################################### # 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_R119A_ATP _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_R119A_ATP _Assigned_chem_shift_list.Entry_ID 27008 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27008 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRPipe . . 27008 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG H H 1 9.645 0.01 . 1 . . . . . 2 ARG H . 27008 1 2 . 1 1 2 2 ARG N N 15 126.934 0.02 . 1 . . . . . 2 ARG N . 27008 1 3 . 1 1 4 4 ILE H H 1 8.619 0.01 . 1 . . . . . 4 ILE H . 27008 1 4 . 1 1 4 4 ILE N N 15 126.295 0.02 . 1 . . . . . 4 ILE N . 27008 1 5 . 1 1 5 5 LEU H H 1 8.31 0.01 . 1 . . . . . 5 LEU H . 27008 1 6 . 1 1 5 5 LEU N N 15 128.589 0.02 . 1 . . . . . 5 LEU N . 27008 1 7 . 1 1 6 6 LEU H H 1 9.322 0.01 . 1 . . . . . 6 LEU H . 27008 1 8 . 1 1 6 6 LEU N N 15 128.234 0.02 . 1 . . . . . 6 LEU N . 27008 1 9 . 1 1 7 7 GLY H H 1 8.174 0.01 . 1 . . . . . 7 GLY H . 27008 1 10 . 1 1 7 7 GLY N N 15 108.404 0.02 . 1 . . . . . 7 GLY N . 27008 1 11 . 1 1 10 10 GLY H H 1 8.706 0.01 . 1 . . . . . 10 GLY H . 27008 1 12 . 1 1 10 10 GLY N N 15 111.116 0.02 . 1 . . . . . 10 GLY N . 27008 1 13 . 1 1 18 18 GLN H H 1 7.747 0.01 . 1 . . . . . 18 GLN H . 27008 1 14 . 1 1 18 18 GLN N N 15 115.209 0.02 . 1 . . . . . 18 GLN N . 27008 1 15 . 1 1 21 21 MET H H 1 8.286 0.01 . 1 . . . . . 21 MET H . 27008 1 16 . 1 1 21 21 MET N N 15 118.564 0.02 . 1 . . . . . 21 MET N . 27008 1 17 . 1 1 22 22 GLU H H 1 7.829 0.01 . 1 . . . . . 22 GLU H . 27008 1 18 . 1 1 22 22 GLU N N 15 117.917 0.02 . 1 . . . . . 22 GLU N . 27008 1 19 . 1 1 24 24 TYR H H 1 7.654 0.01 . 1 . . . . . 24 TYR H . 27008 1 20 . 1 1 24 24 TYR N N 15 112.456 0.02 . 1 . . . . . 24 TYR N . 27008 1 21 . 1 1 25 25 GLY H H 1 7.672 0.01 . 1 . . . . . 25 GLY H . 27008 1 22 . 1 1 25 25 GLY N N 15 111.199 0.02 . 1 . . . . . 25 GLY N . 27008 1 23 . 1 1 29 29 ILE H H 1 9.48 0.01 . 1 . . . . . 29 ILE H . 27008 1 24 . 1 1 29 29 ILE N N 15 129.618 0.02 . 1 . . . . . 29 ILE N . 27008 1 25 . 1 1 31 31 THR H H 1 9.237 0.01 . 1 . . . . . 31 THR H . 27008 1 26 . 1 1 31 31 THR N N 15 118.094 0.02 . 1 . . . . . 31 THR N . 27008 1 27 . 1 1 32 32 GLY H H 1 9.51 0.01 . 1 . . . . . 32 GLY H . 27008 1 28 . 1 1 32 32 GLY N N 15 111.137 0.02 . 1 . . . . . 32 GLY N . 27008 1 29 . 1 1 33 33 ASP H H 1 7.722 0.01 . 1 . . . . . 33 ASP H . 27008 1 30 . 1 1 33 33 ASP N N 15 121.724 0.02 . 1 . . . . . 33 ASP N . 27008 1 31 . 1 1 36 36 ARG H H 1 8.157 0.01 . 1 . . . . . 36 ARG H . 27008 1 32 . 1 1 36 36 ARG N N 15 118.454 0.02 . 