0.59 . . 85 90 ILE N 55.46 0.59 . . 86 92 GLN N 54.92 0.60 . . 87 93 ALA N 57.72 0.58 . . 88 94 ASP N 53.17 0.60 . . 89 95 ALA N 53.13 0.60 . . 90 96 MET N 52.27 0.60 . . 91 97 LYS N 59.87 1.40 . . 92 98 GLU N 53.85 0.60 . . 93 99 ALA N 57.26 0.59 . . 94 100 GLY N 57.39 0.59 . . 95 101 ILE N 60.29 0.59 . . 96 102 ASN N 71.82 0.98 . . 97 103 VAL N 66.86 0.80 . . 98 104 ASP N 47.85 0.60 . . 99 105 TYR N 57.50 0.59 . . 100 106 VAL N 62.12 0.64 . . 101 107 LEU N 58.99 0.58 . . 102 108 GLU N 59.34 0.58 . . 103 109 PHE N 54.18 0.60 . . 104 110 ASP N 58.14 0.58 . . 105 111 VAL N 56.92 0.59 . . 106 113 ASP N 55.13 0.59 . . 107 114 GLU N 54.25 0.60 . . 108 115 LEU N 52.18 0.60 . . 109 116 ILE N 52.13 0.60 . . 110 117 VAL N 51.86 0.60 . . 111 118 ASP N 58.31 0.59 . . 112 119 ARG N 48.86 0.61 . . 113 120 ILE N 59.51 0.59 . . 114 121 VAL N 43.79 0.63 . . 115 122 GLY N 44.54 0.62 . . 116 123 ARG N 46.00 0.61 . . 117 124 ARG N 41.55 0.63 . . 118 125 VAL N 53.47 0.60 . . 119 126 HIS N 55.56 0.59 . . 120 127 ALA N 56.52 0.60 . . 121 129 SER N 57.37 0.59 . . 122 130 GLY N 55.60 0.59 . . 123 131 ARG N 54.31 0.60 . . 124 132 VAL N 51.63 0.60 . . 125 133 TYR N 52.20 0.60 . . 126 134 HIS N 56.12 0.59 . . 127 135 VAL N 53.27 0.61 . . 128 136 LYS N 56.29 0.59 . . 129 137 PHE N 67.99 1.64 . . 130 138 ASN N 59.77 0.59 . . 131 141 LYS N 60.21 0.59 . . 132 142 VAL N 59.01 0.59 . . 133 143 GLU N 62.53 0.65 . . 134 144 GLY N 61.04 0.61 . . 135 145 LYS N 54.49 0.60 . . 136 146 ASP N 57.53 0.59 . . 137 147 ASP N 55.85 0.59 . . 138 148 VAL N 58.49 0.58 . . 139 149 THR N 58.77 0.58 . . 140 150 GLY N 53.59 0.60 . . 141 151 GLU N 53.65 0.60 . . 142 152 GLU N 62.36 0.65 . . 143 153 LEU N 57.33 0.59 . . 144 154 THR N 58.79 0.58 . . 145 155 THR N 43.00 0.61 . . 146 156 ARG N 47.69 0.60 . . 147 157 LYS N 51.38 0.60 . . 148 158 ASP N 51.86 0.58 . . 149 159 ASP N 23.82 0.39 . . 150 160 GLN N 67.80 0.84 . . 151 161 GLU N 55.23 0.59 . . 152 162 GLU N 55.21 0.59 . . 153 163 THR N 54.39 0.60 . . 154 164 VAL N 50.88 0.60 . . 155 165 ARG N 48.82 0.62 . . 156 166 LYS N 56.59 1.30 . . 157 167 ARG N 54.28 1.23 . . 158 168 LEU N 54.92 0.59 . . 159 169 VAL N 52.28 0.60 . . 160 170 GLU N 51.63 0.60 . . 161 171 TYR N 48.21 0.61 . . 162 172 HIS N 47.95 0.62 . . 