data_19089 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N Chemical Shift Assignments for wild-type Escherichia coli Adenylate Kinase with 20mM ADP at 293, 298, 303, and 313K ; _BMRB_accession_number 19089 _BMRB_flat_file_name bmr19089.str _Entry_type original _Submission_date 2013-03-14 _Accession_date 2013-03-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignments for EAdk in the absence of the magnesium co-factor.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kerns 'S. Jordan' J . 2 Kern Dorothee . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 718 "15N chemical shifts" 718 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-12-18 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19090 'EADK_CPMG_CaADP (25C)' 19091 'EADK_CPMG_MgADP (25C)' 19092 'EADK_R156K_CPMG_ADP_2 (20C)' 19093 'EADK_R156K_CPMG_MgADP (20C)' stop_ _Original_release_date 2014-12-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Catalytic Strategies used by Kinases in Phosphoryl-Transfer Reactions' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kerns 'S. Jordan' J . 2 Agafonov Roman V. . 3 Cho Young-Jin . . 4 Pontiggia Francesco . . 5 Otten Renee . . 6 Pachov Dimitr V. . 7 Phung Lien A. . 8 Murphy Padraig N. . 9 Thai Vu . . 10 Hagan Michael F. . 11 Kern Dorothee . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'adenylate kinase with ADP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'adenylate kinase' $adenylate_kinase_wild_type ADP $entity_ADP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_adenylate_kinase_wild_type _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common adenylate_kinase_wild_type _Molecular_mass . _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 2015-11-04 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 1.83e-151 BMRB 18685 adenylate_kinase 100.00 214 100.00 100.00 1.83e-151 BMRB 18686 adenylate_kinase 100.00 214 99.53 99.53 1.26e-150 BMRB 18687 adenylate_kinase 100.00 214 100.00 100.00 1.83e-151 BMRB 19090 adenylate_kinase_wild_type 100.00 214 100.00 100.00 1.83e-151 BMRB 19091 adenylate_kinase_wild_type 100.00 214 100.00 100.00 1.83e-151 BMRB 19092 adenylate_kinase_R156K_mutant 100.00 214 99.53 100.00 4.80e-151 BMRB 19093 adenylate_kinase_R156K_mutant 100.00 214 99.53 100.00 4.80e-151 BMRB 25353 Kinase 100.00 214 99.53 99.53 1.80e-150 BMRB 25357 Adenylate_Kinase_Y171W 100.00 214 99.53 100.00 3.27e-151 BMRB 25360 Adenylate_Kinase_P177A 100.00 214 99.53 99.53 1.80e-150 BMRB 25361 Adenylate_Kinase_Y171W 100.00 214 99.53 100.00 3.27e-151 BMRB 25362 Adenylate_Kinase_Y171W 100.00 214 99.53 100.00 3.27e-151 BMRB 4152 "Adenylate kinase" 100.00 214 100.00 100.00 1.83e-151 BMRB 4193 "Adenylate kinase" 100.00 214 100.00 100.00 1.83e-151 BMRB 4350 "Adenylate kinase from E. coli" 100.00 214 100.00 100.00 1.83e-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 1.83e-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 1.83e-151 PDB 1E4V "Mutant G10v Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" 100.00 214 99.53 99.53 2.70e-150 PDB 1E4Y "Mutant P9l Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" 100.00 214 99.07 99.07 4.64e-149 PDB 2ECK "Structure Of Phosphotransferase" 100.00 214 100.00 100.00 1.83e-151 PDB 3HPQ "Crystal Structure Of Wild-Type Adenylate Kinase From E. Coli, In Complex With Ap5a" 100.00 214 100.00 100.00 1.83e-151 PDB 3HPR "Crystal Structure Of V148g Adenylate Kinase From E. Coli, In Complex With Ap5a" 100.00 214 99.53 99.53 2.56e-150 PDB 3X2S "Crystal Structure Of Pyrene-conjugated Adenylate Kinase" 100.00 214 98.60 98.60 7.76e-149 PDB 4AKE "Adenylate Kinase" 100.00 214 100.00 100.00 1.83e-151 PDB 4JZK "Crystal Structure Of Adenylate Kinase Of E. Coli With Adp/amp Bound" 100.00 214 100.00 100.00 1.83e-151 PDB 4X8H "Crystal Structure Of E. Coli Adenylate Kinase P177a Mutant" 100.00 214 99.53 99.53 1.80e-150 PDB 4X8L "Crystal Structure Of E. Coli Adenylate Kinase P177a Mutant In Complex With Inhibitor Ap5a" 100.00 214 99.53 99.53 1.80e-150 PDB 4X8M "Crystal Structure Of E. Coli Adenylate Kinase Y171w Mutant" 100.00 214 99.53 100.00 3.27e-151 PDB 4X8O "Crystal Structure Of E. Coli Adenylate Kinase Y171w Mutant In Complex With Inhibitor Ap5a" 100.00 214 99.53 100.00 3.27e-151 DBJ BAA14303 "adenylate kinase [Escherichia coli K-12]" 50.00 107 100.00 100.00 1.13e-68 DBJ BAB33950 "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" 100.00 214 100.00 100.00 1.83e-151 DBJ BAE76253 "adenylate kinase [Escherichia coli str. K12 substr. W3110]" 100.00 214 100.00 100.00 1.83e-151 DBJ BAG76023 "adenylate kinase [Escherichia coli SE11]" 100.00 214 100.00 100.00 1.83e-151 DBJ BAI23848 "adenylate kinase Adk [Escherichia coli O26:H11 str. 11368]" 100.00 214 100.00 100.00 1.83e-151 EMBL CAA26840 "unnamed protein product [Escherichia coli]" 100.00 214 100.00 100.00 1.83e-151 EMBL CAF33430 "adenylate kinase [Escherichia coli]" 71.96 154 100.00 100.00 3.88e-106 EMBL CAF33431 "adenylate kinase, partial [Escherichia coli]" 71.96 154 100.00 100.00 3.88e-106 EMBL CAF33432 "adenylate kinase, partial [Escherichia coli]" 71.96 154 100.00 100.00 3.88e-106 EMBL CAF33433 "adenylate kinase, partial [Escherichia coli]" 71.96 154 100.00 100.00 3.88e-106 GB AAA23461 "adk ORF [Escherichia coli]" 100.00 214 100.00 100.00 1.83e-151 GB AAB40228 "adenylate kinase [Escherichia coli]" 100.00 233 100.00 100.00 6.20e-152 GB AAC73576 "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" 100.00 214 100.00 100.00 1.83e-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 1.83e-151 GB AAM94352 "adenylate kinase [Escherichia coli]" 79.91 171 100.00 100.00 1.31e-119 REF NP_308554 "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" 100.00 214 100.00 100.00 1.83e-151 REF NP_415007 "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" 100.00 214 100.00 100.00 1.83e-151 REF NP_706367 "adenylate kinase [Shigella flexneri 2a str. 301]" 100.00 214 99.53 99.53 1.71e-150 REF WP_001220233 "MULTISPECIES: adenylate kinase [Proteobacteria]" 100.00 214 100.00 100.00 1.83e-151 REF WP_001220235 "adenylate kinase [Shigella flexneri]" 100.00 214 99.53 99.53 1.71e-150 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 1.83e-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 1.83e-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 1.83e-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 1.83e-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 1.83e-151 stop_ save_ ############# # Ligands # ############# save_ADP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ADP (ADENOSINE-5'-DIPHOSPHATE)" _BMRB_code ADP _PDB_code ADP _Molecular_mass 427.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 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 PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? 