data_27001 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Adenylate kinase variant R119K Apo form ; _BMRB_accession_number 27001 _BMRB_flat_file_name bmr27001.str _Entry_type original _Submission_date 2017-01-19 _Accession_date 2017-01-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Adenylate kinase variant R119K in Apo form plus bound to Ap5A' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rogne Per . . 2 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" 185 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-22 update BMRB 'update entry citation' 2019-07-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26999 'Adenylate kinase wild type Apo form' 27000 'Adenylate kinase R119A mutant Apo form' 27004 'Adenylate kinase wild type bound to Ap5A' 27005 'Adenylate kinase wild type bound to ATP' 27006 'Adenylate kinase wild type bound to AMP' 27007 'Adenylate kinase R119A mutant bound to Ap5A' 27008 'Adenylate kinase R119A mutant bound to ATP' 27009 'Adenylate kinase R119A mutant bound to AMP' 27010 'Adenylate kinase R119K mutant bound to Ap5A' stop_ _Original_release_date 2017-01-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nucleation of an Activating Conformational Change by a Cation-pi Interaction ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31339702 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rogne Per . . 2 Andersson David . . 3 Grundstrom Christin . . 4 Sauer-Eriksson Elisabeth . . 5 Linusson Anna . . 6 Wolf-Watz Magnus . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 58 _Journal_issue 32 _Journal_ISSN 1520-4995 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3408 _Page_last 3412 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name R119K _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label R119K $R119K 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_R119K _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common R119K _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDKI 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 LYS 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 . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $R119K '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 $R119K 'recombinant technology' . Escherichia coli . pEAK91 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_R119K_Apo _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $R119K 200 uM [U-15N] MOPS 30 mM 'natural abundance' NaCl 50 mM 'natural abundance' TMSP 100 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_ save_ANSIG _Saveframe_category software _Name ANSIG _Version . loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIIIHD _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $R119K_Apo save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 80 . mM pH 7 . 