data_18687 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N backbone resonance assignments of Escherichia coli Adenylate kinase: wild type with 0.35 M TMAO. ; _BMRB_accession_number 18687 _BMRB_flat_file_name bmr18687.str _Entry_type original _Submission_date 2012-08-30 _Accession_date 2012-08-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aden Jorgen . . 2 Verma Abhinav . . 3 Schug Alexander . . 4 Wolf-Watz Magnus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 155 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-10-18 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18683 'wild type' 18686 E170A stop_ _Original_release_date 2012-10-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Modulation of a Pre-existing Conformational Equilibrium Tunes Adenylate Kinase Activity.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22963267 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aden Jorgen . . 2 Verma Abhinav . . 3 Schug Alexander . . 4 Wolf-Watz Magnus . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 134 _Journal_issue 40 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16562 _Page_last 16570 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E coli adenylate kinase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E coli adenylate kinase: wild type' $adenylate_kinase 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common adenylate_kinase _Molecular_mass . _Mol_thiol_state 'not reported' _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 19089 adenylate_kinase_wild_type 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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $adenylate_kinase '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 'recombinant technology' . Escherichia coli . peT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'E. coli Adenylate kinase' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $adenylate_kinase 1 mM '[U-100% 15N]' stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details 'E. coli adenylate kinase E170A mutant' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $adenylate_kinase 1 mM '[U-100% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'E. coli adenylate kinase with 0.35 M TMAO' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $adenylate_kinase 1 mM '[U-100% 15N]' TMAO 0.35 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_2 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Sample_2 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 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 273 . 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 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 internal indirect . . . . 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_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'E coli adenylate kinase: wild type' _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 4 4 ILE H H 8.62 . . 2 4 4 ILE N N 123.19 . . 