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 $adenylate_kinase_wild_type 'E. coli' 562 Bacteria . Escherichia coli 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 $adenylate_kinase_wild_type 'recombinant technology' . Escherichia coli . pEMBL9 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 $adenylate_kinase_wild_type 2 mM '[U-13C; U-15N]' $entity_ADP 20 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'adenylate 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 2 ARG H H 9.5522 0.0000 1 2 2 2 ARG N N 125.8325 0.0000 1 3 3 3 ILE H H 8.1361 0.0000 1 4 3 3 ILE N N 124.3357 0.0000 1 5 4 4 ILE H H 8.6206 0.0000 1 6 4 4 ILE N N 126.0649 0.0000 1 7 5 5 LEU H H 8.0656 0.0000 1 8 5 5 LEU N N 124.7865 0.0000 1 9 6 6 LEU H H 9.3613 0.0000 1 10 6 6 LEU N N 126.0348 0.0000 1 11 7 7 GLY H H 8.9922 0.0000 1 12 7 7 GLY N N 110.4030 0.0000 1 13 8 8 ALA H H 8.7288 0.0000 1 14 8 8 ALA N N 127.2032 0.0000 1 15 10 10 GLY H H 8.3000 0.0000 1 16 10 10 GLY N N 108.5600 0.0000 1 17 11 11 ALA H H 8.1900 0.0000 1 18 11 11 ALA N N 118.4000 0.0000 1 19 12 12 GLY H H 8.2112 0.0000 1 20 12 12 GLY N N 107.9839 0.0000 1 21 13 13 LYS H H 8.0900 0.0000 1 22 13 13 LYS N N 117.8500 0.0000 1 23 16 16 GLN H H 7.8029 0.0000 1 24 16 16 GLN N N 118.7283 0.0000 1 25 17 17 ALA H H 9.3712 0.0000 1 26 17 17 ALA N N 125.0760 0.0000 1 27 18 18 GLN H H 7.0447 0.0000 1 28 18 18 GLN N N 114.6355 0.0000 1 29 19 19 PHE H H 6.6327 0.0000 1 30 19 19 PHE N N 118.4334 0.0000 1 31 20 20 ILE H H 7.9400 0.0000 1 32 20 20 ILE N N 117.1800 0.0000 1 33 21 21 MET H H 8.4182 0.0000 1 34 21 21 MET N N 120.8622 0.0000 1 35 22 22 GLU H H 7.4147 0.0000 1 36 22 22 GLU N N 118.9824 0.0000 1 37 23 23 LYS H H 7.9751 0.0000 1 38 23 23 LYS N N 119.6864 0.0000 1 39 24 24 TYR H H 8.1569 0.0000 1 40 24 24 TYR N N 113.9592 0.0000 1 41 25 25 GLY H H 7.6448 0.0000 1 42 25 25 GLY N N 110.3412 0.0000 1 43 26 26 ILE H H 6.7775 0.0000 1 44 26 26 ILE N N 113.0986 0.0000 1 45 28 28 GLN H H 8.0300 0.0000 1 46 28 28 GLN N N 121.9591 0.0000 1 47 29 29 ILE H H 9.6216 0.0000 1 48 29 29 ILE N N 132.3998 0.0000 1 49 30 30 SER H H 8.2700 0.0000 1 50 30 30 SER N N 117.0300 0.0000 1 51 31 31 THR H H 9.3000 0.0000 1 52 31 31 THR N N 115.2200 0.0000 1 53 32 32 GLY H H 10.4886 0.0000 1 54 32 32 GLY N N 113.1341 0.0000 1 55 33 33 ASP H H 7.4400 0.0000 1 56 33 33 ASP N N 118.5300 0.0000 1 57 34 34 MET H H 8.1600 0.0000 1 58 34 34 MET N N 117.4800 0.0000 1 59 35 35 LEU H H 8.5972 0.0000 1 60 35 35 LEU N N 123.0838 0.0000 1 61 36 36 ARG H H 7.6800 0.0000 1 62 36 36 ARG N N 114.7700 0.0000 1 63 37 37 ALA H H 8.0601 0.0000 1 64 37 37 ALA N N 123.4740 0.0000 1 65 38 38 ALA H H 7.7503 0.0000 1 66 38 38 ALA N N 124.1662 0.0000 1 67 39 39 VAL H H 8.1743 0.0000 1 68 39 39 VAL N N 120.3439 0.0000 1 69 40 40 LYS H H 7.7915 0.0000 1 70 40 40 LYS N N 121.4545 0.0000 1 71 41 41 SER H H 7.9630 0.0000 1 72 41 41 SER N N 113.4171 0.0000 1 73 42 42 GLY H H 7.7226 0.0000 1 74 42 42 GLY N N 110.8632 0.0000 1 75 43 43 SER H H 7.5682 0.0000 1 76 43 43 SER N N 115.1761 0.0000 1 77 44 44 GLU H H 8.9166 0.0000 1 78 44 44 GLU N N 122.8070 0.0000 1 79 45 45 LEU H H 8.1630 0.0000 1 80 45 45 LEU N N 121.0023 0.0000 1 81 46 46 GLY H H 7.7108 0.0000 1 82 46 46 GLY N N 107.7943 0.0000 1 83 47 47 LYS H H 8.2345 0.0000 1 84 47 47 LYS N N 121.7161 0.0000 1 85 48 48 GLN H H 7.5933 0.0000 1 86 48 48 GLN N N 117.8741 0.0000 1 87 49 49 ALA H H 8.1011 0.0000 1 88 49 49 ALA N N 120.5568 0.0000 1 89 50 50 LYS H H 7.8739 0.0000 1 90 50 50 LYS N N 118.8927 0.0000 1 91 51 51 ASP H H 8.2104 0.0000 1 92 51 51 ASP N N 117.0557 0.0000 1 93 52 52 ILE H H 7.2010 0.0000 1 94 52 52 ILE N N 122.1812 0.0000 1 95 53 53 MET H H 8.1576 0.0000 1 96 53 53 MET N N 119.0532 0.0000 1 97 54 54 ASP H H 8.4156 0.0000 1 98 54 54 ASP N N 121.0050 0.0000 1 99 55 55 ALA H H 7.1300 0.0000 1 100 55 55 ALA N N 119.8462 0.0000 1 101 56 56 GLY H H 7.9295 0.0000 1 102 56 56 GLY N N 106.8671 0.0000 1 103 57 57 LYS H H 7.2592 0.0000 1 104 57 57 LYS N N 119.0354 0.0000 1 105 58 58 LEU H H 7.8900 0.0000 1 106 58 58 LEU N N 116.4000 0.0000 1 107 59 59 VAL H H 8.2900 0.0000 1 108 59 59 VAL N N 118.5900 0.0000 1 109 60 60 THR H H 7.3200 0.0000 1 110 60 60 THR N N 119.2900 0.0000 1 111 61 61 ASP H H 8.8224 0.0000 1 112 61 61 ASP N N 126.2919 0.0000 1 113 62 62 GLU H H 9.2559 0.0000 1 114 62 62 GLU N N 117.3093 0.0000 1 115 63 63 LEU H H 6.9313 0.0000 1 116 63 63 LEU N N 118.1513 0.0000 1 117 64 64 VAL H H 7.0510 0.0000 1 118 64 64 VAL N N 115.9923 0.0000 1 119 65 65 ILE H H 8.7501 0.0000 1 120 65 65 ILE N N 121.1350 0.0000 1 121 66 66 ALA H H 7.0968 0.0000 1 122 66 66 ALA N N 120.3814 0.0000 1 123 67 67 LEU H H 7.0864 0.0000 1 124 67 67 LEU N N 119.0562 0.0000 1 125 68 68 VAL H H 7.8720 0.0000 1 126 68 68 VAL N N 120.4626 0.0000 1 127 69 69 LYS H H 8.2750 0.0000 1 128 69 69 LYS N N 118.9244 0.0000 1 129 70 70 GLU H H 7.2865 0.0000 1 130 70 70 GLU N N 117.2487 0.0000 1 131 71 71 ARG H H 7.4243 0.0000 1 132 71 71 ARG N N 121.1326 0.0000 1 133 72 72 ILE H H 8.1528 0.0000 1 134 72 72 ILE N N 112.5743 0.0000 1 135 73 73 ALA H H 6.8058 0.0000 1 136 73 73 ALA N N 122.1861 0.0000 1 137 74 74 GLN H H 7.1361 0.0000 1 138 74 74 GLN N N 117.3276 0.0000 1 139 75 75 GLU H H 8.7945 0.0000 1 140 75 75 GLU N N 122.5840 0.0000 1 141 76 76 ASP H H 8.4162 0.0000 1 142 76 76 ASP N N 118.3153 0.0000 1 143 77 77 CYS H H 7.5996 0.0000 1 144 77 77 CYS N N 118.7919 0.0000 1 145 78 78 ARG H H 7.6594 0.0000 1 146 78 78 ARG N N 122.8548 0.0000 1 147 79 79 ASN H H 8.3694 0.0000 1 148 79 79 ASN N N 116.0056 0.0000 1 149 80 80 GLY H H 7.3239 0.0000 1 150 80 80 GLY N N 108.3754 0.0000 1 151 81 81 PHE H H 7.4925 0.0000 1 152 81 81 PHE N N 110.1330 0.0000 1 153 82 82 LEU H H 8.6711 0.0000 1 154 82 82 LEU N N 122.4254 0.0000 1 155 83 83 LEU H H 9.5775 0.0000 1 156 83 83 LEU N N 128.6494 0.0000 1 157 84 84 ASP H H 8.6068 0.0000 1 158 84 84 ASP N N 124.4579 0.0000 1 159 85 85 GLY H H 8.9600 0.0000 1 160 85 85 GLY N N 110.2100 0.0000 1 161 86 86 PHE H H 7.3140 0.0000 1 162 86 86 PHE N N 119.7408 0.0000 1 163 88 88 ARG H H 7.7718 0.0000 1 164 88 88 ARG N N 113.4077 0.0000 1 165 89 89 THR H H 6.9922 0.0000 1 166 89 89 THR N N 107.7725 0.0000 1 167 90 90 ILE H H 9.6790 0.0000 1 168 90 90 ILE N N 124.3357 0.0000 1 169 92 92 GLN H H 7.1059 0.0000 1 170 92 92 GLN N N 116.4401 0.0000 1 171 93 93 ALA H H 7.4016 0.0000 1 172 93 93 ALA N N 124.9440 0.0000 1 173 94 94 ASP H H 9.0041 0.0000 1 174 94 94 ASP N N 121.4727 0.0000 1 175 95 95 ALA H H 7.9105 0.0000 1 176 95 95 ALA N N 123.1261 0.0000 1 177 96 96 MET H H 7.5073 0.0000 1 178 96 96 MET N N 118.2895 0.0000 1 179 97 97 LYS H H 7.5948 0.0000 1 180 97 97 LYS N N 121.7132 0.0000 1 181 98 98 GLU H H 8.5952 0.0000 1 182 98 98 GLU N N 121.7907 0.0000 1 183 99 99 ALA H H 7.5600 0.0000 1 184 99 99 ALA N N 115.7500 0.0000 1 185 100 100 GLY H H 7.8287 0.0000 1 186 100 100 GLY N N 108.7452 0.0000 1 187 101 101 ILE H H 8.0614 0.0000 1 188 101 101 ILE N N 122.1211 0.0000 1 189 102 102 ASN H H 7.9614 0.0000 1 190 102 102 ASN N N 125.7349 0.0000 1 191 103 103 VAL H H 8.8258 0.0000 1 192 103 103 VAL N N 113.9876 0.0000 1 193 104 104 ASP H H 8.4994 0.0000 1 194 104 104 ASP N N 124.0130 0.0000 1 195 105 105 TYR H H 7.5162 0.0000 1 196 105 105 TYR N N 116.1344 0.0000 1 197 106 106 VAL H H 8.6716 0.0000 1 198 106 106 VAL N N 124.0053 0.0000 1 199 107 107 LEU H H 8.4551 0.0000 1 200 107 107 LEU N N 125.8897 0.0000 1 201 108 108 GLU H H 8.6952 0.0000 1 202 108 108 GLU N N 126.2289 0.0000 1 203 109 109 PHE H H 9.3496 0.0000 1 204 109 109 PHE N N 129.6348 0.0000 1 205 110 110 ASP H H 8.8536 0.0000 1 206 110 110 ASP N N 126.7606 0.0000 1 207 111 111 VAL H H 7.4961 0.0000 1 208 111 111 VAL N N 126.2388 0.0000 1 209 113 113 ASP H H 8.6254 0.0000 1 210 113 113 ASP N N 122.3559 0.0000 1 211 114 114 GLU H H 9.0634 0.0000 1 212 114 114 GLU N N 116.3680 0.0000 1 213 115 115 LEU H H 7.1669 0.0000 1 214 115 115 LEU N N 118.9654 0.0000 1 215 116 116 ILE H H 7.4100 0.0000 1 216 116 116 ILE N N 