163 173 GLN N 50.62 0.60 . . 164 174 MET N 51.40 0.60 . . 165 175 THR N 48.23 0.61 . . 166 176 ALA N 49.70 0.61 . . 167 178 LEU N 49.88 0.60 . . 168 179 ILE N 53.47 0.60 . . 169 180 GLY N 53.29 0.60 . . 170 181 TYR N 52.59 0.60 . . 171 182 TYR N 50.65 0.61 . . 172 183 SER N 49.36 0.61 . . 173 184 LYS N 54.52 0.59 . . 174 185 GLU N 55.39 0.59 . . 175 186 ALA N 54.11 0.60 . . 176 187 GLU N 56.28 0.59 . . 177 188 ALA N 55.26 0.60 . . 178 189 GLY N 58.96 0.59 . . 179 190 ASN N 59.51 0.59 . . 180 191 THR N 61.06 0.62 . . 181 192 LYS N 60.47 0.60 . . 182 193 TYR N 60.00 0.59 . . 183 194 ALA N 54.81 0.60 . . 184 195 LYS N 63.08 0.67 . . 185 196 VAL N 52.20 0.60 . . 186 197 ASP N 60.68 0.60 . . 187 198 GLY N 59.86 0.59 . . 188 199 THR N 49.22 0.61 . . 189 200 LYS N 51.95 0.60 . . 190 202 VAL N 55.43 0.59 . . 191 203 ALA N 50.76 0.61 . . 192 204 GLU N 55.73 0.59 . . 193 205 VAL N 52.45 0.60 . . 194 206 ARG N 51.63 0.60 . . 195 207 ALA N 51.68 0.61 . . 196 208 ASP N 53.47 0.60 . . 197 209 LEU N 52.48 0.60 . . 198 210 GLU N 52.63 0.59 . . 199 211 LYS N 54.63 0.59 . . 200 212 ILE N 55.90 0.59 . . 201 213 LEU N 55.35 0.59 . . 202 214 GLY N 71.88 0.99 . . 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 0.786 0.007 3 ILE 0.797 0.007 4 ILE 0.809 0.007 5 LEU 0.806 0.014 6 LEU 0.810 0.008 7 GLY 0.752 0.007 8 ALA 0.821 0.009 10 GLY 0.825 0.023 11 ALA 0.797 0.009 12 GLY 0.834 0.015 13 LYS 0.728 0.007 15 THR 0.809 0.008 16 GLN 0.832 0.012 17 ALA 0.827 0.008 18 GLN 0.791 0.007 19 PHE 0.792 0.007 21 MET 0.802 0.011 22 GLU 0.792 0.011 23 LYS 0.783 0.007 24 TYR 0.795 0.007 25 GLY 0.796 0.007 26 ILE 0.805 0.007 28 GLN 0.766 0.007 29 ILE 0.798 0.007 30 SER 0.800 0.007 31 THR 0.828 0.008 32 GLY 0.835 0.025 33 ASP 0.613 0.018 34 MET 0.822 0.008 35 LEU 0.819 0.010 36 ARG 0.811 0.008 37 ALA 0.805 0.007 38 ALA 0.773 0.007 39 VAL 0.702 0.016 40 LYS 0.784 0.007 41 SER 0.746 0.007 42 GLY 0.763 0.007 43 SER 0.669 0.006 44 GLU 0.759 0.009 45 LEU 0.697 0.006 46 GLY 0.754 0.007 48 GLN 0.671 0.009 49 ALA 0.755 0.009 50 LYS 0.788 0.007 51 ASP 0.724 0.007 52 ILE 0.742 0.007 53 MET 0.796 0.007 54 ASP 0.797 0.009 55 ALA 0.783 0.007 56 GLY 0.794 0.007 57 LYS 0.796 0.007 58 LEU 0.695 0.008 59 VAL 0.789 0.011 60 THR 0.730 0.014 61 ASP 0.796 0.008 62 GLU 0.781 0.007 63 LEU 