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 TMSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TMSP N 15 'methyl protons' ppm 118 internal 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_chemical_shifts_R119K_Apo _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $R119K_Apo stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name R119K _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 9.579 0.01 1 2 2 2 ARG N N 127.615 0.02 1 3 3 3 ILE H H 8.519 0.01 1 4 3 3 ILE N N 124.718 0.02 1 5 4 4 ILE H H 8.551 0.01 1 6 4 4 ILE N N 126.037 0.02 1 7 5 5 LEU H H 8.01 0.01 1 8 5 5 LEU N N 128.831 0.02 1 9 6 6 LEU H H 9.396 0.01 1 10 6 6 LEU N N 129.054 0.02 1 11 7 7 GLY H H 8.011 0.01 1 12 7 7 GLY N N 108.402 0.02 1 13 8 8 ALA H H 9.231 0.01 1 14 8 8 ALA N N 126.776 0.02 1 15 10 10 GLY H H 8.234 0.01 1 16 10 10 GLY N N 111.75 0.02 1 17 11 11 ALA H H 8.174 0.01 1 18 11 11 ALA N N 121.23 0.02 1 19 13 13 LYS H H 8.045 0.01 1 20 13 13 LYS N N 120.941 0.02 1 21 16 16 GLN H H 6.923 0.01 1 22 16 16 GLN N N 117.635 0.02 1 23 17 17 ALA H H 7.952 0.01 1 24 17 17 ALA N N 122.544 0.02 1 25 18 18 GLN H H 7.605 0.01 1 26 18 18 GLN N N 114.929 0.02 1 27 19 19 PHE H H 6.898 0.01 1 28 19 19 PHE N N 118.699 0.02 1 29 20 20 ILE H H 7.86609 0.01 1 30 20 20 ILE N N 120.1884 0.02 1 31 21 21 MET H H 8.337 0.01 1 32 21 21 MET N N 118.25 0.02 1 33 22 22 GLU H H 7.776 0.01 1 34 22 22 GLU N N 117.385 0.02 1 35 23 23 LYS H H 8.198 0.01 1 36 23 23 LYS N N 120.453 0.02 1 37 24 24 TYR H H 7.619 0.01 1 38 24 24 TYR N N 112.401 0.02 1 39 25 25 GLY H H 7.642 0.01 1 40 25 25 GLY N N 111.57 0.02 1 41 28 28 GLN H H 8.211 0.01 1 42 28 28 GLN N N 119.014 0.02 1 43 29 29 ILE H H 9.292 0.01 1 44 29 29 ILE N N 127.068 0.02 1 45 31 31 THR H H 9.252 0.01 1 46 31 31 THR N N 118.159 0.02 1 47 32 32 GLY H H 8.63 0.01 1 48 32 32 GLY N N 110.039 0.02 1 49 33 33 ASP H H 7.387 0.01 1 50 33 33 ASP N N 121.516 0.02 1 51 34 34 MET H H 8.106 0.01 1 52 34 34 MET N N 120.488 0.02 1 53 35 35 LEU H H 8.355 0.01 1 54 35 35 LEU N N 121.436 0.02 1 55 36 36 ARG H H 7.616 0.01 1 56 36 36 ARG N N 117.764 0.02 1 57 37 37 ALA H H 7.954 0.01 1 58 37 37 ALA N N 120.201 0.02 1 59 38 38 ALA H H 8.052 0.01 1 60 38 38 ALA N N 122.123 0.02 1 61 39 39 VAL H H 7.997 0.01 1 62 39 39 VAL N N 116.846 0.02 1 63 40 40 LYS H H 7.597 0.01 1 64 40 40 LYS N N 119.226 0.02 1 65 41 41 SER H H 7.846 0.01 1 66 41 41 SER N N 113.638 0.02 1 67 42 42 GLY H H 7.828 0.01 1 68 42 42 GLY N N 109.828 0.02 1 69 43 43 SER H H 7.789 0.01 1 70 43 43 SER N N 115.47 0.02 1 71 44 44 GLU H H 8.893 0.01 1 72 44 44 GLU N N 122.773 0.02 1 73 45 45 LEU H H 8.416 0.01 1 74 45 45 LEU N N 119.322 0.02 1 75 46 46 GLY H H 8.048 0.01 1 76 46 46 GLY N N 108.027 0.02 1 77 47 47 LYS H H 8.305 0.01 1 78 47 47 LYS N N 122.317 0.02 1 79 48 48 GLN H H 7.528 0.01 1 80 48 48 GLN N N 118.767 0.02 1 81 49 49 ALA H H 8.267 0.01 1 82 49 49 ALA N N 120.727 0.02 1 83 50 50 LYS H H 8.376 0.01 1 84 50 50 LYS N N 119.67 0.02 1 85 51 51 ASP H H 7.914 0.01 1 86 51 51 ASP N N 118.436 0.02 1 87 52 52 ILE H H 7.489 0.01 1 88 52 52 ILE N N 120.99 0.02 1 89 53 53 MET H H 8.31 0.01 1 90 53 53 MET N N 119.399 0.02 1 91 54 54 ASP H H 9.202 0.01 1 92 54 54 ASP N N 122.193 0.02 1 93 55 55 ALA H H 7.233 0.01 1 94 55 55 ALA N N 119.829 0.02 1 95 56 56 GLY H H 7.963 0.01 1 96 56 