117.9100 0.0000 1 217 117 117 VAL H H 8.2900 0.0000 1 218 117 117 VAL N N 114.0600 0.0000 1 219 118 118 ASP H H 7.8056 0.0000 1 220 118 118 ASP N N 117.9532 0.0000 1 221 119 119 ARG H H 8.0800 0.0000 1 222 119 119 ARG N N 113.7300 0.0000 1 223 120 120 ILE H H 8.2278 0.0000 1 224 120 120 ILE N N 118.0339 0.0000 1 225 121 121 VAL H H 8.5036 0.0000 1 226 121 121 VAL N N 115.8423 0.0000 1 227 122 122 GLY H H 6.9579 0.0000 1 228 122 122 GLY N N 105.2725 0.0000 1 229 123 123 ARG H H 7.1864 0.0000 1 230 123 123 ARG N N 124.3208 0.0000 1 231 124 124 ARG H H 8.3681 0.0000 1 232 124 124 ARG N N 130.3403 0.0000 1 233 125 125 VAL H H 9.2063 0.0000 1 234 125 125 VAL N N 117.4903 0.0000 1 235 126 126 HIS H H 9.0809 0.0000 1 236 126 126 HIS N N 126.3893 0.0000 1 237 127 127 ALA H H 8.9537 0.0000 1 238 127 127 ALA N N 129.9224 0.0000 1 239 129 129 SER H H 6.7345 0.0000 1 240 129 129 SER N N 108.3562 0.0000 1 241 130 130 GLY H H 8.4316 0.0000 1 242 130 130 GLY N N 113.9054 0.0000 1 243 131 131 ARG H H 8.3889 0.0000 1 244 131 131 ARG N N 122.6847 0.0000 1 245 132 132 VAL H H 7.8748 0.0000 1 246 132 132 VAL N N 119.4547 0.0000 1 247 133 133 TYR H H 9.2178 0.0000 1 248 133 133 TYR N N 125.5030 0.0000 1 249 134 134 HIS H H 8.3882 0.0000 1 250 134 134 HIS N N 123.1810 0.0000 1 251 135 135 VAL H H 7.8399 0.0000 1 252 135 135 VAL N N 120.6511 0.0000 1 253 136 136 LYS H H 9.4472 0.0000 1 254 136 136 LYS N N 120.8558 0.0000 1 255 137 137 PHE H H 8.1400 0.0000 1 256 137 137 PHE N N 113.8800 0.0000 1 257 138 138 ASN H H 8.6100 0.0000 1 258 138 138 ASN N N 111.3000 0.0000 1 259 141 141 LYS H H 10.0809 0.0000 1 260 141 141 LYS N N 124.7681 0.0000 1 261 142 142 VAL H H 8.7420 0.0000 1 262 142 142 VAL N N 121.5210 0.0000 1 263 143 143 GLU H H 8.0997 0.0000 1 264 143 143 GLU N N 126.4386 0.0000 1 265 144 144 GLY H H 8.7402 0.0000 1 266 144 144 GLY N N 112.5739 0.0000 1 267 145 145 LYS H H 7.9181 0.0000 1 268 145 145 LYS N N 120.2887 0.0000 1 269 146 146 ASP H H 8.9757 0.0000 1 270 146 146 ASP N N 120.7369 0.0000 1 271 147 147 ASP H H 7.8698 0.0000 1 272 147 147 ASP N N 127.8066 0.0000 1 273 148 148 VAL H H 6.2580 0.0000 1 274 148 148 VAL N N 116.0925 0.0000 1 275 149 149 THR H H 7.4366 0.0000 1 276 149 149 THR N N 106.3809 0.0000 1 277 150 150 GLY H H 7.7625 0.0000 1 278 150 150 GLY N N 112.0228 0.0000 1 279 151 151 GLU H H 7.5751 0.0000 1 280 151 151 GLU N N 119.5832 0.0000 1 281 152 152 GLU H H 8.6487 0.0000 1 282 152 152 GLU N N 120.7182 0.0000 1 283 153 153 LEU H H 7.9116 0.0000 1 284 153 153 LEU N N 122.2933 0.0000 1 285 154 154 THR H H 9.3188 0.0000 1 286 154 154 THR N N 114.5035 0.0000 1 287 155 155 THR H H 8.2686 0.0000 1 288 155 155 THR N N 115.0755 0.0000 1 289 156 156 ARG H H 10.0034 0.0000 1 290 156 156 ARG N N 128.6838 0.0000 1 291 157 157 LYS H H 8.8500 0.0000 1 292 157 157 LYS N N 122.6500 0.0000 1 293 158 158 ASP H H 8.3600 0.0000 1 294 158 158 ASP N N 111.5600 0.0000 1 295 159 159 ASP H H 7.4200 0.0000 1 296 159 159 ASP N N 113.5300 0.0000 1 297 160 160 GLN H H 7.0200 0.0000 1 298 160 160 GLN N N 114.3900 0.0000 1 299 161 161 GLU H H 9.2753 0.0000 1 300 161 161 GLU N N 126.7119 0.0000 1 301 162 162 GLU H H 9.1095 0.0000 1 302 162 162 GLU N N 117.6034 0.0000 1 303 163 163 THR H H 7.2519 0.0000 1 304 163 163 THR N N 116.8806 0.0000 1 305 164 164 VAL H H 8.2200 0.0000 1 306 164 164 VAL N N 120.0500 0.0000 1 307 165 165 ARG H H 8.7500 0.0000 1 308 165 165 ARG N N 113.8400 0.0000 1 309 166 166 LYS H H 7.3659 0.0000 1 310 166 166 LYS N N 120.1718 0.0000 1 311 167 167 ARG H H 8.0200 0.0000 1 312 167 167 ARG N N 115.5900 0.0000 1 313 168 168 LEU H H 8.5859 0.0000 1 314 168 168 LEU N N 123.6532 0.0000 1 315 169 169 VAL H H 7.5363 0.0000 1 316 169 169 VAL N N 121.8777 0.0000 1 317 170 170 GLU H H 7.8080 0.0000 1 318 170 170 GLU N N 120.2015 0.0000 1 319 171 171 TYR H H 8.3692 0.0000 1 320 171 171 TYR N N 120.9150 0.0000 1 321 172 172 HIS H H 8.8400 0.0000 1 322 172 172 HIS N N 117.9500 0.0000 1 323 173 173 GLN H H 7.9291 0.0000 1 324 173 173 GLN N N 116.6656 0.0000 1 325 174 174 MET H H 8.5436 0.0000 1 326 174 174 MET N N 113.6844 0.0000 1 327 175 175 THR H H 7.9097 0.0000 1 328 175 175 THR N N 117.4183 0.0000 1 329 176 176 ALA H H 7.8681 0.0000 1 330 176 176 ALA N N 127.0167 0.0000 1 331 178 178 LEU H H 6.9100 0.0000 1 332 178 178 LEU N N 116.1500 0.0000 1 333 179 179 ILE H H 8.0627 0.0000 1 334 179 179 ILE N N 123.8923 0.0000 1 335 180 180 GLY H H 7.7071 0.0000 1 336 180 180 GLY N N 110.2667 0.0000 1 337 181 181 TYR H H 7.5734 0.0000 1 338 181 181 TYR N N 123.6974 0.0000 1 339 182 182 TYR H H 9.0210 0.0000 1 340 182 182 TYR N N 117.7381 0.0000 1 341 183 183 SER H H 8.2715 0.0000 1 342 183 183 SER N N 120.6174 0.0000 1 343 184 184 LYS H H 7.6248 0.0000 1 344 184 184 LYS N N 124.1607 0.0000 1 345 185 185 GLU H H 7.4138 0.0000 1 346 185 185 GLU N N 120.4042 0.0000 1 347 186 186 ALA H H 8.2444 0.0000 1 348 186 186 ALA N N 123.4876 0.0000 1 349 187 187 GLU H H 8.0257 0.0000 1 350 187 187 GLU N N 123.3567 0.0000 1 351 188 188 ALA H H 7.3940 0.0000 1 352 188 188 ALA N N 119.4453 0.0000 1 353 189 189 GLY H H 7.8246 0.0000 1 354 189 189 GLY N N 106.1307 0.0000 1 355 190 190 ASN H H 8.1347 0.0000 1 356 190 190 ASN N N 117.5919 0.0000 1 357 191 191 THR H H 7.4392 0.0000 1 358 191 191 THR N N 113.6241 0.0000 1 359 192 192 LYS H H 7.7557 0.0000 1 360 192 192 LYS N N 123.9861 0.0000 1 361 193 193 TYR H H 8.6496 0.0000 1 362 193 193 TYR N N 126.5336 0.0000 1 363 194 194 ALA H H 8.5064 0.0000 1 364 194 194 ALA N N 132.1527 0.0000 1 365 195 195 LYS H H 8.4169 0.0000 1 366 195 195 LYS N N 123.1382 0.0000 1 367 196 196 VAL H H 9.2113 0.0000 1 368 196 196 VAL N N 125.8660 0.0000 1 369 197 197 ASP H H 8.6717 0.0000 1 370 197 197 ASP N N 124.3474 0.0000 1 371 198 198 GLY H H 8.2958 0.0000 1 372 198 198 GLY N N 112.6104 0.0000 1 373 199 199 THR H H 8.7056 0.0000 1 374 199 199 THR N N 112.6702 0.0000 1 375 200 200 LYS H H 6.2975 0.0000 1 376 200 200 LYS N N 123.2270 0.0000 1 377 202 202 VAL H H 8.1643 0.0000 1 378 202 202 VAL N N 123.6838 0.0000 1 379 203 203 ALA H H 8.8261 0.0000 1 380 203 203 ALA N N 118.9106 0.0000 1 381 204 204 GLU H H 7.3900 0.0000 1 382 204 204 GLU N N 114.8000 0.0000 1 383 205 205 VAL H H 7.9046 0.0000 1 384 205 205 VAL N N 122.6525 0.0000 1 385 206 206 ARG H H 7.7192 0.0000 1 386 206 206 ARG N N 119.4745 0.0000 1 387 207 207 ALA H H 7.1846 0.0000 1 388 207 207 ALA N N 121.2173 0.0000 1 389 208 208 ASP H H 8.0416 0.0000 1 390 208 208 ASP N N 122.3061 0.0000 1 391 209 209 LEU H H 8.3010 0.0000 1 392 209 209 LEU N N 121.9793 0.0000 1 393 210 210 GLU H H 8.2005 0.0000 1 394 210 210 GLU N N 120.3153 0.0000 1 395 211 211 LYS H H 7.6500 0.0000 1 396 211 211 LYS N N 115.8400 0.0000 1 397 212 212 ILE H H 7.1971 0.0000 1 398 212 212 ILE N N 120.0814 0.0000 1 399 213 213 LEU H H 7.8979 0.0000 1 400 213 213 LEU N N 118.2994 0.0000 1 401 214 214 GLY H H 7.6648 0.0000 1 402 214 214 GLY N N 112.9635 0.0000 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'adenylate 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 2 ARG H H 9.5354 0.0000 1 2 2 2 ARG N N 125.6367 0.0000 1 3 3 3 ILE H H 8.1535 0.0000 1 4 3 3 ILE N N 124.3692 0.0000 1 5 4 4 ILE H H 8.6235 0.0000 1 6 4 4 ILE N N 126.0492 0.0000 1 7 5 5 LEU H H 8.0632 0.0000 1 8 5 5 LEU N N 124.7928 0.0000 1 9 6 6 LEU H H 9.3563 0.0000 1 10 6 6 LEU N N 126.0697 0.0000 1 11 7 7 GLY H H 8.9691 0.0000 1 12 7 7 GLY