0.793 0.008 64 VAL 0.721 0.019 65 ILE 0.823 0.008 66 ALA 0.813 0.011 67 LEU 0.801 0.011 68 VAL 0.817 0.008 69 LYS 0.824 0.008 70 GLU 0.808 0.007 71 ARG 0.806 0.007 72 ILE 0.818 0.009 73 ALA 0.816 0.009 74 GLN 0.791 0.007 75 GLU 0.759 0.009 76 ASP 0.790 0.007 77 CYS 0.807 0.007 78 ARG 0.790 0.007 79 ASN 0.733 0.007 80 GLY 0.728 0.007 81 PHE 0.816 0.008 82 LEU 0.807 0.007 83 LEU 0.813 0.008 84 ASP 0.810 0.013 85 GLY 0.759 0.011 86 PHE 0.837 0.008 88 ARG 0.787 0.011 89 THR 0.832 0.008 90 ILE 0.817 0.008 92 GLN 0.828 0.008 93 ALA 0.836 0.008 94 ASP 0.826 0.008 95 ALA 0.818 0.008 96 MET 0.811 0.008 97 LYS 0.793 0.007 98 GLU 0.801 0.011 99 ALA 0.768 0.007 100 GLY 0.794 0.007 101 ILE 0.787 0.007 102 ASN 0.649 0.006 103 VAL 0.627 0.006 104 ASP 0.807 0.016 105 TYR 0.803 0.007 106 VAL 0.803 0.009 107 LEU 0.812 0.008 108 GLU 0.817 0.008 109 PHE 0.808 0.007 110 ASP 0.795 0.007 111 VAL 0.764 0.007 113 ASP 0.817 0.017 114 GLU 0.795 0.007 115 LEU 0.792 0.008 116 ILE 0.790 0.016 117 VAL 0.789 0.008 118 ASP 0.761 0.007 119 ARG 0.787 0.007 120 ILE 0.794 0.014 121 VAL 0.814 0.008 122 GLY 0.823 0.010 123 ARG 0.814 0.008 124 ARG 0.809 0.011 125 VAL 0.781 0.007 126 HIS 0.782 0.007 127 ALA 0.746 0.007 129 SER 0.776 0.010 130 GLY 0.771 0.007 131 ARG 0.800 0.009 132 VAL 0.766 0.008 133 TYR 0.759 0.007 134 HIS 0.805 0.012 135 VAL 0.798 0.007 136 LYS 0.787 0.007 137 PHE 0.775 0.019 138 ASN 0.776 0.007 141 LYS 0.784 0.007 142 VAL 0.768 0.007 143 GLU 0.755 0.008 144 GLY 0.775 0.007 145 LYS 0.786 0.007 146 ASP 0.794 0.007 147 ASP 0.802 0.007 148 VAL 0.781 0.007 149 THR 0.799 0.007 150 GLY 0.797 0.007 151 GLU 0.791 0.007 152 GLU 0.734 0.007 153 LEU 0.742 0.009 154 THR 0.777 0.007 155 THR 0.757 0.008 156 ARG 0.773 0.013 158 ASP 0.730 0.007 159 ASP 0.780 0.013 160 GLN 0.593 0.006 161 GLU 0.781 0.007 162 GLU 0.754 0.007 163 THR 0.781 0.007 164 VAL 0.817 0.009 165 ARG 0.816 0.008 166 LYS 0.816 0.008 167 ARG 0.821 0.010 168 LEU 0.799 0.010 169 VAL 0.807 0.007 170 GLU 0.766 0.008 171 TYR 0.835 0.014 172 HIS 0.832 0.008 173 GLN 0.820 0.008 174 MET 0.809 0.007 175 THR 0.823 0.008 176 ALA 0.820 0.008 178 LEU 0.823 0.009 179 ILE 0.826 0.008 180 GLY 0.829 0.008 181 TYR 0.831 0.008 182 TYR 0.839 0.008 183 SER 0.822 0.008 184 LYS 0.815 0.008 185 GLU 0.786 0.008 