data_27718 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 15N-labeled oncogenic mutant KRas-G12V(1-169) in physiological pH ; _BMRB_accession_number 27718 _BMRB_flat_file_name bmr27718.str _Entry_type original _Submission_date 2018-12-05 _Accession_date 2018-12-05 _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 Palfy Gyula . . 2 Vida Istvan . . 3 Perczel Andras . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 164 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-07 update BMRB 'update entry citation' 2019-07-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27719 KRas-G12D(1-169)-GDP 27720 KRas-wt(1-169)-GDP stop_ _Original_release_date 2018-12-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N backbone assignment and comparative analysis of the wild type and G12C, G12D, G12V mutants of K-Ras bound to GDP at physiological pH ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31468366 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Palfy Gyula . . 2 Vida Istvan . . 3 Perczel Andras . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 14 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1 _Page_last 7 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KRas-G12V(1-169)-GDP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KRas-G12V(1-169) $KRas-G12V(1-169) Mg2+ $entity_Mg GDP $entity_GDP 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_KRas-G12V(1-169) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KRas-G12V(1-169) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; GHMTEYKLVVVGAVGVGKSA LTIQLIQNHFVDEYDPTIED SYRKQVVIDGETCLLDILDT AGQEEYSAMRDQYMRTGEGF LCVFAINNTKSFEDIHHYRE QIKRVKDSEDVPMVLVGNKC DLPSRTVDTKQAQDLARSYG IPFIETSAKTRQGVDDAFYT LVREIRKHKEK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 HIS 3 1 MET 4 2 THR 5 3 GLU 6 4 TYR 7 5 LYS 8 6 LEU 9 7 VAL 10 8 VAL 11 9 VAL 12 10 GLY 13 11 ALA 14 12 VAL 15 13 GLY 16 14 VAL 17 15 GLY 18 16 LYS 19 17 SER 20 18 ALA 21 19 LEU 22 20 THR 23 21 ILE 24 22 GLN 25 23 LEU 26 24 ILE 27 25 GLN 28 26 ASN 29 27 HIS 30 28 PHE 31 29 VAL 32 30 ASP 33 31 GLU 34 32 TYR 35 33 ASP 36 34 PRO 37 35 THR 38 36 ILE 39 37 GLU 40 38 ASP 41 39 SER 42 40 TYR 43 41 ARG 44 42 LYS 45 43 GLN 46 44 VAL 47 45 VAL 48 46 ILE 49 47 ASP 50 48 GLY 51 49 GLU 52 50 THR 53 51 CYS 54 52 LEU 55 53 LEU 56 54 ASP 57 55 ILE 58 56 LEU 59 57 ASP 60 58 THR 61 59 ALA 62 60 GLY 63 61 GLN 64 62 GLU 65 63 GLU 66 64 TYR 67 65 SER 68 66 ALA 69 67 MET 70 68 ARG 71 69 ASP 72 70 GLN 73 71 TYR 74 72 MET 75 73 ARG 76 74 THR 77 75 GLY 78 76 GLU 79 77 GLY 80 78 PHE 81 79 LEU 82 80 CYS 83 81 VAL 84 82 PHE 85 83 ALA 86 84 ILE 87 85 ASN 88 86 ASN 89 87 THR 90 88 LYS 91 89 SER 92 90 PHE 93 91 GLU 94 92 ASP 