N N 110.3442 0.0000 1 13 8 8 ALA H H 8.7398 0.0000 1 14 8 8 ALA N N 127.1527 0.0000 1 15 12 12 GLY H H 8.2091 0.0000 1 16 12 12 GLY N N 107.8250 0.0000 1 17 16 16 GLN H H 7.8093 0.0000 1 18 16 16 GLN N N 118.7580 0.0000 1 19 17 17 ALA H H 9.3776 0.0000 1 20 17 17 ALA N N 125.0265 0.0000 1 21 18 18 GLN H H 7.0517 0.0000 1 22 18 18 GLN N N 114.7053 0.0000 1 23 19 19 PHE H H 6.6498 0.0000 1 24 19 19 PHE N N 118.5794 0.0000 1 25 21 21 MET H H 8.4041 0.0000 1 26 21 21 MET N N 120.8261 0.0000 1 27 22 22 GLU H H 7.4225 0.0000 1 28 22 22 GLU N N 118.9356 0.0000 1 29 23 23 LYS H H 8.0055 0.0000 1 30 23 23 LYS N N 119.6345 0.0000 1 31 24 24 TYR H H 8.1722 0.0000 1 32 24 24 TYR N N 113.9860 0.0000 1 33 25 25 GLY H H 7.6377 0.0000 1 34 25 25 GLY N N 110.1814 0.0000 1 35 26 26 ILE H H 6.7699 0.0000 1 36 26 26 ILE N N 113.2323 0.0000 1 37 28 28 GLN H H 8.0021 0.0000 1 38 28 28 GLN N N 122.0349 0.0000 1 39 29 29 ILE H H 9.6182 0.0000 1 40 29 29 ILE N N 132.4037 0.0000 1 41 30 30 SER H H 8.5862 0.0000 1 42 30 30 SER N N 121.1310 0.0000 1 43 32 32 GLY H H 10.4943 0.0000 1 44 32 32 GLY N N 113.1885 0.0000 1 45 35 35 LEU H H 8.5773 0.0000 1 46 35 35 LEU N N 122.9615 0.0000 1 47 37 37 ALA H H 8.0803 0.0000 1 48 37 37 ALA N N 123.5243 0.0000 1 49 38 38 ALA H H 7.7563 0.0000 1 50 38 38 ALA N N 124.1684 0.0000 1 51 39 39 VAL H H 8.1630 0.0000 1 52 39 39 VAL N N 120.2875 0.0000 1 53 40 40 LYS H H 7.7926 0.0000 1 54 40 40 LYS N N 121.4156 0.0000 1 55 41 41 SER H H 7.9652 0.0000 1 56 41 41 SER N N 113.4126 0.0000 1 57 42 42 GLY H H 7.7301 0.0000 1 58 42 42 GLY N N 110.7821 0.0000 1 59 43 43 SER H H 7.5772 0.0000 1 60 43 43 SER N N 115.1286 0.0000 1 61 44 44 GLU H H 8.9019 0.0000 1 62 44 44 GLU N N 122.7369 0.0000 1 63 45 45 LEU H H 8.1346 0.0000 1 64 45 45 LEU N N 120.9276 0.0000 1 65 46 46 GLY H H 7.7093 0.0000 1 66 46 46 GLY N N 107.7469 0.0000 1 67 47 47 LYS H H 8.2318 0.0000 1 68 47 47 LYS N N 121.7198 0.0000 1 69 48 48 GLN H H 7.5972 0.0000 1 70 48 48 GLN N N 117.8208 0.0000 1 71 49 49 ALA H H 8.0956 0.0000 1 72 49 49 ALA N N 120.4716 0.0000 1 73 50 50 LYS H H 7.8755 0.0000 1 74 50 50 LYS N N 118.9148 0.0000 1 75 51 51 ASP H H 8.1950 0.0000 1 76 51 51 ASP N N 117.0714 0.0000 1 77 52 52 ILE H H 7.2021 0.0000 1 78 52 52 ILE N N 122.0655 0.0000 1 79 53 53 MET H H 8.1662 0.0000 1 80 53 53 MET N N 119.0127 0.0000 1 81 54 54 ASP H H 8.3957 0.0000 1 82 54 54 ASP N N 121.0023 0.0000 1 83 55 55 ALA H H 7.1324 0.0000 1 84 55 55 ALA N N 119.7767 0.0000 1 85 56 56 GLY H H 7.9327 0.0000 1 86 56 56 GLY N N 106.7810 0.0000 1 87 57 57 LYS H H 7.2744 0.0000 1 88 57 57 LYS N N 119.0599 0.0000 1 89 60 60 THR H H 7.3215 0.0000 1 90 60 60 THR N N 119.2992 0.0000 1 91 61 61 ASP H H 8.7862 0.0000 1 92 61 61 ASP N N 126.2809 0.0000 1 93 62 62 GLU H H 9.2541 0.0000 1 94 62 62 GLU N N 117.3068 0.0000 1 95 63 63 LEU H H 6.9359 0.0000 1 96 63 63 LEU N N 118.1472 0.0000 1 97 64 64 VAL H H 7.0486 0.0000 1 98 64 64 VAL N N 115.8728 0.0000 1 99 65 65 ILE H H 8.7525 0.0000 1 100 65 65 ILE N N 121.1500 0.0000 1 101 66 66 ALA H H 7.0992 0.0000 1 102 66 66 ALA N N 120.3726 0.0000 1 103 67 67 LEU H H 7.0953 0.0000 1 104 67 67 LEU N N 118.9568 0.0000 1 105 68 68 VAL H H 7.8568 0.0000 1 106 68 68 VAL N N 120.3802 0.0000 1 107 69 69 LYS H H 8.2778 0.0000 1 108 69 69 LYS N N 118.9238 0.0000 1 109 70 70 GLU H H 7.2923 0.0000 1 110 70 70 GLU N N 117.2364 0.0000 1 111 71 71 ARG H H 7.4301 0.0000 1 112 71 71 ARG N N 121.0845 0.0000 1 113 72 72 ILE H H 8.1557 0.0000 1 114 72 72 ILE N N 112.7247 0.0000 1 115 73 73 ALA H H 6.8113 0.0000 1 116 73 73 ALA N N 122.1210 0.0000 1 117 74 74 GLN H H 7.1442 0.0000 1 118 74 74 GLN N N 117.2951 0.0000 1 119 75 75 GLU H H 8.7668 0.0000 1 120 75 75 GLU N N 122.5489 0.0000 1 121 76 76 ASP H H 8.4199 0.0000 1 122 76 76 ASP N N 118.2835 0.0000 1 123 77 77 CYS H H 7.6072 0.0000 1 124 77 77 CYS N N 118.7334 0.0000 1 125 78 78 ARG H H 7.6588 0.0000 1 126 78 78 ARG N N 122.7383 0.0000 1 127 79 79 ASN H H 8.3610 0.0000 1 128 79 79 ASN N N 116.0089 0.0000 1 129 80 80 GLY H H 7.3268 0.0000 1 130 80 80 GLY N N 108.3247 0.0000 1 131 81 81 PHE H H 7.5159 0.0000 1 132 81 81 PHE N N 110.1655 0.0000 1 133 82 82 LEU H H 8.6804 0.0000 1 134 82 82 LEU N N 122.4688 0.0000 1 135 83 83 LEU H H 9.5864 0.0000 1 136 83 83 LEU N N 128.6297 0.0000 1 137 84 84 ASP H H 8.6133 0.0000 1 138 84 84 ASP N N 124.4157 0.0000 1 139 86 86 PHE H H 7.3243 0.0000 1 140 86 86 PHE N N 119.7457 0.0000 1 141 88 88 ARG H H 7.7604 0.0000 1 142 88 88 ARG N N 113.3859 0.0000 1 143 89 89 THR H H 7.0119 0.0000 1 144 89 89 THR N N 107.8319 0.0000 1 145 90 90 ILE H H 9.6877 0.0000 1 146 90 90 ILE N N 124.3470 0.0000 1 147 92 92 GLN H H 7.1086 0.0000 1 148 92 92 GLN N N 116.3471 0.0000 1 149 93 93 ALA H H 7.4125 0.0000 1 150 93 93 ALA N N 124.9056 0.0000 1 151 94 94 ASP H H 9.0044 0.0000 1 152 94 94 ASP N N 121.4800 0.0000 1 153 95 95 ALA H H 7.9142 0.0000 1 154 95 95 ALA N N 123.0903 0.0000 1 155 96 96 MET H H 7.5087 0.0000 1 156 96 96 MET N N 118.1945 0.0000 1 157 97 97 LYS H H 7.6001 0.0000 1 158 97 97 LYS N N 121.6800 0.0000 1 159 98 98 GLU H H 8.5827 0.0000 1 160 98 98 GLU N N 121.7405 0.0000 1 161 100 100 GLY H H 7.8314 0.0000 1 162 100 100 GLY N N 108.6522 0.0000 1 163 101 101 ILE H H 8.0386 0.0000 1 164 101 101 ILE N N 121.9992 0.0000 1 165 102 102 ASN H H 7.9555 0.0000 1 166 102 102 ASN N N 125.7923 0.0000 1 167 103 103 VAL H H 8.7854 0.0000 1 168 103 103 VAL N N 114.0130 0.0000 1 169 104 104 ASP H H 8.5120 0.0000 1 170 104 104 ASP N N 124.0317 0.0000 1 171 105 105 TYR H H 7.5327 0.0000 1 172 105 105 TYR N N 116.1755 0.0000 1 173 106 106 VAL H H 8.6776 0.0000 1 174 106 106 VAL N N 124.0145 0.0000 1 175 107 107 LEU H H 8.4642 0.0000 1 176 107 107 LEU N N 125.9424 0.0000 1 177 108 108 GLU H H 8.6818 0.0000 1 178 108 108 GLU N N 126.2300 0.0000 1 179 109 109 PHE H H 9.3384 0.0000 1 180 109 109 PHE N N 129.6486 0.0000 1 181 110 110 ASP H H 8.8428 0.0000 1 182 110 110 ASP N N 126.6924 0.0000 1 183 111 111 VAL H H 7.4870 0.0000 1 184 111 111 VAL N N 126.1087 0.0000 1 185 113 113 ASP H H 8.6331 0.0000 1 186 113 113 ASP N N 122.3685 0.0000 1 187 114 114 GLU H H 9.0660 0.0000 1 188 114 114 GLU N N 116.3935 0.0000 1 189 115 115 LEU H H 7.1896 0.0000 1 190 115 115 LEU N N 118.9199 0.0000 1 191 118 118 ASP H H 7.8097 0.0000 1 192 118 118 ASP N N 117.9632 0.0000 1 193 120 120 ILE H H 8.2286 0.0000 1 194 120 120 ILE N N 118.0172 0.0000 1 195 121 121 VAL H H 8.5044 0.0000 1 196 121 121 VAL N N 115.7428 0.0000 1 197 122 122 GLY H H 6.9657 0.0000 1 198 122 122 GLY N N 105.3403 0.0000 1 199 124 124 ARG H H 8.3747 0.0000 1 200 124 124 ARG N N 130.3754 0.0000 1 201 125 125 VAL H H 9.1933 0.0000 1 202 125 125 VAL N N 117.5676 0.0000 1 203 126 126 HIS H H 9.1107 0.0000 1 204 126 126 HIS N N 126.5343 0.0000 1 205 127 127 ALA H H 8.9224 0.0000 1 206 127 127 ALA N N 130.0312 0.0000 1 207 129 129 SER H H 6.7382 0.0000 1 208 129 129 SER N N 108.3718 0.0000 1 209 130 130 GLY H H 8.4363 0.0000 1 210 130 130 GLY N N 113.8253 0.0000 1 211 131 131 ARG H H 8.3915 0.0000 1 212 131 131 ARG N N 122.6015 0.0000 1 213 132 132 VAL H H 7.8653 0.0000 1 214 132 132 VAL N N 119.4268 0.0000 1 215 133 133 TYR H H 9.2213 0.0000 1 216 133 133 TYR N N 125.6053 0.0000 1 217 134 134 HIS H H 8.3875 0.0000 1 218 134 134 HIS N N 123.0847 0.0000 1 219 135 135 VAL H H 7.8274 0.0000 1 220 135 135 VAL N N 120.6608 0.0000 1 221 136 136 LYS H H 9.4625 0.0000 