1 . . . . . 36 ARG N . 27008 1 33 . 1 1 40 40 LYS H H 1 7.771 0.01 . 1 . . . . . 40 LYS H . 27008 1 34 . 1 1 40 40 LYS N N 15 119.84 0.02 . 1 . . . . . 40 LYS N . 27008 1 35 . 1 1 41 41 SER H H 1 7.877 0.01 . 1 . . . . . 41 SER H . 27008 1 36 . 1 1 41 41 SER N N 15 113.147 0.02 . 1 . . . . . 41 SER N . 27008 1 37 . 1 1 42 42 GLY H H 1 7.722 0.01 . 1 . . . . . 42 GLY H . 27008 1 38 . 1 1 42 42 GLY N N 15 109.702 0.02 . 1 . . . . . 42 GLY N . 27008 1 39 . 1 1 43 43 SER H H 1 7.684 0.01 . 1 . . . . . 43 SER H . 27008 1 40 . 1 1 43 43 SER N N 15 114.875 0.02 . 1 . . . . . 43 SER N . 27008 1 41 . 1 1 44 44 GLU H H 1 8.892 0.01 . 1 . . . . . 44 GLU H . 27008 1 42 . 1 1 44 44 GLU N N 15 122.06 0.02 . 1 . . . . . 44 GLU N . 27008 1 43 . 1 1 46 46 GLY H H 1 7.954 0.01 . 1 . . . . . 46 GLY H . 27008 1 44 . 1 1 46 46 GLY N N 15 107.568 0.02 . 1 . . . . . 46 GLY N . 27008 1 45 . 1 1 47 47 LYS H H 1 8.278 0.01 . 1 . . . . . 47 LYS H . 27008 1 46 . 1 1 47 47 LYS N N 15 121.65 0.02 . 1 . . . . . 47 LYS N . 27008 1 47 . 1 1 54 54 ASP H H 1 8.886 0.01 . 1 . . . . . 54 ASP H . 27008 1 48 . 1 1 54 54 ASP N N 15 121.323 0.02 . 1 . . . . . 54 ASP N . 27008 1 49 . 1 1 55 55 ALA H H 1 7.208 0.01 . 1 . . . . . 55 ALA H . 27008 1 50 . 1 1 55 55 ALA N N 15 120.085 0.02 . 1 . . . . . 55 ALA N . 27008 1 51 . 1 1 56 56 GLY H H 1 7.998 0.01 . 1 . . . . . 56 GLY H . 27008 1 52 . 1 1 56 56 GLY N N 15 107.668 0.02 . 1 . . . . . 56 GLY N . 27008 1 53 . 1 1 57 57 LYS H H 1 7.248 0.01 . 1 . . . . . 57 LYS H . 27008 1 54 . 1 1 57 57 LYS N N 15 118.889 0.02 . 1 . . . . . 57 LYS N . 27008 1 55 . 1 1 58 58 LEU H H 1 8.159 0.01 . 1 . . . . . 58 LEU H . 27008 1 56 . 1 1 58 58 LEU N N 15 119.706 0.02 . 1 . . . . . 58 LEU N . 27008 1 57 . 1 1 60 60 THR H H 1 6.849 0.01 . 1 . . . . . 60 THR H . 27008 1 58 . 1 1 60 60 THR N N 15 117.162 0.02 . 1 . . . . . 60 THR N . 27008 1 59 . 1 1 61 61 ASP H H 1 8.882 0.01 . 1 . . . . . 61 ASP H . 27008 1 60 . 1 1 61 61 ASP N N 15 124.806 0.02 . 1 . . . . . 61 ASP N . 27008 1 61 . 1 1 62 62 GLU H H 1 9.033 0.01 . 1 . . . . . 62 GLU H . 27008 1 62 . 1 1 62 62 GLU N N 15 116.472 0.02 . 1 . . . . . 62 GLU N . 27008 1 63 . 1 1 63 63 LEU H H 1 7.318 0.01 . 1 . . . . . 63 LEU H . 27008 1 64 . 1 1 63 63 LEU N N 15 120.669 0.02 . 1 . . . . . 63 LEU N . 27008 1 65 . 1 1 66 66 ALA H H 1 7.257 0.01 . 1 . . . . . 66 ALA H . 27008 1 66 . 1 1 66 66 ALA N N 15 120.98 0.02 . 1 . . . . . 66 ALA N . 27008 1 67 . 1 1 70 70 GLU H H 1 7.329 0.01 . 1 . . . . . 70 GLU H . 27008 1 68 . 1 1 70 70 GLU N N 15 116.794 0.02 . 1 . . . . . 