95 93 ILE 96 94 HIS 97 95 HIS 98 96 TYR 99 97 ARG 100 98 GLU 101 99 GLN 102 100 ILE 103 101 LYS 104 102 ARG 105 103 VAL 106 104 LYS 107 105 ASP 108 106 SER 109 107 GLU 110 108 ASP 111 109 VAL 112 110 PRO 113 111 MET 114 112 VAL 115 113 LEU 116 114 VAL 117 115 GLY 118 116 ASN 119 117 LYS 120 118 CYS 121 119 ASP 122 120 LEU 123 121 PRO 124 122 SER 125 123 ARG 126 124 THR 127 125 VAL 128 126 ASP 129 127 THR 130 128 LYS 131 129 GLN 132 130 ALA 133 131 GLN 134 132 ASP 135 133 LEU 136 134 ALA 137 135 ARG 138 136 SER 139 137 TYR 140 138 GLY 141 139 ILE 142 140 PRO 143 141 PHE 144 142 ILE 145 143 GLU 146 144 THR 147 145 SER 148 146 ALA 149 147 LYS 150 148 THR 151 149 ARG 152 150 GLN 153 151 GLY 154 152 VAL 155 153 ASP 156 154 ASP 157 155 ALA 158 156 PHE 159 157 TYR 160 158 THR 161 159 LEU 162 160 VAL 163 161 ARG 164 162 GLU 165 163 ILE 166 164 ARG 167 165 LYS 168 166 HIS 169 167 LYS 170 168 GLU 171 169 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'MAGNESIUM ION' _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_GDP _Saveframe_category ligand _Mol_type "non-polymer (RNA LINKING)" _Name_common GUANOSINE-5'-DIPHOSPHATE _BMRB_code GDP _PDB_code GDP _Molecular_mass 443.201 _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 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A 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 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' 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 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 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 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? 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 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? 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 _Details $KRas-G12V(1-169) Human 9606 Eukaryota Metazoa Homo sapiens 'G12V mutant in cancers' 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 $KRas-G12V(1-169) 'recombinant technology' . Escherichia coli . BL21(DE3) 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 $KRas-G12V(1-169) 0.5 mM '[U-100% 15N]' $entity_GDP 5 mM 'natural abundance' MgCl2 15 mM 'natural abundance' EDTA 10 mM 'natural abundance' 'sodium chloride' 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' Na2HPO4 10 mM 'natural abundance' KH2PO4 2 mM 'natural abundance' D2O 10 % '[U-100% 2H]' 'sodium azide' 3 mM 'natural abundance' DSS 1 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 700 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.4 . 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 internal direct . . . 