1 222 136 136 LYS N N 120.8032 0.0000 1 223 141 141 LYS H H 10.0793 0.0000 1 224 141 141 LYS N N 124.7233 0.0000 1 225 142 142 VAL H H 8.7414 0.0000 1 226 142 142 VAL N N 121.4605 0.0000 1 227 143 143 GLU H H 8.0830 0.0000 1 228 143 143 GLU N N 126.3797 0.0000 1 229 144 144 GLY H H 8.7010 0.0000 1 230 144 144 GLY N N 112.4008 0.0000 1 231 145 145 LYS H H 7.9188 0.0000 1 232 145 145 LYS N N 120.2987 0.0000 1 233 146 146 ASP H H 8.9736 0.0000 1 234 146 146 ASP N N 120.7050 0.0000 1 235 147 147 ASP H H 7.8705 0.0000 1 236 147 147 ASP N N 127.8197 0.0000 1 237 148 148 VAL H H 6.2789 0.0000 1 238 148 148 VAL N N 116.0593 0.0000 1 239 149 149 THR H H 7.4440 0.0000 1 240 149 149 THR N N 106.3692 0.0000 1 241 150 150 GLY H H 7.7748 0.0000 1 242 150 150 GLY N N 111.9525 0.0000 1 243 151 151 GLU H H 7.5846 0.0000 1 244 151 151 GLU N N 119.5612 0.0000 1 245 152 152 GLU H H 8.6328 0.0000 1 246 152 152 GLU N N 120.6772 0.0000 1 247 153 153 LEU H H 7.9276 0.0000 1 248 153 153 LEU N N 122.2450 0.0000 1 249 154 154 THR H H 9.3181 0.0000 1 250 154 154 THR N N 114.5768 0.0000 1 251 155 155 THR H H 8.2428 0.0000 1 252 155 155 THR N N 115.0571 0.0000 1 253 156 156 ARG H H 9.9975 0.0000 1 254 156 156 ARG N N 128.5116 0.0000 1 255 161 161 GLU H H 9.2824 0.0000 1 256 161 161 GLU N N 126.7297 0.0000 1 257 162 162 GLU H H 9.0991 0.0000 1 258 162 162 GLU N N 117.5820 0.0000 1 259 163 163 THR H H 7.2617 0.0000 1 260 163 163 THR N N 116.8080 0.0000 1 261 166 166 LYS H H 7.3684 0.0000 1 262 166 166 LYS N N 120.0457 0.0000 1 263 168 168 LEU H H 8.5898 0.0000 1 264 168 168 LEU N N 123.6101 0.0000 1 265 170 170 GLU H H 7.8082 0.0000 1 266 170 170 GLU N N 120.1325 0.0000 1 267 171 171 TYR H H 8.3674 0.0000 1 268 171 171 TYR N N 120.8425 0.0000 1 269 173 173 GLN H H 7.9447 0.0000 1 270 173 173 GLN N N 116.5882 0.0000 1 271 174 174 MET H H 8.5503 0.0000 1 272 174 174 MET N N 113.6446 0.0000 1 273 175 175 THR H H 7.9094 0.0000 1 274 175 175 THR N N 117.4374 0.0000 1 275 176 176 ALA H H 7.8799 0.0000 1 276 176 176 ALA N N 126.9353 0.0000 1 277 179 179 ILE H H 8.0722 0.0000 1 278 179 179 ILE N N 123.8343 0.0000 1 279 180 180 GLY H H 7.6799 0.0000 1 280 180 180 GLY N N 110.1380 0.0000 1 281 181 181 TYR H H 7.5855 0.0000 1 282 181 181 TYR N N 123.7535 0.0000 1 283 182 182 TYR H H 9.0179 0.0000 1 284 182 182 TYR N N 117.6652 0.0000 1 285 183 183 SER H H 8.2834 0.0000 1 286 183 183 SER N N 120.5565 0.0000 1 287 184 184 LYS H H 7.6254 0.0000 1 288 184 184 LYS N N 124.0827 0.0000 1 289 185 185 GLU H H 7.4164 0.0000 1 290 185 185 GLU N N 120.3964 0.0000 1 291 186 186 ALA H H 8.2471 0.0000 1 292 186 186 ALA N N 123.4827 0.0000 1 293 187 187 GLU H H 8.0337 0.0000 1 294 187 187 GLU N N 123.3040 0.0000 1 295 188 188 ALA H H 7.4041 0.0000 1 296 188 188 ALA N N 119.4488 0.0000 1 297 189 189 GLY H H 7.8264 0.0000 1 298 189 189 GLY N N 106.0780 0.0000 1 299 190 190 ASN H H 8.1385 0.0000 1 300 190 190 ASN N N 117.6214 0.0000 1 301 191 191 THR H H 7.4438 0.0000 1 302 191 191 THR N N 113.6066 0.0000 1 303 192 192 LYS H H 7.7576 0.0000 1 304 192 192 LYS N N 123.9984 0.0000 1 305 193 193 TYR H H 8.6303 0.0000 1 306 193 193 TYR N N 126.5569 0.0000 1 307 194 194 ALA H H 8.5184 0.0000 1 308 194 194 ALA N N 132.1327 0.0000 1 309 195 195 LYS H H 8.4096 0.0000 1 310 195 195 LYS N N 123.3463 0.0000 1 311 196 196 VAL H H 9.2080 0.0000 1 312 196 196 VAL N N 125.8629 0.0000 1 313 197 197 ASP H H 8.6727 0.0000 1 314 197 197 ASP N N 124.5016 0.0000 1 315 198 198 GLY H H 8.3032 0.0000 1 316 198 198 GLY N N 112.6358 0.0000 1 317 199 199 THR H H 8.7151 0.0000 1 318 199 199 THR N N 112.6727 0.0000 1 319 200 200 LYS H H 6.3133 0.0000 1 320 200 200 LYS N N 123.2133 0.0000 1 321 202 202 VAL H H 8.1298 0.0000 1 322 202 202 VAL N N 123.5406 0.0000 1 323 203 203 ALA H H 8.7985 0.0000 1 324 203 203 ALA N N 118.8892 0.0000 1 325 205 205 VAL H H 7.9092 0.0000 1 326 205 205 VAL N N 122.6495 0.0000 1 327 206 206 ARG H H 7.7095 0.0000 1 328 206 206 ARG N N 119.4362 0.0000 1 329 207 207 ALA H H 7.1739 0.0000 1 330 207 207 ALA N N 121.1150 0.0000 1 331 208 208 ASP H H 8.0402 0.0000 1 332 208 208 ASP N N 122.2339 0.0000 1 333 209 209 LEU H H 8.3022 0.0000 1 334 209 209 LEU N N 121.9066 0.0000 1 335 210 210 GLU H H 8.2149 0.0000 1 336 210 210 GLU N N 120.2591 0.0000 1 337 212 212 ILE H H 7.2186 0.0000 1 338 212 212 ILE N N 120.0092 0.0000 1 339 213 213 LEU H H 7.9064 0.0000 1 340 213 213 LEU N N 118.3010 0.0000 1 341 214 214 GLY H H 7.6679 0.0000 1 342 214 214 GLY N N 112.9603 0.0000 1 stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'adenylate 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 2 ARG H H 9.4901 0.0000 1 2 2 2 ARG N N 125.5496 0.0000 1 3 3 3 ILE H H 8.1615 0.0000 1 4 3 3 ILE N N 124.4041 0.0000 1 5 4 4 ILE H H 8.6061 0.0000 1 6 4 4 ILE N N 126.0728 0.0000 1 7 5 5 LEU H H 8.0606 0.0000 1 8 5 5 LEU N N 124.8790 0.0000 1 9 6 6 LEU H H 9.3403 0.0000 1 10 6 6 LEU N N 126.1464 0.0000 1 11 7 7 GLY H H 8.9003 0.0000 1 12 7 7 GLY N N 110.3163 0.0000 1 13 8 8 ALA H H 8.7288 0.0000 1 14 8 8 ALA N N 127.2032 0.0000 1 15 12 12 GLY H H 8.2112 0.0000 1 16 12 12 GLY N N 107.7649 0.0000 1 17 16 16 GLN H H 7.7779 0.0000 1 18 16 16 GLN N N 118.7510 0.0000 1 19 17 17 ALA H H 9.3450 0.0000 1 20 17 17 ALA N N 125.0212 0.0000 1 21 18 18 GLN H H 7.0675 0.0000 1 22 18 18 GLN N N 114.6765 0.0000 1 23 19 19 PHE H H 6.6546 0.0000 1 24 19 19 PHE N N 118.5976 0.0000 1 25 21 21 MET H H 8.4008 0.0000 1 26 21 21 MET N N 120.7390 0.0000 1 27 22 22 GLU H H 7.4025 0.0000 1 28 22 22 GLU N N 118.8729 0.0000 1 29 23 23 LYS H H 7.9821 0.0000 1 30 23 23 LYS N N 119.6180 0.0000 1 31 24 24 TYR H H 8.1385 0.0000 1 32 24 24 TYR N N 113.9546 0.0000 1 33 25 25 GLY H H 7.6431 0.0000 1 34 25 25 GLY N N 110.0908 0.0000 1 35 26 26 ILE H H 6.7583 0.0000 1 36 26 26 ILE N N 113.2035 0.0000 1 37 28 28 GLN H H 7.9714 0.0000 1 38 28 28 GLN N N 121.9408 0.0000 1 39 29 29 ILE H H 9.5822 0.0000 1 40 29 29 ILE N N 132.2538 0.0000 1 41 30 30 SER H H 8.5555 0.0000 1 42 30 30 SER N N 121.0300 0.0000 1 43 32 32 GLY H H 10.4632 0.0000 1 44 32 32 GLY N N 113.0944 0.0000 1 45 35 35 LEU H H 8.5473 0.0000 1 46 35 35 LEU N N 122.8830 0.0000 1 47 37 37 ALA H H 8.0470 0.0000 1 48 37 37 ALA N N 123.3918 0.0000 1 49 38 38 ALA H H 7.7476 0.0000 1 50 38 38 ALA N N 124.1753 0.0000 1 51 39 39 VAL H H 8.1463 0.0000 1 52 39 39 VAL N N 120.2526 0.0000 1 53 40 40 LYS H H 7.7862 0.0000 1 54 40 40 LYS N N 121.3268 0.0000 1 55 41 41 SER H H 7.9420 0.0000 1 56 41 41 SER N N 113.4126 0.0000 1 57 42 42 GLY H H 7.7208 0.0000 1 58 42 42 GLY N N 110.7264 0.0000 1 59 43 43 SER H H 7.5656 0.0000 1 60 43 43 SER N N 115.1076 0.0000 1 61 44 44 GLU H H 8.8703 0.0000 1 62 44 44 GLU N N 122.6428 0.0000 1 63 45 45 LEU H H 8.0877 0.0000 1 64 45 45 LEU N N 120.8335 0.0000 1 65 46 46 GLY H H 7.6951 0.0000 1 66 46 46 GLY N N 107.6711 0.0000 1 67 47 47 LYS H H 8.2038 0.0000 1 68 47 47 LYS N N 121.7024 0.0000 1 69 48 48 GLN H H 7.5819 0.0000 1 70 48 48 GLN N N 117.7920 0.0000 1 71 49 49 ALA H H 8.0714 0.0000 1 72 49 49 ALA N N 120.3880 0.0000 1 73 50 50 LYS H H 7.8634 0.0000 1 74 50 50 LYS N N 118.9383 0.0000 1 75 51 51 ASP H H 8.1518 0.0000 1 76 51 51 ASP N N 117.0557 0.0000 1 77 52 52 ILE H H 7.1879 0.0000 1 78 52 52 ILE N N 121.9348 0.0000 1 79 53 53 MET H H 8.1540 0.0000 1 80 53 53 MET N N 119.0441 0.0000 1 81 54 54 ASP H H 8.3797 0.0000 1 82 54 54 ASP N N 120.9640 0.0000 1 83 55 55 ALA H