70 GLU N . 27008 1 69 . 1 1 72 72 ILE H H 1 8.099 0.01 . 1 . . . . . 72 ILE H . 27008 1 70 . 1 1 72 72 ILE N N 15 111.345 0.02 . 1 . . . . . 72 ILE N . 27008 1 71 . 1 1 73 73 ALA H H 1 6.872 0.01 . 1 . . . . . 73 ALA H . 27008 1 72 . 1 1 73 73 ALA N N 15 121.65 0.02 . 1 . . . . . 73 ALA N . 27008 1 73 . 1 1 74 74 GLN H H 1 7.173 0.01 . 1 . . . . . 74 GLN H . 27008 1 74 . 1 1 74 74 GLN N N 15 116.589 0.02 . 1 . . . . . 74 GLN N . 27008 1 75 . 1 1 75 75 GLU H H 1 8.754 0.01 . 1 . . . . . 75 GLU H . 27008 1 76 . 1 1 75 75 GLU N N 15 121.783 0.02 . 1 . . . . . 75 GLU N . 27008 1 77 . 1 1 76 76 ASP H H 1 8.411 0.01 . 1 . . . . . 76 ASP H . 27008 1 78 . 1 1 76 76 ASP N N 15 117.282 0.02 . 1 . . . . . 76 ASP N . 27008 1 79 . 1 1 77 77 CYS H H 1 7.63 0.01 . 1 . . . . . 77 CYS H . 27008 1 80 . 1 1 77 77 CYS N N 15 117.936 0.02 . 1 . . . . . 77 CYS N . 27008 1 81 . 1 1 78 78 ARG H H 1 7.645 0.01 . 1 . . . . . 78 ARG H . 27008 1 82 . 1 1 78 78 ARG N N 15 122.284 0.02 . 1 . . . . . 78 ARG N . 27008 1 83 . 1 1 80 80 GLY H H 1 7.483 0.01 . 1 . . . . . 80 GLY H . 27008 1 84 . 1 1 80 80 GLY N N 15 108.061 0.02 . 1 . . . . . 80 GLY N . 27008 1 85 . 1 1 81 81 PHE H H 1 7.437 0.01 . 1 . . . . . 81 PHE H . 27008 1 86 . 1 1 81 81 PHE N N 15 108.967 0.02 . 1 . . . . . 81 PHE N . 27008 1 87 . 1 1 82 82 LEU H H 1 8.774 0.01 . 1 . . . . . 82 LEU H . 27008 1 88 . 1 1 82 82 LEU N N 15 122.484 0.02 . 1 . . . . . 82 LEU N . 27008 1 89 . 1 1 83 83 LEU H H 1 9.565 0.01 . 1 . . . . . 83 LEU H . 27008 1 90 . 1 1 83 83 LEU N N 15 128.41 0.02 . 1 . . . . . 83 LEU N . 27008 1 91 . 1 1 85 85 GLY H H 1 8.754 0.01 . 1 . . . . . 85 GLY H . 27008 1 92 . 1 1 85 85 GLY N N 15 111.863 0.02 . 1 . . . . . 85 GLY N . 27008 1 93 . 1 1 86 86 PHE H H 1 7.356 0.01 . 1 . . . . . 86 PHE H . 27008 1 94 . 1 1 86 86 PHE N N 15 119.491 0.02 . 1 . . . . . 86 PHE N . 27008 1 95 . 1 1 89 89 THR H H 1 6.862 0.01 . 1 . . . . . 89 THR H . 27008 1 96 . 1 1 89 89 THR N N 15 105.978 0.02 . 1 . . . . . 89 THR N . 27008 1 97 . 1 1 90 90 ILE H H 1 9.232 0.01 . 1 . . . . . 90 ILE H . 27008 1 98 . 1 1 90 90 ILE N N 15 122.504 0.02 . 1 . . . . . 90 ILE N . 27008 1 99 . 1 1 92 92 GLN H H 1 7.15 0.01 . 1 . . . . . 92 GLN H . 27008 1 100 . 1 1 92 92 GLN N N 15 115.944 0.02 . 1 . . . . . 92 GLN N . 27008 1 101 . 1 1 93 93 ALA H H 1 7.469 0.01 . 1 . . . . . 93 ALA H . 27008 1 102 . 1 1 93 93 ALA N N 15 124.072 0.02 . 1 . . . . . 93 ALA N . 27008 1 103 . 1 1 95 95 ALA H H 1 7.946 0.01 . 1 . . . . . 95 ALA H . 27008 1 104 . 1 1 95 95 ALA N N 15 122.285 0.02 . 1 . . . . . 