1 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' '3D 1H-15N NOESY' 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 KRas-G12V(1-169) _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 1 3 MET H H 8.200 0.020 1 2 1 3 MET N N 122.749 0.3 1 3 2 4 THR H H 8.589 0.020 1 4 2 4 THR N N 122.853 0.3 1 5 3 5 GLU H H 8.346 0.020 1 6 3 5 GLU N N 126.896 0.3 1 7 4 6 TYR H H 8.765 0.020 1 8 4 6 TYR N N 121.802 0.3 1 9 5 7 LYS H H 9.178 0.020 1 10 5 7 LYS N N 124.811 0.3 1 11 6 8 LEU H H 9.599 0.020 1 12 6 8 LEU N N 126.946 0.3 1 13 7 9 VAL H H 7.889 0.020 1 14 7 9 VAL N N 120.184 0.3 1 15 8 10 VAL H H 8.993 0.020 1 16 8 10 VAL N N 129.057 0.3 1 17 9 11 VAL H H 9.213 0.020 1 18 9 11 VAL N N 120.786 0.3 1 19 10 12 GLY H H 7.146 0.020 1 20 10 12 GLY N N 107.659 0.3 1 21 11 13 ALA H H 9.199 0.020 1 22 11 13 ALA N N 124.044 0.3 1 23 12 14 VAL H H 8.400 0.020 1 24 12 14 VAL N N 120.492 0.3 1 25 13 15 GLY H H 10.792 0.020 1 26 13 15 GLY N N 117.384 0.3 1 27 14 16 VAL H H 7.738 0.020 1 28 14 16 VAL N N 113.619 0.3 1 29 15 17 GLY H H 8.564 0.020 1 30 15 17 GLY N N 109.572 0.3 1 31 16 18 LYS H H 10.628 0.020 1 32 16 18 LYS N N 125.436 0.3 1 33 17 19 SER H H 9.416 0.020 1 34 17 19 SER N N 120.859 0.3 1 35 18 20 ALA H H 9.461 0.020 1 36 18 20 ALA N N 125.284 0.3 1 37 19 21 LEU H H 9.063 0.020 1 38 19 21 LEU N N 120.543 0.3 1 39 20 22 THR H H 7.781 0.020 1 40 20 22 THR N N 117.028 0.3 1 41 21 23 ILE H H 8.897 0.020 1 42 21 23 ILE N N 120.849 0.3 1 43 22 24 GLN H H 7.877 0.020 1 44 22 24 GLN N N 120.955 0.3 1 45 23 25 LEU H H 7.673 0.020 1 46 23 25 LEU N N 120.749 0.3 1 47 24 26 ILE H H 8.055 0.020 1 48 24 26 ILE N N 114.190 0.3 1 49 25 27 GLN H H 9.038 0.020 1 50 25 27 GLN N N 116.244 0.3 1 51 26 28 ASN H H 8.005 0.020 1 52 26 28 ASN N N 116.149 0.3 1 53 27 29 HIS H H 6.785 0.020 1 54 27 29 HIS N N 111.820 0.3 1 55 28 30 PHE H H 8.480 0.020 1 56 28 30 PHE N N 122.023 0.3 1 57 29 31 VAL H H 7.801 0.020 1 58 29 31 VAL N N 126.303 0.3 1 59 30 32 ASP H H 7.816 0.020 1 60 30 32 ASP N N 122.305 0.3 1 61 31 33 GLU H H 7.680 0.020 1 62 31 33 GLU N N 119.445 0.3 1 63 32 34 TYR H H 8.865 0.020 1 64 32 34 TYR N N 126.261 0.3 1 65 33 35 ASP H H 7.920 0.020 1 66 33 35 ASP N N 129.185 0.3 1 67 35 37 THR H H 9.100 0.020 1 68 35 37 THR N N 109.516 0.3 1 69 36 38 ILE H H 6.786 0.020 1 70 36 38 ILE N N 120.830 0.3 1 71 37 39 GLU H H 8.483 0.020 1 72 37 39 GLU N N 132.964 0.3 1 73 38 40 ASP H H 8.196 0.020 1 74 38 40 ASP N N 125.023 0.3 1 75 39 41 SER H H 8.488 0.020 1 76 39 41 SER N N 114.168 0.3 1 77 40 42 TYR H H 9.136 0.020 1 78 40 42 TYR N N 121.115 0.3 1 79 41 43 ARG H H 8.431 0.020 1 80 41 43 ARG N N 120.140 0.3 1 81 42 44 LYS H H 8.631 0.020 1 82 42 44 LYS N N 121.854 0.3 1 83 43 45 GLN H H 8.857 0.020 1 84 43 45 GLN N N 129.037 0.3 1 85 44 46 