56 GLY N N 107.754 0.02 1 97 57 57 LYS H H 7.464 0.01 1 98 57 57 LYS N N 119.393 0.02 1 99 58 58 LEU H H 7.833 0.01 1 100 58 58 LEU N N 119.383 0.02 1 101 59 59 VAL H H 8.242 0.01 1 102 59 59 VAL N N 121.607 0.02 1 103 60 60 THR H H 6.996 0.01 1 104 60 60 THR N N 116.677 0.02 1 105 61 61 ASP H H 8.867 0.01 1 106 61 61 ASP N N 121.927 0.02 1 107 62 62 GLU H H 8.683 0.01 1 108 62 62 GLU N N 117.227 0.02 1 109 63 63 LEU H H 7.394 0.01 1 110 63 63 LEU N N 122.493 0.02 1 111 65 65 ILE H H 8.304 0.01 1 112 65 65 ILE N N 118.939 0.02 1 113 66 66 ALA H H 7.508 0.01 1 114 66 66 ALA N N 122.555 0.02 1 115 67 67 LEU H H 8.208 0.01 1 116 67 67 LEU N N 119.97 0.02 1 117 68 68 VAL H H 8.465 0.01 1 118 68 68 VAL N N 123.166 0.02 1 119 69 69 LYS H H 8.295 0.01 1 120 69 69 LYS N N 118.674 0.02 1 121 70 70 GLU H H 7.417 0.01 1 122 70 70 GLU N N 117.249 0.02 1 123 72 72 ILE H H 8.16 0.01 1 124 72 72 ILE N N 110.687 0.02 1 125 73 73 ALA H H 6.996 0.01 1 126 73 73 ALA N N 122.441 0.02 1 127 74 74 GLN H H 7.198 0.01 1 128 74 74 GLN N N 116.821 0.02 1 129 75 75 GLU H H 8.93 0.01 1 130 75 75 GLU N N 122.268 0.02 1 131 76 76 ASP H H 8.431 0.01 1 132 76 76 ASP N N 117.14 0.02 1 133 77 77 CYS H H 7.67 0.01 1 134 77 77 CYS N N 118.147 0.02 1 135 78 78 ARG H H 7.629 0.01 1 136 78 78 ARG N N 122.642 0.02 1 137 79 79 ASN H H 8.851 0.01 1 138 79 79 ASN N N 115.263 0.02 1 139 80 80 GLY H H 7.641 0.01 1 140 80 80 GLY N N 108.932 0.02 1 141 81 81 PHE H H 7.36 0.01 1 142 81 81 PHE N N 108.489 0.02 1 143 82 82 LEU H H 8.795 0.01 1 144 82 82 LEU N N 122.421 0.02 1 145 83 83 LEU H H 9.439 0.01 1 146 83 83 LEU N N 127.988 0.02 1 147 85 85 GLY H H 8.92 0.01 1 148 85 85 GLY N N 113.197 0.02 1 149 86 86 PHE H H 7.306 0.01 1 150 86 86 PHE N N 120.09 0.02 1 151 88 88 ARG H H 8.567 0.01 1 152 88 88 ARG N N 114.589 0.02 1 153 89 89 THR H H 7.057 0.01 1 154 89 89 THR N N 107.069 0.02 1 155 90 90 ILE H H 8.965 0.01 1 156 90 90 ILE N N 121.538 0.02 1 157 92 92 GLN H H 7.214 0.01 1 158 92 92 GLN N N 116.538 0.02 1 159 93 93 ALA H H 7.684 0.01 1 160 93 93 ALA N N 124.933 0.02 1 161 94 94 ASP H H 8.745 0.01 1 162 94 94 ASP N N 119.556 0.02 1 163 95 95 ALA H H 8.033 0.01 1 164 95 95 ALA N N 123.057 0.02 1 165 97 97 LYS H H 7.519 0.01 1 166 97 97 LYS N N 120.818 0.02 1 167 98 98 GLU H H 8.407 0.01 1 168 98 98 GLU N N 121.412 0.02 1 169 99 99 ALA H H 7.464 0.01 1 170 99 99 ALA N N 113.192 0.02 1 171 100 100 GLY H H 7.805 0.01 1 172 100 100 GLY N N 106.634 0.02 1 173 101 101 ILE H H 8.025 0.01 1 174 101 101 ILE N N 121.996 0.02 1 175 102 102 ASN H H 7.844 0.01 1 176 102 102 ASN N N 123.557 0.02 1 177 103 103 VAL H H 8.321 0.01 1 178 103 103 VAL N N 113.202 0.02 1 179 105 105 TYR H H 7.557 0.01 1 180 105 105 TYR N N 114.361 0.02 1 181 106 106 VAL H H 8.932 0.01 1 182 106 106 VAL N N 123.49 0.02 1 183 107 107 LEU H H 8.853 0.01 1 184 107 107 LEU N N 124.491 0.02 1 185 108 108 GLU H H 8.758 0.01 1 186 108 108 GLU N N 124.598 0.02 1 187 109 109 PHE H H 9.21 0.01 1 188 109 109 PHE N N 130.821 0.02 1 189 110 110 ASP H H 8.663 0.01 1 190 110 110 ASP N N 128.822 0.02 