3 5 5 LEU H H 8.2 . . 4 5 5 LEU N N 125.96 . . 5 6 6 LEU H H 9.41 . . 6 6 6 LEU N N 125.67 . . 7 7 7 GLY H H 8.12 . . 8 7 7 GLY N N 105.47 . . 9 8 8 ALA H H 9.2 . . 10 8 8 ALA N N 123.75 . . 11 10 10 GLY H H 8.33 . . 12 10 10 GLY N N 108.8 . . 13 12 12 GLY H H 8.39 . . 14 12 12 GLY N N 102.02 . . 15 13 13 LYS H H 8.08 . . 16 13 13 LYS N N 117.85 . . 17 16 16 GLN H H 7 . . 18 16 16 GLN N N 114.77 . . 19 17 17 ALA H H 8.06 . . 20 17 17 ALA N N 119.67 . . 21 18 18 GLN H H 7.68 . . 22 18 18 GLN N N 111.97 . . 23 19 19 PHE H H 7 . . 24 19 19 PHE N N 115.95 . . 25 21 21 MET H H 8.4 . . 26 21 21 MET N N 115.35 . . 27 22 22 GLU H H 7.82 . . 28 22 22 GLU N N 114.46 . . 29 24 24 TYR H H 7.69 . . 30 24 24 TYR N N 109.38 . . 31 25 25 GLY H H 7.69 . . 32 25 25 GLY N N 108.62 . . 33 28 28 GLN H H 8.25 . . 34 28 28 GLN N N 116.21 . . 35 29 29 ILE H H 9.36 . . 36 29 29 ILE N N 124.16 . . 37 31 31 THR H H 9.32 . . 38 31 31 THR N N 115.38 . . 39 33 33 ASP H H 7.46 . . 40 33 33 ASP N N 118.61 . . 41 34 34 MET H H 8.16 . . 42 34 34 MET N N 117.51 . . 43 36 36 ARG H H 7.69 . . 44 36 36 ARG N N 114.87 . . 45 37 37 ALA H H 8.03 . . 46 37 37 ALA N N 117.27 . . 47 40 40 LYS H H 7.67 . . 48 40 40 LYS N N 116.27 . . 49 41 41 SER H H 7.9 . . 50 41 41 SER N N 110.6 . . 51 42 42 GLY H H 7.88 . . 52 42 42 GLY N N 106.82 . . 53 43 43 SER H H 7.85 . . 54 43 43 SER N N 112.44 . . 55 44 44 GLU H H 8.96 . . 56 44 44 GLU N N 119.87 . . 57 45 45 LEU H H 8.47 . . 58 45 45 LEU N N 116.33 . . 59 46 46 GLY H H 8.1 . . 60 46 46 GLY N N 105.07 . . 61 47 47 LYS H H 8.37 . . 62 47 47 LYS N N 119.39 . . 63 49 49 ALA H H 8.32 . . 64 49 49 ALA N N 117.79 . . 65 50 50 LYS H H 8.44 . . 66 50 50 LYS N N 116.74 . . 67 52 52 ILE H H 7.55 . . 68 52 52 ILE N N 118.06 . . 69 53 53 MET H H 8.37 . . 70 53 53 MET N N 116.5 . . 71 54 54 ASP H H 9.26 . . 72 54 54 ASP N N 119.18 . . 73 55 55 ALA H H 7.3 . . 74 55 55 ALA N N 116.89 . . 75 56 56 GLY H H 8.03 . . 76 56 56 GLY N N 104.75 . . 77 57 57 LYS H H 7.51 . . 78 57 57 LYS N N 116.38 . . 79 58 58 LEU H H 7.9 . . 80 58 58 LEU N N 116.46 . . 81 59 59 VAL H H 8.32 . . 82 59 59 VAL N N 118.65 . . 83 60 60 THR H H 7.02 . . 84 60 60 THR N N 113.56 . . 85 61 61 ASP H H 8.92 . . 86 61 61 ASP N N 119.01 . . 87 62 62 GLU H H 8.72 . . 88 62 62 GLU N N 114.2 . . 89 63 63 LEU H H 7.46 . . 90 63 63 LEU N N 119.49 . . 91 64 64 VAL H H 7.94 . . 92 64 64 VAL N N 115.66 . . 93 65 65 ILE H H 8.37 . . 94 65 65 ILE N N 116.02 . . 95 66 66 ALA H H 7.58 . . 96 66 66 ALA N N 119.68 . . 97 68 68 VAL H H 8.52 . . 98 68 68 VAL N N 120.24 . . 99 69 69 LYS H H 8.35 . . 100 69 69 LYS N N 115.74 . . 101 70 70 GLU H H 7.48 . . 102 70 70 GLU N N 114.25 . . 103 72 72 ILE H H 8.21 . . 104 72 72 ILE N N 107.76 . . 105 73 73 ALA H H 7.06 . . 106 73 73 ALA N N 119.49 . . 107 74 74 GLN H H 7.26 . . 108 74 74 GLN N N 113.83 . . 109 75 75 GLU H H 9 . . 110 75 75 GLU N N 119.3 . . 111 77 77 CYS H H 7.73 . . 112 77 77 CYS N N 115.21 . . 