VAL H H 9.106 0.020 1 86 44 46 VAL N N 121.787 0.3 1 87 45 47 VAL H H 8.141 0.020 1 88 45 47 VAL N N 122.253 0.3 1 89 46 48 ILE H H 8.311 0.020 1 90 46 48 ILE N N 125.856 0.3 1 91 47 49 ASP H H 9.542 0.020 1 92 47 49 ASP N N 130.430 0.3 1 93 48 50 GLY H H 8.304 0.020 1 94 48 50 GLY N N 103.458 0.3 1 95 49 51 GLU H H 7.701 0.020 1 96 49 51 GLU N N 122.671 0.3 1 97 50 52 THR H H 9.038 0.020 1 98 50 52 THR N N 125.842 0.3 1 99 51 53 CYS H H 9.391 0.020 1 100 51 53 CYS N N 124.977 0.3 1 101 52 54 LEU H H 8.817 0.020 1 102 52 54 LEU N N 122.802 0.3 1 103 53 55 LEU H H 9.094 0.020 1 104 53 55 LEU N N 123.902 0.3 1 105 54 56 ASP H H 8.714 0.020 1 106 54 56 ASP N N 125.703 0.3 1 107 55 57 ILE H H 9.221 0.020 1 108 55 57 ILE N N 123.891 0.3 1 109 56 58 LEU H H 8.690 0.020 1 110 56 58 LEU N N 127.338 0.3 1 111 57 59 ASP H H 8.499 0.020 1 112 57 59 ASP N N 129.363 0.3 1 113 58 60 THR H H 6.693 0.020 1 114 58 60 THR N N 109.615 0.3 1 115 59 61 ALA H H 9.174 0.020 1 116 59 61 ALA N N 121.951 0.3 1 117 60 62 GLY H H 8.528 0.020 1 118 60 62 GLY N N 107.836 0.3 1 119 61 63 GLN H H 8.620 0.020 1 120 61 63 GLN N N 119.132 0.3 1 121 62 64 GLU H H 8.770 0.020 1 122 62 64 GLU N N 120.702 0.3 1 123 63 65 GLU H H 8.302 0.020 1 124 63 65 GLU N N 120.167 0.3 1 125 64 66 TYR H H 8.325 0.020 1 126 64 66 TYR N N 121.310 0.3 1 127 65 67 SER H H 7.893 0.020 1 128 65 67 SER N N 120.169 0.3 1 129 66 68 ALA H H 8.817 0.020 1 130 66 68 ALA N N 129.313 0.3 1 131 67 69 MET H H 8.317 0.020 1 132 67 69 MET N N 117.914 0.3 1 133 68 70 ARG H H 7.933 0.020 1 134 68 70 ARG N N 121.047 0.3 1 135 69 71 ASP H H 8.152 0.020 1 136 69 71 ASP N N 118.608 0.3 1 137 70 72 GLN H H 7.871 0.020 1 138 70 72 GLN N N 117.580 0.3 1 139 71 73 TYR H H 8.293 0.020 1 140 71 73 TYR N N 120.098 0.3 1 141 72 74 MET H H 8.615 0.020 1 142 72 74 MET N N 119.158 0.3 1 143 73 75 ARG H H 7.966 0.020 1 144 73 75 ARG N N 115.544 0.3 1 145 74 76 THR H H 7.966 0.020 1 146 74 76 THR N N 107.861 0.3 1 147 75 77 GLY H H 8.044 0.020 1 148 75 77 GLY N N 111.622 0.3 1 149 76 78 GLU H H 8.940 0.020 1 150 76 78 GLU N N 122.069 0.3 1 151 77 79 GLY H H 7.202 0.020 1 152 77 79 GLY N N 100.869 0.3 1 153 78 80 PHE H H 8.177 0.020 1 154 78 80 PHE N N 121.345 0.3 1 155 79 81 LEU H H 9.230 0.020 1 156 79 81 LEU N N 126.760 0.3 1 157 80 82 CYS H H 8.753 0.020 1 158 80 82 CYS N N 124.689 0.3 1 159 81 83 VAL H H 8.998 0.020 1 160 81 83 VAL N N 126.111 0.3 1 161 82 84 PHE H H 9.319 0.020 1 162 82 84 PHE N N 123.771 0.3 1 163 83 85 ALA H H 8.794 0.020 1 164 83 85 ALA N N 121.567 0.3 1 165 84 86 ILE H H 8.507 0.020 1 166 84 86 ILE N N 113.597 0.3 1 167 85 87 ASN H H 7.920 0.020 1 168 85 87 ASN N N 117.068 0.3 1 169 86 88 ASN H H 7.902 