H 7.1230 0.0000 1 84 55 55 ALA N N 119.7732 0.0000 1 85 56 56 GLY H H 7.9163 0.0000 1 86 56 56 GLY N N 106.7758 0.0000 1 87 57 57 LYS H H 7.2757 0.0000 1 88 57 57 LYS N N 119.1192 0.0000 1 89 60 60 THR H H 7.3173 0.0000 1 90 60 60 THR N N 119.2626 0.0000 1 91 61 61 ASP H H 8.7261 0.0000 1 92 61 61 ASP N N 126.2234 0.0000 1 93 62 62 GLU H H 9.2235 0.0000 1 94 62 62 GLU N N 117.2728 0.0000 1 95 63 63 LEU H H 6.9296 0.0000 1 96 63 63 LEU N N 118.2334 0.0000 1 97 64 64 VAL H H 7.0317 0.0000 1 98 64 64 VAL N N 115.7186 0.0000 1 99 65 65 ILE H H 8.7238 0.0000 1 100 65 65 ILE N N 121.0803 0.0000 1 101 66 66 ALA H H 7.0898 0.0000 1 102 66 66 ALA N N 120.4179 0.0000 1 103 67 67 LEU H H 7.0969 0.0000 1 104 67 67 LEU N N 118.8052 0.0000 1 105 68 68 VAL H H 7.8922 0.0000 1 106 68 68 VAL N N 120.3941 0.0000 1 107 69 69 LYS H H 8.2583 0.0000 1 108 69 69 LYS N N 118.9107 0.0000 1 109 70 70 GLU H H 7.2734 0.0000 1 110 70 70 GLU N N 117.2077 0.0000 1 111 71 71 ARG H H 7.4270 0.0000 1 112 71 71 ARG N N 121.0322 0.0000 1 113 72 72 ILE H H 8.1362 0.0000 1 114 72 72 ILE N N 112.7979 0.0000 1 115 73 73 ALA H H 6.7970 0.0000 1 116 73 73 ALA N N 122.0766 0.0000 1 117 74 74 GLN H H 7.1353 0.0000 1 118 74 74 GLN N N 117.2637 0.0000 1 119 75 75 GLU H H 8.7431 0.0000 1 120 75 75 GLU N N 122.4757 0.0000 1 121 76 76 ASP H H 8.4004 0.0000 1 122 76 76 ASP N N 118.2286 0.0000 1 123 77 77 CYS H H 7.5988 0.0000 1 124 77 77 CYS N N 118.6550 0.0000 1 125 78 78 ARG H H 7.6419 0.0000 1 126 78 78 ARG N N 122.6494 0.0000 1 127 79 79 ASN H H 8.3458 0.0000 1 128 79 79 ASN N N 115.9828 0.0000 1 129 80 80 GLY H H 7.3178 0.0000 1 130 80 80 GLY N N 108.2750 0.0000 1 131 81 81 PHE H H 7.5302 0.0000 1 132 81 81 PHE N N 110.1786 0.0000 1 133 82 82 LEU H H 8.6624 0.0000 1 134 82 82 LEU N N 122.4026 0.0000 1 135 83 83 LEU H H 9.5495 0.0000 1 136 83 83 LEU N N 128.5171 0.0000 1 137 84 84 ASP H H 8.5866 0.0000 1 138 84 84 ASP N N 124.3530 0.0000 1 139 86 86 PHE H H 7.3096 0.0000 1 140 86 86 PHE N N 119.6550 0.0000 1 141 88 88 ARG H H 7.7709 0.0000 1 142 88 88 ARG N N 113.4826 0.0000 1 143 89 89 THR H H 6.9992 0.0000 1 144 89 89 THR N N 107.8136 0.0000 1 145 90 90 ILE H H 9.6519 0.0000 1 146 90 90 ILE N N 124.2764 0.0000 1 147 92 92 GLN H H 7.0954 0.0000 1 148 92 92 GLN N N 116.2713 0.0000 1 149 93 93 ALA H H 7.4078 0.0000 1 150 93 93 ALA N N 124.8664 0.0000 1 151 94 94 ASP H H 8.9718 0.0000 1 152 94 94 ASP N N 121.4408 0.0000 1 153 95 95 ALA H H 7.9035 0.0000 1 154 95 95 ALA N N 123.0485 0.0000 1 155 96 96 MET H H 7.5055 0.0000 1 156 96 96 MET N N 118.1526 0.0000 1 157 97 97 LYS H H 7.5790 0.0000 1 158 97 97 LYS N N 121.6356 0.0000 1 159 98 98 GLU H H 8.5505 0.0000 1 160 98 98 GLU N N 121.7222 0.0000 1 161 100 100 GLY H H 7.8182 0.0000 1 162 100 100 GLY N N 108.5581 0.0000 1 163 101 101 ILE H H 8.0019 0.0000 1 164 101 101 ILE N N 121.9295 0.0000 1 165 102 102 ASN H H 7.9281 0.0000 1 166 102 102 ASN N N 125.7714 0.0000 1 167 103 103 VAL H H 8.7242 0.0000 1 168 103 103 VAL N N 114.0469 0.0000 1 169 104 104 ASP H H 8.5186 0.0000 1 170 104 104 ASP N N 124.1362 0.0000 1 171 105 105 TYR H H 7.5258 0.0000 1 172 105 105 TYR N N 116.1572 0.0000 1 173 106 106 VAL H H 8.6655 0.0000 1 174 106 106 VAL N N 123.9962 0.0000 1 175 107 107 LEU H H 8.4516 0.0000 1 176 107 107 LEU N N 125.9764 0.0000 1 177 108 108 GLU H H 8.6533 0.0000 1 178 108 108 GLU N N 126.1751 0.0000 1 179 109 109 PHE H H 9.2962 0.0000 1 180 109 109 PHE N N 129.6302 0.0000 1 181 110 110 ASP H H 8.8159 0.0000 1 182 110 110 ASP N N 126.6648 0.0000 1 183 111 111 VAL H H 7.4611 0.0000 1 184 111 111 VAL N N 126.0427 0.0000 1 185 113 113 ASP H H 8.5973 0.0000 1 186 113 113 ASP N N 122.4364 0.0000 1 187 114 114 GLU H H 9.0486 0.0000 1 188 114 114 GLU N N 116.3543 0.0000 1 189 115 115 LEU H H 7.1796 0.0000 1 190 115 115 LEU N N 118.9434 0.0000 1 191 118 118 ASP H H 7.7955 0.0000 1 192 118 118 ASP N N 117.9136 0.0000 1 193 120 120 ILE H H 8.2033 0.0000 1 194 120 120 ILE N N 117.9928 0.0000 1 195 121 121 VAL H H 8.4685 0.0000 1 196 121 121 VAL N N 115.6461 0.0000 1 197 122 122 GLY H H 6.9736 0.0000 1 198 122 122 GLY N N 105.3638 0.0000 1 199 123 123 ARG H H 7.1890 0.0000 1 200 123 123 ARG N N 124.4759 0.0000 1 201 124 124 ARG H H 8.3681 0.0000 1 202 124 124 ARG N N 130.2445 0.0000 1 203 125 125 VAL H H 9.1617 0.0000 1 204 125 125 VAL N N 117.6956 0.0000 1 205 126 126 HIS H H 9.1142 0.0000 1 206 126 126 HIS N N 126.6905 0.0000 1 207 127 127 ALA H H 8.8811 0.0000 1 208 127 127 ALA N N 130.1323 0.0000 1 209 129 129 SER H H 6.7266 0.0000 1 210 129 129 SER N N 108.3927 0.0000 1 211 130 130 GLY H H 8.4263 0.0000 1 212 130 130 GLY N N 113.7913 0.0000 1 213 131 131 ARG H H 8.3688 0.0000 1 214 131 131 ARG N N 122.5387 0.0000 1 215 132 132 VAL H H 7.8346 0.0000 1 216 132 132 VAL N N 119.4547 0.0000 1 217 133 133 TYR H H 9.1902 0.0000 1 218 133 133 TYR N N 125.5740 0.0000 1 219 134 134 HIS H H 8.3386 0.0000 1 220 134 134 HIS N N 123.0664 0.0000 1 221 135 135 VAL H H 7.8128 0.0000 1 222 135 135 VAL N N 120.6922 0.0000 1 223 136 136 LYS H H 9.4446 0.0000 1 224 136 136 LYS N N 120.7326 0.0000 1 225 141 141 LYS H H 10.0503 0.0000 1 226 141 141 LYS N N 124.6631 0.0000 1 227 142 142 VAL H H 8.7253 0.0000 1 228 142 142 VAL N N 121.3978 0.0000 1 229 143 143 GLU H H 8.0489 0.0000 1 230 143 143 GLU N N 126.3337 0.0000 1 231 144 144 GLY H H 8.6450 0.0000 1 232 144 144 GLY N N 112.2893 0.0000 1 233 145 145 LYS H H 7.9015 0.0000 1 234 145 145 LYS N N 120.1837 0.0000 1 235 146 146 ASP H H 8.9547 0.0000 1 236 146 146 ASP N N 120.6684 0.0000 1 237 147 147 ASP H H 7.8531 0.0000 1 238 147 147 ASP N N 127.7884 0.0000 1 239 148 148 VAL H H 6.2868 0.0000 1 240 148 148 VAL N N 116.0514 0.0000 1 241 149 149 THR H H 7.4392 0.0000 1 242 149 149 THR N N 106.3718 0.0000 1 243 150 150 GLY H H 7.7642 0.0000 1 244 150 150 GLY N N 111.9133 0.0000 1 245 151 151 GLU H H 7.5699 0.0000 1 246 151 151 GLU N N 119.5193 0.0000 1 247 152 152 GLU H H 8.6049 0.0000 1 248 152 152 GLU N N 120.6223 0.0000 1 249 153 153 LEU H H 7.9142 0.0000 1 250 153 153 LEU N N 122.2066 0.0000 1 251 154 154 THR H H 9.2934 0.0000 1 252 154 154 THR N N 114.6997 0.0000 1 253 155 155 THR H H 8.2065 0.0000 1 254 155 155 THR N N 115.0937 0.0000 1 255 156 156 ARG H H 9.9491 0.0000 1 256 156 156 ARG N N 128.3324 0.0000 1 257 161 161 GLU H H 9.2540 0.0000 1 258 161 161 GLU N N 126.5285 0.0000 1 259 162 162 GLU H H 9.0648 0.0000 1 260 162 162 GLU N N 117.5349 0.0000 1 261 163 163 THR H H 7.2527 0.0000 1 262 163 163 THR N N 116.6799 0.0000 1 263 166 166 LYS H H 7.3571 0.0000 1 264 166 166 LYS N N 120.0806 0.0000 1 265 168 168 LEU H H 8.5684 0.0000 1 266 168 168 LEU N N 123.4707 0.0000 1 267 169 169 VAL H H 7.5293 0.0000 1 268 169 169 VAL N N 121.8275 0.0000 1 269 170 170 GLU H H 7.7862 0.0000 1 270 170 170 GLU N N 120.1012 0.0000 1 271 171 171 TYR H H 8.3561 0.0000 1 272 171 171 TYR N N 120.8146 0.0000 1 273 173 173 GLN H H 7.9431 0.0000 1 274 173 173 GLN N N 116.5516 0.0000 1 275 174 174 MET H H 8.5287 0.0000 1 276 174 174 MET N N 113.6708 0.0000 1 277 175 175 THR H H 7.8114 0.0000 1 278 175 175 THR N N 117.4400 0.0000 1 279 176 176 ALA H H 7.8699 0.0000 1 280 176 176 ALA N N 126.8342 0.0000 1 281 179 179 ILE H H 8.0662 0.0000 1 282 179 179 ILE N N 123.7646 0.0000 1 283 180 180 GLY H H 7.6432 0.0000 1 284 180 180 GLY N N 110.0021 0.0000 1 285 181 181 TYR H H 7.5681 0.0000 1 286 181 181 TYR N N 123.7430 0.0000 1 287 