113 78 78 ARG H H 7.69 . . 114 78 78 ARG N N 119.73 . . 115 79 79 ASN H H 8.97 . . 116 79 79 ASN N N 112.05 . . 117 80 80 GLY H H 7.74 . . 118 80 80 GLY N N 106.22 . . 119 81 81 PHE H H 7.34 . . 120 81 81 PHE N N 105.46 . . 121 82 82 LEU H H 8.85 . . 122 82 82 LEU N N 119.67 . . 123 83 83 LEU H H 9.51 . . 124 83 83 LEU N N 125.18 . . 125 84 84 ASP H H 8.71 . . 126 84 84 ASP N N 121.36 . . 127 85 85 GLY H H 8.96 . . 128 85 85 GLY N N 110.2 . . 129 86 86 PHE H H 7.37 . . 130 86 86 PHE N N 117.16 . . 131 88 88 ARG H H 8.61 . . 132 88 88 ARG N N 111.61 . . 133 89 89 THR H H 7.12 . . 134 89 89 THR N N 104.12 . . 135 90 90 ILE H H 9.04 . . 136 90 90 ILE N N 118.62 . . 137 93 93 ALA H H 7.75 . . 138 93 93 ALA N N 121.96 . . 139 95 95 ALA H H 8.1 . . 140 95 95 ALA N N 120.1 . . 141 97 97 LYS H H 7.58 . . 142 97 97 LYS N N 117.89 . . 143 100 100 GLY H H 7.87 . . 144 100 100 GLY N N 103.64 . . 145 102 102 ASN H H 7.91 . . 146 102 102 ASN N N 120.66 . . 147 103 103 VAL H H 8.39 . . 148 103 103 VAL N N 110.14 . . 149 105 105 TYR H H 7.61 . . 150 105 105 TYR N N 111.41 . . 151 106 106 VAL H H 8.97 . . 152 106 106 VAL N N 120.51 . . 153 107 107 LEU H H 8.92 . . 154 107 107 LEU N N 121.63 . . 155 108 108 GLU H H 8.79 . . 156 108 108 GLU N N 121.65 . . 157 109 109 PHE H H 9.28 . . 158 109 109 PHE N N 127.83 . . 159 110 110 ASP H H 8.75 . . 160 110 110 ASP N N 125.81 . . 161 111 111 VAL H H 7.4 . . 162 111 111 VAL N N 122.87 . . 163 113 113 ASP H H 8.89 . . 164 113 113 ASP N N 121.14 . . 165 114 114 GLU H H 9.01 . . 166 114 114 GLU N N 111.63 . . 167 115 115 LEU H H 7.09 . . 168 115 115 LEU N N 116.16 . . 169 116 116 ILE H H 7.4 . . 170 116 116 ILE N N 117.97 . . 171 117 117 VAL H H 8.29 . . 172 117 117 VAL N N 114.2 . . 173 118 118 ASP H H 7.76 . . 174 118 118 ASP N N 114.08 . . 175 121 121 VAL H H 8.91 . . 176 121 121 VAL N N 112.3 . . 177 122 122 GLY H H 7.44 . . 178 122 122 GLY N N 103.41 . . 179 123 123 ARG H H 7.69 . . 180 123 123 ARG N N 117.88 . . 181 124 124 ARG H H 8.85 . . 182 124 124 ARG N N 122.73 . . 183 125 125 VAL H H 9.3 . . 184 125 125 VAL N N 115.18 . . 185 126 126 HIS H H 9.19 . . 186 126 126 HIS N N 123.85 . . 187 127 127 ALA H H 9.05 . . 188 127 127 ALA N N 126.76 . . 189 129 129 SER H H 6.78 . . 190 129 129 SER N N 104.47 . . 191 130 130 GLY H H 8.6 . . 192 130 130 GLY N N 110.12 . . 193 131 131 ARG H H 8.45 . . 194 131 131 ARG N N 119.14 . . 195 134 134 HIS H H 8.4 . . 196 134 134 HIS N N 117.88 . . 197 136 136 LYS H H 9.52 . . 198 136 136 LYS N N 116.96 . . 199 138 138 ASN H H 8.61 . . 200 138 138 ASN N N 111.34 . . 201 141 141 LYS H H 10.08 . . 202 141 141 LYS N N 121.22 . . 203 143 143 GLU H H 8.14 . . 204 143 143 GLU N N 122.62 . . 205 144 144 GLY H H 8.88 . . 206 144 144 GLY N N 108.86 . . 207 146 146 ASP H H 9.02 . . 208 146 146 ASP N N 116.96 . . 209 147 147 ASP H H 7.88 . . 210 147 147 ASP N N 124.25 . . 211 148 148 VAL H H 6.33 . . 212 148 148 VAL N N 111.99 . . 