0.020 1 170 86 88 ASN N N 119.369 0.3 1 171 88 90 LYS H H 8.478 0.020 1 172 88 90 LYS N N 124.197 0.3 1 173 89 91 SER H H 8.124 0.020 1 174 89 91 SER N N 114.449 0.3 1 175 90 92 PHE H H 7.443 0.020 1 176 90 92 PHE N N 124.691 0.3 1 177 91 93 GLU H H 8.469 0.020 1 178 91 93 GLU N N 121.962 0.3 1 179 92 94 ASP H H 8.523 0.020 1 180 92 94 ASP N N 117.077 0.3 1 181 93 95 ILE H H 7.623 0.020 1 182 93 95 ILE N N 120.604 0.3 1 183 94 96 HIS H H 7.661 0.020 1 184 94 96 HIS N N 117.062 0.3 1 185 95 97 HIS H H 7.230 0.020 1 186 95 97 HIS N N 117.291 0.3 1 187 96 98 TYR H H 7.691 0.020 1 188 96 98 TYR N N 118.748 0.3 1 189 97 99 ARG H H 8.558 0.020 1 190 97 99 ARG N N 118.942 0.3 1 191 98 100 GLU H H 7.982 0.020 1 192 98 100 GLU N N 117.754 0.3 1 193 99 101 GLN H H 7.817 0.020 1 194 99 101 GLN N N 119.362 0.3 1 195 100 102 ILE H H 7.780 0.020 1 196 100 102 ILE N N 120.056 0.3 1 197 101 103 LYS H H 7.872 0.020 1 198 101 103 LYS N N 117.581 0.3 1 199 102 104 ARG H H 7.781 0.020 1 200 102 104 ARG N N 117.561 0.3 1 201 103 105 VAL H H 8.027 0.020 1 202 103 105 VAL N N 118.321 0.3 1 203 104 106 LYS H H 8.017 0.020 1 204 104 106 LYS N N 116.781 0.3 1 205 105 107 ASP H H 8.007 0.020 1 206 105 107 ASP N N 120.869 0.3 1 207 106 108 SER H H 7.586 0.020 1 208 106 108 SER N N 109.253 0.3 1 209 107 109 GLU H H 8.410 0.020 1 210 107 109 GLU N N 121.078 0.3 1 211 108 110 ASP H H 8.415 0.020 1 212 108 110 ASP N N 121.085 0.3 1 213 109 111 VAL H H 7.588 0.020 1 214 109 111 VAL N N 121.807 0.3 1 215 111 113 MET H H 8.193 0.020 1 216 111 113 MET N N 122.822 0.3 1 217 112 114 VAL H H 8.043 0.020 1 218 112 114 VAL N N 118.049 0.3 1 219 113 115 LEU H H 8.969 0.020 1 220 113 115 LEU N N 128.938 0.3 1 221 114 116 VAL H H 9.236 0.020 1 222 114 116 VAL N N 128.233 0.3 1 223 115 117 GLY H H 8.243 0.020 1 224 115 117 GLY N N 113.533 0.3 1 225 116 118 ASN H H 8.831 0.020 1 226 116 118 ASN N N 121.520 0.3 1 227 117 119 LYS H H 7.352 0.020 1 228 117 119 LYS N N 112.285 0.3 1 229 118 120 CYS H H 8.708 0.020 1 230 118 120 CYS N N 114.116 0.3 1 231 119 121 ASP H H 8.629 0.020 1 232 119 121 ASP N N 117.001 0.3 1 233 120 122 LEU H H 7.825 0.020 1 234 120 122 LEU N N 121.657 0.3 1 235 122 124 SER H H 7.282 0.020 1 236 122 124 SER N N 113.267 0.3 1 237 123 125 ARG H H 7.882 0.020 1 238 123 125 ARG N N 120.167 0.3 1 239 124 126 THR H H 9.063 0.020 1 240 124 126 THR N N 114.261 0.3 1 241 125 127 VAL H H 7.590 0.020 1 242 125 127 VAL N N 124.291 0.3 1 243 126 128 ASP H H 8.611 0.020 1 244 126 128 ASP N N 128.390 0.3 1 245 127 129 THR H H 8.755 0.020 1 246 127 129 THR N N 121.416 0.3 1 247 128 130 LYS H H 8.405 0.020 1 248 128 130 LYS N N 120.428 0.3 1 249 129 131 GLN H H 7.357 0.020 1 250 129 