186 ALA 0.809 0.008 187 GLU 0.805 0.007 188 ALA 0.786 0.007 189 GLY 0.796 0.007 190 ASN 0.813 0.009 191 THR 0.771 0.007 192 LYS 0.773 0.007 193 TYR 0.756 0.007 194 ALA 0.823 0.008 195 LYS 0.772 0.007 196 VAL 0.759 0.007 197 ASP 0.785 0.007 198 GLY 0.804 0.007 199 THR 0.828 0.009 200 LYS 0.801 0.008 202 VAL 0.818 0.009 203 ALA 0.822 0.008 204 GLU 0.793 0.007 205 VAL 0.818 0.008 206 ARG 0.821 0.008 207 ALA 0.818 0.008 208 ASP 0.801 0.009 209 LEU 0.796 0.007 210 GLU 0.831 0.009 211 LYS 0.789 0.007 212 ILE 0.765 0.007 213 LEU 0.783 0.008 214 GLY 0.572 0.005 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 0.810 0.012 3 ILE 0.812 0.012 4 ILE 0.845 0.013 5 LEU 0.801 0.012 6 LEU 0.824 0.012 7 GLY 0.773 0.012 8 ALA 0.842 0.013 10 GLY 0.807 0.012 11 ALA 0.866 0.013 12 GLY 0.682 0.010 13 LYS 0.746 0.011 14 GLY 0.784 0.012 15 THR 0.839 0.013 16 GLN 0.822 0.012 17 ALA 0.867 0.013 18 GLN 0.837 0.013 19 PHE 0.816 0.012 20 ILE 0.735 0.011 21 MET 0.830 0.013 22 GLU 0.820 0.012 23 LYS 0.800 0.012 24 TYR 0.831 0.013 25 GLY 0.824 0.012 26 ILE 0.819 0.012 28 GLN 0.810 0.012 29 ILE 0.884 0.013 30 SER 0.825 0.012 31 THR 0.854 0.013 33 ASP 0.720 0.011 34 MET 0.859 0.013 35 LEU 0.846 0.013 36 ARG 0.835 0.013 37 ALA 0.819 0.012 38 ALA 0.772 0.012 39 VAL 0.811 0.012 40 LYS 0.795 0.012 41 SER 0.774 0.012 42 GLY 0.775 0.012 43 SER 0.703 0.012 44 GLU 0.762 0.012 45 LEU 0.715 0.011 46 GLY 0.770 0.012 48 GLN 0.685 0.010 49 ALA 0.707 0.011 50 LYS 0.812 0.012 51 ASP 0.746 0.011 52 ILE 0.753 0.011 53 MET 0.832 0.013 54 ASP 0.823 0.012 55 ALA 0.791 0.012 56 GLY 0.817 0.012 57 LYS 0.803 0.019 58 LEU 0.723 0.011 59 VAL 0.815 0.012 60 THR 0.783 0.020 61 ASP 0.813 0.012 62 GLU 0.829 0.013 63 LEU 0.835 0.016 64 VAL 0.828 0.022 65 ILE 0.837 0.015 66 ALA 0.855 0.013 67 LEU 0.816 0.012 68 VAL 0.808 0.012 69 LYS 0.856 0.013 70 GLU 0.819 0.012 71 ARG 0.825 0.012 72 ILE 0.849 0.013 73 ALA 0.839 0.013 74 GLN 0.800 0.012 75 GLU 0.762 0.012 76 ASP 0.813 0.012 77 CYS 0.823 0.012 78 ARG 0.806 0.012 79 ASN 0.751 0.011 80 GLY 0.740 0.011 81 PHE 0.826 0.012 82 LEU 0.843 0.013 83 LEU 0.847 0.013 84 ASP 0.820 0.022 86 PHE 0.851 0.013 88 ARG 0.812 0.012 89 THR 0.839 0.013 90 ILE 0.854 0.013 92 GLN 0.848 0.013 93 ALA 0.853 0.013 94 ASP 0.859 0.013 95 ALA 0.853 0.013 96 MET 