95 ALA N . 27008 1 105 . 1 1 97 97 LYS H H 1 7.442 0.01 . 1 . . . . . 97 LYS H . 27008 1 106 . 1 1 97 97 LYS N N 15 120.838 0.02 . 1 . . . . . 97 LYS N . 27008 1 107 . 1 1 99 99 ALA H H 1 7.439 0.01 . 1 . . . . . 99 ALA H . 27008 1 108 . 1 1 99 99 ALA N N 15 113.01 0.02 . 1 . . . . . 99 ALA N . 27008 1 109 . 1 1 100 100 GLY H H 1 7.822 0.01 . 1 . . . . . 100 GLY H . 27008 1 110 . 1 1 100 100 GLY N N 15 107.334 0.02 . 1 . . . . . 100 GLY N . 27008 1 111 . 1 1 102 102 ASN H H 1 7.907 0.01 . 1 . . . . . 102 ASN H . 27008 1 112 . 1 1 102 102 ASN N N 15 124.173 0.02 . 1 . . . . . 102 ASN N . 27008 1 113 . 1 1 103 103 VAL H H 1 8.531 0.01 . 1 . . . . . 103 VAL H . 27008 1 114 . 1 1 103 103 VAL N N 15 114.643 0.02 . 1 . . . . . 103 VAL N . 27008 1 115 . 1 1 106 106 VAL H H 1 8.888 0.01 . 1 . . . . . 106 VAL H . 27008 1 116 . 1 1 106 106 VAL N N 15 123.449 0.02 . 1 . . . . . 106 VAL N . 27008 1 117 . 1 1 107 107 LEU H H 1 8.859 0.01 . 1 . . . . . 107 LEU H . 27008 1 118 . 1 1 107 107 LEU N N 15 124.791 0.02 . 1 . . . . . 107 LEU N . 27008 1 119 . 1 1 108 108 GLU H H 1 8.697 0.01 . 1 . . . . . 108 GLU H . 27008 1 120 . 1 1 108 108 GLU N N 15 124.812 0.02 . 1 . . . . . 108 GLU N . 27008 1 121 . 1 1 109 109 PHE H H 1 9.232758 0.01 . 1 . . . . . 109 PHE H . 27008 1 122 . 1 1 109 109 PHE N N 15 130.7064 0.02 . 1 . . . . . 109 PHE N . 27008 1 123 . 1 1 110 110 ASP H H 1 8.678 0.01 . 1 . . . . . 110 ASP H . 27008 1 124 . 1 1 110 110 ASP N N 15 128.325 0.02 . 1 . . . . . 110 ASP N . 27008 1 125 . 1 1 111 111 VAL H H 1 7.372 0.01 . 1 . . . . . 111 VAL H . 27008 1 126 . 1 1 111 111 VAL N N 15 126.174 0.02 . 1 . . . . . 111 VAL N . 27008 1 127 . 1 1 113 113 ASP H H 1 8.731 0.01 . 1 . . . . . 113 ASP H . 27008 1 128 . 1 1 113 113 ASP N N 15 123.586 0.02 . 1 . . . . . 113 ASP N . 27008 1 129 . 1 1 114 114 GLU H H 1 8.972 0.01 . 1 . . . . . 114 GLU H . 27008 1 130 . 1 1 114 114 GLU N N 15 114.611 0.02 . 1 . . . . . 114 GLU N . 27008 1 131 . 1 1 121 121 VAL H H 1 8.594 0.01 . 1 . . . . . 121 VAL H . 27008 1 132 . 1 1 121 121 VAL N N 15 115.186 0.02 . 1 . . . . . 121 VAL N . 27008 1 133 . 1 1 122 122 GLY H H 1 7.235 0.01 . 1 . . . . . 122 GLY H . 27008 1 134 . 1 1 122 122 GLY N N 15 105.34 0.02 . 1 . . . . . 122 GLY N . 27008 1 135 . 1 1 123 123 ARG H H 1 7.594 0.01 . 1 . . . . . 123 ARG H . 27008 1 136 . 1 1 123 123 ARG N N 15 120.637 0.02 . 1 . . . . . 123 ARG N . 27008 1 137 . 1 1 124 124 ARG H H 1 8.778 0.01 . 1 . . . . . 124 ARG H . 27008 1 138 . 1 1 124 124 ARG N N 15 125.341 0.02 . 1 . . . . . 124 ARG N . 27008 1 139 . 