131 GLN N N 117.599 0.3 1 251 130 132 ALA H H 7.125 0.020 1 252 130 132 ALA N N 122.434 0.3 1 253 131 133 GLN H H 8.463 0.020 1 254 131 133 GLN N N 117.889 0.3 1 255 132 134 ASP H H 8.545 0.020 1 256 132 134 ASP N N 120.437 0.3 1 257 133 135 LEU H H 7.541 0.020 1 258 133 135 LEU N N 123.600 0.3 1 259 134 136 ALA H H 8.278 0.020 1 260 134 136 ALA N N 121.645 0.3 1 261 135 137 ARG H H 8.507 0.020 1 262 135 137 ARG N N 118.339 0.3 1 263 136 138 SER H H 7.957 0.020 1 264 136 138 SER N N 117.758 0.3 1 265 137 139 TYR H H 7.620 0.020 1 266 137 139 TYR N N 119.850 0.3 1 267 138 140 GLY H H 8.317 0.020 1 268 138 140 GLY N N 111.011 0.3 1 269 139 141 ILE H H 8.060 0.020 1 270 139 141 ILE N N 112.970 0.3 1 271 141 143 PHE H H 8.304 0.020 1 272 141 143 PHE N N 120.191 0.3 1 273 142 144 ILE H H 8.421 0.020 1 274 142 144 ILE N N 129.982 0.3 1 275 143 145 GLU H H 7.805 0.020 1 276 143 145 GLU N N 125.115 0.3 1 277 144 146 THR H H 8.786 0.020 1 278 144 146 THR N N 112.094 0.3 1 279 145 147 SER H H 8.815 0.020 1 280 145 147 SER N N 112.574 0.3 1 281 146 148 ALA H H 9.165 0.020 1 282 146 148 ALA N N 132.463 0.3 1 283 147 149 LYS H H 7.017 0.020 1 284 147 149 LYS N N 116.203 0.3 1 285 148 150 THR H H 7.712 0.020 1 286 148 150 THR N N 106.414 0.3 1 287 149 151 ARG H H 7.818 0.020 1 288 149 151 ARG N N 119.624 0.3 1 289 150 152 GLN H H 7.824 0.020 1 290 150 152 GLN N N 124.301 0.3 1 291 151 153 GLY H H 8.934 0.020 1 292 151 153 GLY N N 115.401 0.3 1 293 152 154 VAL H H 7.043 0.020 1 294 152 154 VAL N N 120.620 0.3 1 295 153 155 ASP H H 7.949 0.020 1 296 153 155 ASP N N 117.092 0.3 1 297 154 156 ASP H H 8.051 0.020 1 298 154 156 ASP N N 116.305 0.3 1 299 155 157 ALA H H 8.637 0.020 1 300 155 157 ALA N N 124.889 0.3 1 301 156 158 PHE H H 7.222 0.020 1 302 156 158 PHE N N 112.974 0.3 1 303 157 159 TYR H H 9.606 0.020 1 304 157 159 TYR N N 119.648 0.3 1 305 158 160 THR H H 8.628 0.020 1 306 158 160 THR N N 116.522 0.3 1 307 159 161 LEU H H 7.290 0.020 1 308 159 161 LEU N N 121.900 0.3 1 309 160 162 VAL H H 7.683 0.020 1 310 160 162 VAL N N 119.344 0.3 1 311 161 163 ARG H H 8.207 0.020 1 312 161 163 ARG N N 119.060 0.3 1 313 162 164 GLU H H 8.327 0.020 1 314 162 164 GLU N N 119.641 0.3 1 315 163 165 ILE H H 8.356 0.020 1 316 163 165 ILE N N 123.033 0.3 1 317 164 166 ARG H H 8.592 0.020 1 318 164 166 ARG N N 119.275 0.3 1 319 165 167 LYS H H 7.786 0.020 1 320 165 167 LYS N N 117.303 0.3 1 321 166 168 HIS H H 7.837 0.020 1 322 166 168 HIS N N 118.620 0.3 1 323 167 169 LYS H H 8.054 0.020 1 324 167 169 LYS N N 118.630 0.3 1 325 168 170 GLU H H 7.857 0.020 1 326 168 170 GLU N N 119.674 0.3 1 327 169 171 LYS H H 7.586 0.020 1 328 169 171 LYS N N 126.566 0.3 1 stop_ save_