0.813 0.012 97 LYS 0.815 0.012 98 GLU 0.843 0.013 99 ALA 0.787 0.012 100 GLY 0.810 0.012 101 ILE 0.810 0.012 102 ASN 0.681 0.010 103 VAL 0.640 0.010 104 ASP 0.804 0.013 105 TYR 0.830 0.013 106 VAL 0.822 0.012 107 LEU 0.836 0.013 108 GLU 0.840 0.013 109 PHE 0.829 0.013 110 ASP 0.813 0.012 111 VAL 0.791 0.012 113 ASP 0.843 0.013 114 GLU 0.817 0.012 115 LEU 0.785 0.016 116 ILE 0.810 0.012 117 VAL 0.835 0.013 118 ASP 0.796 0.014 119 ARG 0.810 0.021 120 ILE 0.830 0.013 121 VAL 0.772 0.012 122 GLY 0.827 0.012 123 ARG 0.866 0.014 124 ARG 0.774 0.012 125 VAL 0.811 0.012 126 HIS 0.792 0.012 127 ALA 0.773 0.012 129 SER 0.802 0.012 130 GLY 0.800 0.012 131 ARG 0.826 0.012 132 VAL 0.755 0.011 133 TYR 0.789 0.012 134 HIS 0.838 0.013 135 VAL 0.829 0.013 136 LYS 0.812 0.012 137 PHE 0.791 0.013 138 ASN 0.701 0.028 141 LYS 0.799 0.012 142 VAL 0.786 0.012 143 GLU 0.776 0.012 144 GLY 0.789 0.012 145 LYS 0.812 0.012 146 ASP 0.815 0.012 147 ASP 0.827 0.012 148 VAL 0.798 0.012 149 THR 0.813 0.012 150 GLY 0.823 0.012 151 GLU 0.816 0.012 152 GLU 0.751 0.011 153 LEU 0.735 0.011 154 THR 0.795 0.012 155 THR 0.783 0.012 156 ARG 0.769 0.013 157 LYS 0.804 0.012 158 ASP 0.804 0.012 159 ASP 0.839 0.013 160 GLN 0.603 0.009 161 GLU 0.799 0.012 162 GLU 0.774 0.012 163 THR 0.798 0.012 164 VAL 0.839 0.013 165 ARG 0.845 0.018 166 LYS 0.843 0.013 167 ARG 0.830 0.013 168 LEU 0.799 0.012 169 VAL 0.839 0.013 170 GLU 0.829 0.013 171 TYR 0.859 0.013 172 HIS 0.866 0.013 173 GLN 0.840 0.013 174 MET 0.832 0.013 175 THR 0.848 0.013 176 ALA 0.861 0.020 178 LEU 0.851 0.013 179 ILE 0.853 0.013 180 GLY 0.849 0.013 181 TYR 0.830 0.013 182 TYR 0.862 0.013 183 SER 0.859 0.013 184 LYS 0.865 0.013 185 GLU 0.805 0.012 186 ALA 0.840 0.013 187 GLU 0.819 0.012 188 ALA 0.817 0.012 189 GLY 0.816 0.012 190 ASN 0.830 0.013 191 THR 0.780 0.012 192 LYS 0.772 0.012 193 TYR 0.765 0.012 194 ALA 0.842 0.013 195 LYS 0.797 0.012 196 VAL 0.789 0.012 197 ASP 0.821 0.012 198 GLY 0.824 0.012 199 THR 0.843 0.013 200 LYS 0.830 0.013 202 VAL 0.810 0.012 203 ALA 0.849 0.013 204 GLU 0.807 0.012 205 VAL 0.837 0.013 206 ARG 0.855 0.013 207 ALA 0.842 0.013 208 ASP 0.831 0.013 209 LEU 0.843 0.013 210 GLU 0.835 0.030 211 LYS 0.817 0.012 212 ILE 0.787 0.012 213 LEU 0.808 0.012 214 GLY 0.627 0.010 stop_ save_