1 191 111 111 VAL H H 7.305 0.01 1 192 111 111 VAL N N 126.089 0.02 1 193 113 113 ASP H H 8.797 0.01 1 194 113 113 ASP N N 124.033 0.02 1 195 114 114 GLU H H 8.972 0.01 1 196 114 114 GLU N N 114.652 0.02 1 197 115 115 LEU H H 7.069 0.01 1 198 115 115 LEU N N 118.747 0.02 1 199 116 116 ILE H H 7.358 0.01 1 200 116 116 ILE N N 121.495 0.02 1 201 117 117 VAL H H 8.232 0.01 1 202 117 117 VAL N N 117.4 0.02 1 203 120 120 ILE H H 7.937 0.01 1 204 120 120 ILE N N 119.231 0.02 1 205 121 121 VAL H H 8.88 0.01 1 206 121 121 VAL N N 114.988 0.02 1 207 122 122 GLY H H 7.362 0.01 1 208 122 122 GLY N N 106.278 0.02 1 209 123 123 ARG H H 7.615 0.01 1 210 123 123 ARG N N 120.678 0.02 1 211 124 124 ARG H H 8.793 0.01 1 212 124 124 ARG N N 125.604 0.02 1 213 126 126 HIS H H 9.119 0.01 1 214 126 126 HIS N N 126.825 0.02 1 215 127 127 ALA H H 9.001 0.01 1 216 127 127 ALA N N 129.664 0.02 1 217 129 129 SER H H 6.716 0.01 1 218 129 129 SER N N 107.47 0.02 1 219 130 130 GLY H H 8.538 0.01 1 220 130 130 GLY N N 113.118 0.02 1 221 131 131 ARG H H 8.395 0.01 1 222 131 131 ARG N N 122.199 0.02 1 223 132 132 VAL H H 7.851 0.01 1 224 132 132 VAL N N 120.012 0.02 1 225 133 133 TYR H H 9.163 0.01 1 226 133 133 TYR N N 124.438 0.02 1 227 134 134 HIS H H 8.336 0.01 1 228 134 134 HIS N N 120.886 0.02 1 229 135 135 VAL H H 8.138 0.01 1 230 135 135 VAL N N 120.877 0.02 1 231 136 136 LYS H H 9.468 0.01 1 232 136 136 LYS N N 119.985 0.02 1 233 137 137 PHE H H 8.072 0.01 1 234 137 137 PHE N N 116.828 0.02 1 235 138 138 ASN H H 8.566 0.01 1 236 138 138 ASN N N 114.309 0.02 1 237 141 141 LYS H H 10.034 0.01 1 238 141 141 LYS N N 124.213 0.02 1 239 142 142 VAL H H 8.772 0.01 1 240 142 142 VAL N N 120.721 0.02 1 241 143 143 GLU H H 8.073 0.01 1 242 143 143 GLU N N 125.583 0.02 1 243 144 144 GLY H H 8.829 0.01 1 244 144 144 GLY N N 111.783 0.02 1 245 145 145 LYS H H 7.911 0.01 1 246 145 145 LYS N N 119.329 0.02 1 247 146 146 ASP H H 8.973 0.01 1 248 146 146 ASP N N 119.917 0.02 1 249 147 147 ASP H H 7.813 0.01 1 250 147 147 ASP N N 127.121 0.02 1 251 148 148 VAL H H 6.27 0.01 1 252 148 148 VAL N N 114.974 0.02 1 253 149 149 THR H H 7.403 0.01 1 254 149 149 THR N N 105.487 0.02 1 255 150 150 GLY H H 7.789 0.01 1 256 150 150 GLY N N 111.135 0.02 1 257 152 152 GLU H H 8.62 0.01 1 258 152 152 GLU N N 119.616 0.02 1 259 153 153 LEU H H 7.841 0.01 1 260 153 153 LEU N N 120.947 0.02 1 261 154 154 THR H H 9.243 0.01 1 262 154 154 THR N N 114.317 0.02 1 263 155 155 THR H H 8.318 0.01 1 264 155 155 THR N N 115.97 0.02 1 265 156 156 ARG H H 9.743 0.01 1 266 156 156 ARG N N 127.435 0.02 1 267 158 158 ASP H H 8.305 0.01 1 268 158 158 ASP N N 114.53 0.02 1 269 159 159 ASP H H 7.366 0.01 1 270 159 159 ASP N N 116.403 0.02 1 271 160 160 GLN H H 6.96 0.01 1 272 160 160 GLN N N 117.375 0.02 1 273 161 161 GLU H H 9.135 0.01 1 274 161 161 GLU N N 124.53 0.02 1 275 162 162 GLU H H 9.185 0.01 1 276 162 162 GLU N N 116.474 0.02 1 277 163 163 THR H H 7.107 0.01 1 278 163 163 THR N N 116.339 0.02 1 279 164 164 VAL H H 8.171 0.01 1 280 164 164 VAL N N 123.056 0.02 1 281 