182 182 TYR H H 8.9895 0.0000 1 288 182 182 TYR N N 117.6286 0.0000 1 289 183 183 SER H H 8.2697 0.0000 1 290 183 183 SER N N 120.4075 0.0000 1 291 184 184 LYS H H 7.6012 0.0000 1 292 184 184 LYS N N 123.9965 0.0000 1 293 185 185 GLU H H 7.4077 0.0000 1 294 185 185 GLU N N 120.3859 0.0000 1 295 186 186 ALA H H 8.2304 0.0000 1 296 186 186 ALA N N 123.4374 0.0000 1 297 187 187 GLU H H 8.0231 0.0000 1 298 187 187 GLU N N 123.2518 0.0000 1 299 188 188 ALA H H 7.3940 0.0000 1 300 188 188 ALA N N 119.4453 0.0000 1 301 189 189 GLY H H 7.8106 0.0000 1 302 189 189 GLY N N 106.0440 0.0000 1 303 190 190 ASN H H 8.1172 0.0000 1 304 190 190 ASN N N 117.6284 0.0000 1 305 191 191 THR H H 7.4348 0.0000 1 306 191 191 THR N N 113.5648 0.0000 1 307 192 192 LYS H H 7.7470 0.0000 1 308 192 192 LYS N N 123.9496 0.0000 1 309 193 193 TYR H H 8.5814 0.0000 1 310 193 193 TYR N N 126.4880 0.0000 1 311 194 194 ALA H H 8.4968 0.0000 1 312 194 194 ALA N N 132.0569 0.0000 1 313 195 195 LYS H H 8.4069 0.0000 1 314 195 195 LYS N N 123.3568 0.0000 1 315 196 196 VAL H H 9.1806 0.0000 1 316 196 196 VAL N N 125.8037 0.0000 1 317 197 197 ASP H H 8.6463 0.0000 1 318 197 197 ASP N N 124.6166 0.0000 1 319 198 198 GLY H H 8.2879 0.0000 1 320 198 198 GLY N N 112.6149 0.0000 1 321 199 199 THR H H 8.7011 0.0000 1 322 199 199 THR N N 112.6343 0.0000 1 323 200 200 LYS H H 6.3133 0.0000 1 324 200 200 LYS N N 123.2133 0.0000 1 325 202 202 VAL H H 8.0978 0.0000 1 326 202 202 VAL N N 123.4465 0.0000 1 327 203 203 ALA H H 8.7596 0.0000 1 328 203 203 ALA N N 118.8787 0.0000 1 329 205 205 VAL H H 7.8985 0.0000 1 330 205 205 VAL N N 122.6252 0.0000 1 331 206 206 ARG H H 7.6921 0.0000 1 332 206 206 ARG N N 119.3970 0.0000 1 333 207 207 ALA H H 7.1592 0.0000 1 334 207 207 ALA N N 121.0758 0.0000 1 335 208 208 ASP H H 8.0162 0.0000 1 336 208 208 ASP N N 122.2513 0.0000 1 337 209 209 LEU H H 8.2843 0.0000 1 338 209 209 LEU N N 121.8151 0.0000 1 339 210 210 GLU H H 8.2049 0.0000 1 340 210 210 GLU N N 120.2103 0.0000 1 341 212 212 ILE H H 7.2340 0.0000 1 342 212 212 ILE N N 120.0058 0.0000 1 343 213 213 LEU H H 7.8932 0.0000 1 344 213 213 LEU N N 118.3246 0.0000 1 345 214 214 GLY H H 7.6315 0.0000 1 346 214 214 GLY N N 112.9498 0.0000 1 stop_ save_ save_assigned_chem_shift_list_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'adenylate 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 2 ARG H H 9.3427 0.0000 1 2 2 2 ARG N N 124.8406 0.0000 1 3 3 3 ILE H H 8.2045 0.0000 1 4 3 3 ILE N N 124.5820 0.0000 1 5 4 4 ILE H H 8.6031 0.0000 1 6 4 4 ILE N N 126.0774 0.0000 1 7 5 5 LEU H H 8.0904 0.0000 1 8 5 5 LEU N N 125.0329 0.0000 1 9 6 6 LEU H H 9.3125 0.0000 1 10 6 6 LEU N N 126.2011 0.0000 1 11 7 7 GLY H H 8.7610 0.0000 1 12 7 7 GLY N N 110.2238 0.0000 1 13 8 8 ALA H H 8.7193 0.0000 1 14 8 8 ALA N N 127.2802 0.0000 1 15 12 12 GLY H H 8.2396 0.0000 1 16 12 12 GLY N N 107.6302 0.0000 1 17 16 16 GLN H H 7.7514 0.0000 1 18 16 16 GLN N N 118.6375 0.0000 1 19 17 17 ALA H H 9.3450 0.0000 1 20 17 17 ALA N N 125.0212 0.0000 1 21 18 18 GLN H H 7.1002 0.0000 1 22 18 18 GLN N N 114.6958 0.0000 1 23 19 19 PHE H H 6.6844 0.0000 1 24 19 19 PHE N N 118.7515 0.0000 1 25 21 21 MET H H 8.3968 0.0000 1 26 21 21 MET N N 120.6036 0.0000 1 27 22 22 GLU H H 7.3940 0.0000 1 28 22 22 GLU N N 118.7584 0.0000 1 29 23 23 LYS H H 7.9849 0.0000 1 30 23 23 LYS N N 119.5169 0.0000 1 31 24 24 TYR H H 8.1215 0.0000 1 32 24 24 TYR N N 113.9354 0.0000 1 33 25 25 GLY H H 7.6473 0.0000 1 34 25 25 GLY N N 109.9961 0.0000 1 35 26 26 ILE H H 6.7412 0.0000 1 36 26 26 ILE N N 113.2612 0.0000 1 37 28 28 GLN H H 7.9542 0.0000 1 38 28 28 GLN N N 121.7736 0.0000 1 39 29 29 ILE H H 9.5419 0.0000 1 40 29 29 ILE N N 132.1081 0.0000 1 41 30 30 SER H H 8.4998 0.0000 1 42 30 30 SER N N 120.8246 0.0000 1 43 32 32 GLY H H 10.4575 0.0000 1 44 32 32 GLY N N 113.0944 0.0000 1 45 35 35 LEU H H 8.4931 0.0000 1 46 35 35 LEU N N 122.6514 0.0000 1 47 37 37 ALA H H 8.0336 0.0000 1 48 37 37 ALA N N 123.1732 0.0000 1 49 38 38 ALA H H 7.7716 0.0000 1 50 38 38 ALA N N 124.1129 0.0000 1 51 39 39 VAL H H 8.1194 0.0000 1 52 39 39 VAL N N 120.0965 0.0000 1 53 40 40 LYS H H 7.7796 0.0000 1 54 40 40 LYS N N 121.1840 0.0000 1 55 41 41 SER H H 7.9207 0.0000 1 56 41 41 SER N N 113.3933 0.0000 1 57 42 42 GLY H H 7.7215 0.0000 1 58 42 42 GLY N N 110.6014 0.0000 1 59 43 43 SER H H 7.5755 0.0000 1 60 43 43 SER N N 115.0692 0.0000 1 61 44 44 GLU H H 8.7283 0.0000 1 62 44 44 GLU N N 122.3234 0.0000 1 63 45 45 LEU H H 8.0298 0.0000 1 64 45 45 LEU N N 120.4328 0.0000 1 65 46 46 GLY H H 7.6908 0.0000 1 66 46 46 GLY N N 107.5749 0.0000 1 67 47 47 LYS H H 8.1721 0.0000 1 68 47 47 LYS N N 121.6920 0.0000 1 69 48 48 GLN H H 7.5748 0.0000 1 70 48 48 GLN N N 117.7536 0.0000 1 71 49 49 ALA H H 8.0359 0.0000 1 72 49 49 ALA N N 120.3110 0.0000 1 73 50 50 LYS H H 7.8610 0.0000 1 74 50 50 LYS N N 119.0331 0.0000 1 75 51 51 ASP H H 8.0967 0.0000 1 76 51 51 ASP N N 117.1286 0.0000 1 77 52 52 ILE H H 7.1978 0.0000 1 78 52 52 ILE N N 121.7040 0.0000 1 79 53 53 MET H H 8.1484 0.0000 1 80 53 53 MET N N 119.1402 0.0000 1 81 54 54 ASP H H 8.3790 0.0000 1 82 54 54 ASP N N 121.0993 0.0000 1 83 55 55 ALA H H 7.1364 0.0000 1 84 55 55 ALA N N 119.8357 0.0000 1 85 56 56 GLY H H 7.9078 0.0000 1 86 56 56 GLY N N 106.7374 0.0000 1 87 57 57 LYS H H 7.2630 0.0000 1 88 57 57 LYS N N 119.0186 0.0000 1 89 60 60 THR H H 7.3021 0.0000 1 90 60 60 THR N N 119.1441 0.0000 1 91 61 61 ASP H H 8.6264 0.0000 1 92 61 61 ASP N N 126.1207 0.0000 1 93 62 62 GLU H H 9.1696 0.0000 1 94 62 62 GLU N N 117.2536 0.0000 1 95 63 63 LEU H H 6.9494 0.0000 1 96 63 63 LEU N N 118.3488 0.0000 1 97 64 64 VAL H H 7.0388 0.0000 1 98 64 64 VAL N N 115.6609 0.0000 1 99 65 65 ILE H H 8.6885 0.0000 1 100 65 65 ILE N N 120.8705 0.0000 1 101 66 66 ALA H H 7.1004 0.0000 1 102 66 66 ALA N N 120.5429 0.0000 1 103 67 67 LEU H H 7.1338 0.0000 1 104 67 67 LEU N N 118.6129 0.0000 1 105 68 68 VAL H H 7.9168 0.0000 1 106 68 68 VAL N N 120.2531 0.0000 1 107 69 69 LYS H H 8.2583 0.0000 1 108 69 69 LYS N N 118.9107 0.0000 1 109 70 70 GLU H H 7.2734 0.0000 1 110 70 70 GLU N N 117.2077 0.0000 1 111 71 71 ARG H H 7.4526 0.0000 1 112 71 71 ARG N N 120.9374 0.0000 1 113 72 72 ILE H H 8.1206 0.0000 1 114 72 72 ILE N N 113.0672 0.0000 1 115 73 73 ALA H H 6.8070 0.0000 1 116 73 73 ALA N N 122.0189 0.0000 1 117 74 74 GLN H H 7.1452 0.0000 1 118 74 74 GLN N N 117.2445 0.0000 1 119 75 75 GLU H H 8.6611 0.0000 1 120 75 75 GLU N N 122.3021 0.0000 1 121 76 76 ASP H H 8.3919 0.0000 1 122 76 76 ASP N N 118.1132 0.0000 1 123 77 77 CYS H H 7.5973 0.0000 1 124 77 77 CYS N N 118.5396 0.0000 1 125 78 78 ARG H H 7.6219 0.0000 1 126 78 78 ARG N N 122.4007 0.0000 1 127 79 79 ASN H H 8.3219 0.0000 1 128 79 79 ASN N N 115.8902 0.0000 1 129 80 80 GLY H H 7.3050 0.0000 1 130 80 80 GLY N N 108.1404 0.0000 1 131 81 81 PHE H H 7.6366 0.0000 1 132 81 81 PHE N N 110.3455 0.0000 1 133 82 82 LEU H H 8.6570 0.0000 1 134 82 82 LEU N N 122.3078 0.0000 1 135 83 83 LEU H H 9.4999 0.0000 1 136 83 83 LEU N N 128.3900 0.0000 1 137 84 84 ASP H H 8.5622 0.0000 1 138 84 84 ASP N N 124.3387 0.0000 1 139 86 86 PHE H H 7.2841 0.0000 1 140 86 86 PHE N N 119.5406 0.0000 1 141 88 88 ARG H H 7.7965 0.0000 1 142 88 88 ARG N N 113.5980 0.0000 1 143 89 89 THR H H 6.9964 0.0000 1 144 89 89 THR N N 107.7944 0.0000 1 145 90 90 ILE H H 9.5940 0.0000 1 146 90 90 ILE N N 124.1544 0.0000 1 147 92 92 GLN H H 