213 149 149 THR H H 7.47 . . 214 149 149 THR N N 102.5 . . 215 150 150 GLY H H 7.85 . . 216 150 150 GLY N N 108.1 . . 217 152 152 GLU H H 8.69 . . 218 152 152 GLU N N 116.73 . . 219 153 153 LEU H H 7.91 . . 220 153 153 LEU N N 118.06 . . 221 154 154 THR H H 9.3 . . 222 154 154 THR N N 111.45 . . 223 155 155 THR H H 8.37 . . 224 155 155 THR N N 113.11 . . 225 156 156 ARG H H 9.8 . . 226 156 156 ARG N N 124.45 . . 227 157 157 LYS H H 8.87 . . 228 157 157 LYS N N 122.33 . . 229 158 158 ASP H H 8.37 . . 230 158 158 ASP N N 111.65 . . 231 160 160 GLN H H 7.03 . . 232 160 160 GLN N N 114.44 . . 233 162 162 GLU H H 9.25 . . 234 162 162 GLU N N 113.52 . . 235 164 164 VAL H H 8.23 . . 236 164 164 VAL N N 120.13 . . 237 165 165 ARG H H 8.75 . . 238 165 165 ARG N N 113.93 . . 239 166 166 LYS H H 7.72 . . 240 166 166 LYS N N 117.17 . . 241 167 167 ARG H H 8.04 . . 242 167 167 ARG N N 115.78 . . 243 171 171 TYR H H 8.21 . . 244 171 171 TYR N N 117.15 . . 245 173 173 GLN H H 8.54 . . 246 173 173 GLN N N 116.08 . . 247 174 174 MET H H 7.77 . . 248 174 174 MET N N 112.65 . . 249 175 175 THR H H 8.17 . . 250 175 175 THR N N 110.03 . . 251 176 176 ALA H H 8.44 . . 252 176 176 ALA N N 123.12 . . 253 178 178 LEU H H 6.88 . . 254 178 178 LEU N N 116.24 . . 255 179 179 ILE H H 8.46 . . 256 179 179 ILE N N 118.1 . . 257 180 180 GLY H H 7.88 . . 258 180 180 GLY N N 104.7 . . 259 181 181 TYR H H 7.94 . . 260 181 181 TYR N N 120.8 . . 261 182 182 TYR H H 8.91 . . 262 182 182 TYR N N 115.8 . . 263 184 184 LYS H H 7.43 . . 264 184 184 LYS N N 120.54 . . 265 185 185 GLU H H 8 . . 266 185 185 GLU N N 117.92 . . 267 186 186 ALA H H 8.35 . . 268 186 186 ALA N N 119.92 . . 269 187 187 GLU H H 7.96 . . 270 187 187 GLU N N 119.03 . . 271 188 188 ALA H H 7.48 . . 272 188 188 ALA N N 115.74 . . 273 189 189 GLY H H 7.81 . . 274 189 189 GLY N N 102.25 . . 275 190 190 ASN H H 8.15 . . 276 190 190 ASN N N 114.26 . . 277 191 191 THR H H 7.52 . . 278 191 191 THR N N 110.24 . . 279 192 192 LYS H H 7.84 . . 280 192 192 LYS N N 119.67 . . 281 193 193 TYR H H 8.29 . . 282 193 193 TYR N N 120.94 . . 283 194 194 ALA H H 8.27 . . 284 194 194 ALA N N 127.18 . . 285 195 195 LYS H H 8.31 . . 286 195 195 LYS N N 119.5 . . 287 196 196 VAL H H 9.07 . . 288 196 196 VAL N N 122.12 . . 289 197 197 ASP H H 8.74 . . 290 197 197 ASP N N 121.81 . . 291 198 198 GLY H H 8.39 . . 292 198 198 GLY N N 109.08 . . 293 199 199 THR H H 8.66 . . 294 199 199 THR N N 108.83 . . 295 200 200 LYS H H 6.57 . . 296 200 200 LYS N N 118.65 . . 297 202 202 VAL H H 8.47 . . 298 202 202 VAL N N 120.63 . . 299 204 204 GLU H H 7.39 . . 300 204 204 GLU N N 114.86 . . 301 205 205 VAL H H 7.86 . . 302 205 205 VAL N N 118.24 . . 303 207 207 ALA H H 7.23 . . 304 207 207 ALA N N 117.49 . . 305 209 209 LEU H H 8.53 . . 306 209 209 LEU N N 117.61 . . 307 210 210 GLU H H 8.43 . . 308 210 210 GLU N N 115.93 . . 309 212 212 ILE H H 7.59 . . 310 212 212 ILE N N 116.24 . . stop_ save_