165 165 ARG H H 8.701 0.01 1 282 165 165 ARG N N 116.784 0.02 1 283 166 166 LYS H H 7.671 0.01 1 284 166 166 LYS N N 120.142 0.02 1 285 167 167 ARG H H 7.967 0.01 1 286 167 167 ARG N N 118.57 0.02 1 287 168 168 LEU H H 8.034 0.01 1 288 168 168 LEU N N 121.432 0.02 1 289 171 171 TYR H H 8.09 0.01 1 290 171 171 TYR N N 120.118 0.02 1 291 172 172 HIS H H 8.774862 0.01 1 292 172 172 HIS N N 120.8278 0.02 1 293 173 173 GLN H H 8.465 0.01 1 294 173 173 GLN N N 118.869 0.02 1 295 174 174 MET H H 7.666 0.01 1 296 174 174 MET N N 115.455 0.02 1 297 175 175 THR H H 8.17 0.01 1 298 175 175 THR N N 113.617 0.02 1 299 176 176 ALA H H 8.412 0.01 1 300 176 176 ALA N N 126.097 0.02 1 301 178 178 LEU H H 6.835 0.01 1 302 178 178 LEU N N 119.165 0.02 1 303 179 179 ILE H H 8.392 0.01 1 304 179 179 ILE N N 121.058 0.02 1 305 180 180 GLY H H 7.818 0.01 1 306 180 180 GLY N N 107.652 0.02 1 307 181 181 TYR H H 7.865 0.01 1 308 181 181 TYR N N 123.729 0.02 1 309 182 182 TYR H H 8.851 0.01 1 310 182 182 TYR N N 118.802 0.02 1 311 184 184 LYS H H 7.359 0.01 1 312 184 184 LYS N N 123.515 0.02 1 313 185 185 GLU H H 7.937 0.01 1 314 185 185 GLU N N 120.898 0.02 1 315 186 186 ALA H H 8.3 0.01 1 316 186 186 ALA N N 122.847 0.02 1 317 187 187 GLU H H 7.896 0.01 1 318 187 187 GLU N N 122.05 0.02 1 319 188 188 ALA H H 7.413 0.01 1 320 188 188 ALA N N 118.725 0.02 1 321 189 189 GLY H H 7.743 0.01 1 322 189 189 GLY N N 105.257 0.02 1 323 190 190 ASN H H 8.094 0.01 1 324 190 190 ASN N N 117.219 0.02 1 325 191 191 THR H H 7.444 0.01 1 326 191 191 THR N N 113.723 0.02 1 327 192 192 LYS H H 7.777 0.01 1 328 192 192 LYS N N 122.555 0.02 1 329 193 193 TYR H H 8.222 0.01 1 330 193 193 TYR N N 123.728 0.02 1 331 194 194 ALA H H 8.177 0.01 1 332 194 194 ALA N N 130.04 0.02 1 333 195 195 LYS H H 8.256 0.01 1 334 195 195 LYS N N 122.623 0.02 1 335 196 196 VAL H H 9.027 0.01 1 336 196 196 VAL N N 125.122 0.02 1 337 197 197 ASP H H 8.667 0.01 1 338 197 197 ASP N N 124.534 0.02 1 339 198 198 GLY H H 8.333 0.01 1 340 198 198 GLY N N 112.048 0.02 1 341 199 199 THR H H 8.57 0.01 1 342 199 199 THR N N 111.7 0.02 1 343 200 200 LYS H H 6.512 0.01 1 344 200 200 LYS N N 121.646 0.02 1 345 202 202 VAL H H 8.387 0.01 1 346 202 202 VAL N N 123.506 0.02 1 347 203 203 ALA H H 8.772 0.01 1 348 203 203 ALA N N 119.535 0.02 1 349 204 204 GLU H H 7.338 0.01 1 350 204 204 GLU N N 117.821 0.02 1 351 205 205 VAL H H 7.786 0.01 1 352 205 205 VAL N N 121.105 0.02 1 353 206 206 ARG H H 7.878 0.01 1 354 206 206 ARG N N 118.556 0.02 1 355 207 207 ALA H H 7.164 0.01 1 356 207 207 ALA N N 120.424 0.02 1 357 208 208 ASP H H 8.198 0.01 1 358 208 208 ASP N N 121.313 0.02 1 359 209 209 LEU H H 8.459 0.01 1 360 209 209 LEU N N 120.585 0.02 1 361 210 210 GLU H H 8.398 0.01 1 362 210 210 GLU N N 118.98 0.02 1 363 211 211 LYS H H 7.596 0.01 1 364 211 211 LYS N N 118.829 0.02 1 365 212 212 ILE H H 7.522 0.01 1 366 212 212 ILE N N 119.314 0.02 1 367 213 213 LEU H H 8.052 0.01 1 368 213 213 LEU N N 117.136 0.02 1 369 214 214 GLY H H 7.557 0.01 1 370 214 214 GLY N N 112.523 0.02 1 stop_ save_