7.1025 0.0000 1 148 92 92 GLN N N 116.2136 0.0000 1 149 93 93 ALA H H 7.4248 0.0000 1 150 93 93 ALA N N 124.8472 0.0000 1 151 94 94 ASP H H 8.9236 0.0000 1 152 94 94 ASP N N 121.3460 0.0000 1 153 95 95 ALA H H 7.9078 0.0000 1 154 95 95 ALA N N 123.0069 0.0000 1 155 96 96 MET H H 7.5353 0.0000 1 156 96 96 MET N N 118.1142 0.0000 1 157 97 97 LYS H H 7.5662 0.0000 1 158 97 97 LYS N N 121.5171 0.0000 1 159 98 98 GLU H H 8.4948 0.0000 1 160 98 98 GLU N N 121.6748 0.0000 1 161 100 100 GLY H H 7.8054 0.0000 1 162 100 100 GLY N N 108.2888 0.0000 1 163 101 101 ILE H H 7.9682 0.0000 1 164 101 101 ILE N N 122.0638 0.0000 1 165 102 102 ASN H H 7.8950 0.0000 1 166 102 102 ASN N N 125.8026 0.0000 1 167 103 103 VAL H H 8.5912 0.0000 1 168 103 103 VAL N N 114.1395 0.0000 1 169 104 104 ASP H H 8.5461 0.0000 1 170 104 104 ASP N N 124.2575 0.0000 1 171 105 105 TYR H H 7.5585 0.0000 1 172 105 105 TYR N N 116.1764 0.0000 1 173 106 106 VAL H H 8.6558 0.0000 1 174 106 106 VAL N N 123.9330 0.0000 1 175 107 107 LEU H H 8.4546 0.0000 1 176 107 107 LEU N N 126.0689 0.0000 1 177 108 108 GLU H H 8.5934 0.0000 1 178 108 108 GLU N N 126.0488 0.0000 1 179 109 109 PHE H H 9.2316 0.0000 1 180 109 109 PHE N N 129.5984 0.0000 1 181 110 110 ASP H H 8.7800 0.0000 1 182 110 110 ASP N N 126.6648 0.0000 1 183 111 111 VAL H H 7.4327 0.0000 1 184 111 111 VAL N N 125.8888 0.0000 1 185 113 113 ASP H H 8.5116 0.0000 1 186 113 113 ASP N N 122.2627 0.0000 1 187 114 114 GLU H H 9.0145 0.0000 1 188 114 114 GLU N N 116.2581 0.0000 1 189 115 115 LEU H H 7.1881 0.0000 1 190 115 115 LEU N N 118.9434 0.0000 1 191 118 118 ASP H H 7.7982 0.0000 1 192 118 118 ASP N N 117.8164 0.0000 1 193 120 120 ILE H H 8.1745 0.0000 1 194 120 120 ILE N N 117.9625 0.0000 1 195 121 121 VAL H H 8.4221 0.0000 1 196 121 121 VAL N N 115.4796 0.0000 1 197 122 122 GLY H H 7.0049 0.0000 1 198 122 122 GLY N N 105.4407 0.0000 1 199 123 123 ARG H H 7.2032 0.0000 1 200 123 123 ARG N N 124.4182 0.0000 1 201 124 124 ARG H H 8.3837 0.0000 1 202 124 124 ARG N N 130.0906 0.0000 1 203 125 125 VAL H H 9.1276 0.0000 1 204 125 125 VAL N N 117.7918 0.0000 1 205 126 126 HIS H H 9.1326 0.0000 1 206 126 126 HIS N N 126.9299 0.0000 1 207 127 127 ALA H H 8.8205 0.0000 1 208 127 127 ALA N N 130.3118 0.0000 1 209 129 129 SER H H 6.7266 0.0000 1 210 129 129 SER N N 108.4696 0.0000 1 211 130 130 GLY H H 8.4188 0.0000 1 212 130 130 GLY N N 113.6618 0.0000 1 213 131 131 ARG H H 8.3527 0.0000 1 214 131 131 ARG N N 122.4124 0.0000 1 215 132 132 VAL H H 7.7955 0.0000 1 216 132 132 VAL N N 119.5154 0.0000 1 217 133 133 TYR H H 9.1716 0.0000 1 218 133 133 TYR N N 125.8673 0.0000 1 219 134 134 HIS H H 8.2541 0.0000 1 220 134 134 HIS N N 122.9639 0.0000 1 221 135 135 VAL H H 7.8088 0.0000 1 222 135 135 VAL N N 120.7587 0.0000 1 223 136 136 LYS H H 9.4359 0.0000 1 224 136 136 LYS N N 120.5738 0.0000 1 225 141 141 LYS H H 10.0180 0.0000 1 226 141 141 LYS N N 124.5678 0.0000 1 227 142 142 VAL H H 8.7089 0.0000 1 228 142 142 VAL N N 121.3095 0.0000 1 229 143 143 GLU H H 8.0038 0.0000 1 230 143 143 GLU N N 126.2192 0.0000 1 231 144 144 GLY H H 8.5463 0.0000 1 232 144 144 GLY N N 112.0109 0.0000 1 233 145 145 LYS H H 7.8878 0.0000 1 234 145 145 LYS N N 120.2402 0.0000 1 235 146 146 ASP H H 8.9290 0.0000 1 236 146 146 ASP N N 120.5894 0.0000 1 237 147 147 ASP H H 7.8355 0.0000 1 238 147 147 ASP N N 127.7467 0.0000 1 239 148 148 VAL H H 6.3181 0.0000 1 240 148 148 VAL N N 115.9938 0.0000 1 241 149 149 THR H H 7.4534 0.0000 1 242 149 149 THR N N 106.3718 0.0000 1 243 150 150 GLY H H 7.7657 0.0000 1 244 150 150 GLY N N 111.7787 0.0000 1 245 151 151 GLU H H 7.5699 0.0000 1 246 151 151 GLU N N 119.4616 0.0000 1 247 152 152 GLU H H 8.5632 0.0000 1 248 152 152 GLU N N 120.5592 0.0000 1 249 153 153 LEU H H 7.9114 0.0000 1 250 153 153 LEU N N 121.8214 0.0000 1 251 154 154 THR H H 9.2550 0.0000 1 252 154 154 THR N N 114.8536 0.0000 1 253 155 155 THR H H 8.1554 0.0000 1 254 155 155 THR N N 115.1130 0.0000 1 255 156 156 ARG H H 9.8802 0.0000 1 256 156 156 ARG N N 127.8876 0.0000 1 257 161 161 GLU H H 9.2300 0.0000 1 258 161 161 GLU N N 126.2837 0.0000 1 259 162 162 GLU H H 9.0222 0.0000 1 260 162 162 GLU N N 117.4580 0.0000 1 261 163 163 THR H H 7.2613 0.0000 1 262 163 163 THR N N 116.4491 0.0000 1 263 166 166 LYS H H 7.3571 0.0000 1 264 166 166 LYS N N 120.0806 0.0000 1 265 168 168 LEU H H 8.5374 0.0000 1 266 168 168 LEU N N 123.2180 0.0000 1 267 169 169 VAL H H 7.5398 0.0000 1 268 169 169 VAL N N 121.6261 0.0000 1 269 170 170 GLU H H 7.7862 0.0000 1 270 170 170 GLU N N 120.1012 0.0000 1 271 171 171 TYR H H 8.3271 0.0000 1 272 171 171 TYR N N 120.8354 0.0000 1 273 173 173 GLN H H 7.9531 0.0000 1 274 173 173 GLN N N 116.4362 0.0000 1 275 174 174 MET H H 8.4923 0.0000 1 276 174 174 MET N N 113.7818 0.0000 1 277 175 175 THR H H 7.6854 0.0000 1 278 175 175 THR N N 117.5271 0.0000 1 279 176 176 ALA H H 7.8755 0.0000 1 280 176 176 ALA N N 126.6781 0.0000 1 281 179 179 ILE H H 8.0771 0.0000 1 282 179 179 ILE N N 123.5698 0.0000 1 283 180 180 GLY H H 7.5885 0.0000 1 284 180 180 GLY N N 109.6320 0.0000 1 285 181 181 TYR H H 7.5596 0.0000 1 286 181 181 TYR N N 123.8392 0.0000 1 287 182 182 TYR H H 8.9568 0.0000 1 288 182 182 TYR N N 117.5902 0.0000 1 289 183 183 SER H H 8.2640 0.0000 1 290 183 183 SER N N 120.1575 0.0000 1 291 184 184 LYS H H 7.5693 0.0000 1 292 184 184 LYS N N 123.8645 0.0000 1 293 185 185 GLU H H 7.4205 0.0000 1 294 185 185 GLU N N 120.4096 0.0000 1 295 186 186 ALA H H 8.2149 0.0000 1 296 186 186 ALA N N 123.4140 0.0000 1 297 187 187 GLU H H 8.0047 0.0000 1 298 187 187 GLU N N 123.1164 0.0000 1 299 188 188 ALA H H 7.3997 0.0000 1 300 188 188 ALA N N 119.4453 0.0000 1 301 189 189 GLY H H 7.7964 0.0000 1 302 189 189 GLY N N 105.9479 0.0000 1 303 190 190 ASN H H 8.1023 0.0000 1 304 190 190 ASN N N 117.6804 0.0000 1 305 191 191 THR H H 7.4293 0.0000 1 306 191 191 THR N N 113.5354 0.0000 1 307 192 192 LYS H H 7.7484 0.0000 1 308 192 192 LYS N N 123.8246 0.0000 1 309 193 193 TYR H H 8.4924 0.0000 1 310 193 193 TYR N N 126.4110 0.0000 1 311 194 194 ALA H H 8.4779 0.0000 1 312 194 194 ALA N N 131.9543 0.0000 1 313 195 195 LYS H H 8.4157 0.0000 1 314 195 195 LYS N N 123.3401 0.0000 1 315 196 196 VAL H H 9.1713 0.0000 1 316 196 196 VAL N N 125.8557 0.0000 1 317 197 197 ASP H H 8.6189 0.0000 1 318 197 197 ASP N N 124.8997 0.0000 1 319 198 198 GLY H H 8.2822 0.0000 1 320 198 198 GLY N N 112.6534 0.0000 1 321 199 199 THR H H 8.6971 0.0000 1 322 199 199 THR N N 112.5082 0.0000 1 323 200 200 LYS H H 6.3374 0.0000 1 324 200 200 LYS N N 123.2326 0.0000 1 325 202 202 VAL H H 8.0431 0.0000 1 326 202 202 VAL N N 123.2047 0.0000 1 327 203 203 ALA H H 8.6932 0.0000 1 328 203 203 ALA N N 118.8629 0.0000 1 329 205 205 VAL H H 7.8942 0.0000 1 330 205 205 VAL N N 122.5627 0.0000 1 331 206 206 ARG H H 7.6744 0.0000 1 332 206 206 ARG N N 119.3140 0.0000 1 333 207 207 ALA H H 7.1436 0.0000 1 334 207 207 ALA N N 120.9989 0.0000 1 335 208 208 ASP H H 7.9800 0.0000 1 336 208 208 ASP N N 122.1625 0.0000 1 337 209 209 LEU H H 8.2716 0.0000 1 338 209 209 LEU N N 121.6420 0.0000 1 339 210 210 GLU H H 8.2062 0.0000 1 340 210 210 GLU N N 120.0622 0.0000 1 341 212 212 ILE H H 7.2763 0.0000 1 342 212 212 ILE N N 119.8929 0.0000 1 343 213 213 LEU H H 7.8915 0.0000 1 344 213 213 LEU N N 118.3018 0.0000 1 345 214 214 GLY H H 7.5946 0.0000 1 346 214 214 GLY N N 112.8921 0.0000 1 stop_ save_