1 1 127 127 ALA H H 1 8.998 0.01 . 1 . . . . . 127 ALA H . 27008 1 140 . 1 1 127 127 ALA N N 15 129.596 0.02 . 1 . . . . . 127 ALA N . 27008 1 141 . 1 1 129 129 SER H H 1 6.728 0.01 . 1 . . . . . 129 SER H . 27008 1 142 . 1 1 129 129 SER N N 15 107.464 0.02 . 1 . . . . . 129 SER N . 27008 1 143 . 1 1 130 130 GLY H H 1 8.531 0.01 . 1 . . . . . 130 GLY H . 27008 1 144 . 1 1 130 130 GLY N N 15 113.182 0.02 . 1 . . . . . 130 GLY N . 27008 1 145 . 1 1 131 131 ARG H H 1 8.383 0.01 . 1 . . . . . 131 ARG H . 27008 1 146 . 1 1 131 131 ARG N N 15 122.16 0.02 . 1 . . . . . 131 ARG N . 27008 1 147 . 1 1 133 133 TYR H H 1 9.143 0.01 . 1 . . . . . 133 TYR H . 27008 1 148 . 1 1 133 133 TYR N N 15 124.12 0.02 . 1 . . . . . 133 TYR N . 27008 1 149 . 1 1 136 136 LYS H H 1 9.4 0.01 . 1 . . . . . 136 LYS H . 27008 1 150 . 1 1 136 136 LYS N N 15 120.037 0.02 . 1 . . . . . 136 LYS N . 27008 1 151 . 1 1 141 141 LYS H H 1 10.036 0.01 . 1 . . . . . 141 LYS H . 27008 1 152 . 1 1 141 141 LYS N N 15 124.183 0.02 . 1 . . . . . 141 LYS N . 27008 1 153 . 1 1 143 143 GLU H H 1 8.073 0.01 . 1 . . . . . 143 GLU H . 27008 1 154 . 1 1 143 143 GLU N N 15 125.582 0.02 . 1 . . . . . 143 GLU N . 27008 1 155 . 1 1 144 144 GLY H H 1 8.831 0.01 . 1 . . . . . 144 GLY H . 27008 1 156 . 1 1 144 144 GLY N N 15 111.796 0.02 . 1 . . . . . 144 GLY N . 27008 1 157 . 1 1 145 145 LYS H H 1 7.922 0.01 . 1 . . . . . 145 LYS H . 27008 1 158 . 1 1 145 145 LYS N N 15 119.359 0.02 . 1 . . . . . 145 LYS N . 27008 1 159 . 1 1 146 146 ASP H H 1 8.975 0.01 . 1 . . . . . 146 ASP H . 27008 1 160 . 1 1 146 146 ASP N N 15 119.95 0.02 . 1 . . . . . 146 ASP N . 27008 1 161 . 1 1 147 147 ASP H H 1 7.827 0.01 . 1 . . . . . 147 ASP H . 27008 1 162 . 1 1 147 147 ASP N N 15 127.199 0.02 . 1 . . . . . 147 ASP N . 27008 1 163 . 1 1 148 148 VAL H H 1 6.275 0.01 . 1 . . . . . 148 VAL H . 27008 1 164 . 1 1 148 148 VAL N N 15 114.991 0.02 . 1 . . . . . 148 VAL N . 27008 1 165 . 1 1 149 149 THR H H 1 7.407958 0.01 . 1 . . . . . 149 THR H . 27008 1 166 . 1 1 149 149 THR N N 15 105.5345 0.02 . 1 . . . . . 149 THR N . 27008 1 167 . 1 1 150 150 GLY H H 1 7.79 0.01 . 1 . . . . . 150 GLY H . 27008 1 168 . 1 1 150 150 GLY N N 15 111.142 0.02 . 1 . . . . . 150 GLY N . 27008 1 169 . 1 1 152 152 GLU H H 1 8.624 0.01 . 1 . . . . . 152 GLU H . 27008 1 170 . 1 1 152 152 GLU N N 15 119.637 0.02 . 1 . . . . . 152 GLU N . 27008 1 171 . 1 1 153 153 LEU H H 1 7.851 0.01 . 1 . . . . . 153 LEU H . 27008 1 172 . 1 1 153 153 LEU N N 15 120.979 0.02 . 1 . . . . . 153 LEU N . 27008 1 173 . 1 1 154 154 THR H H 1 9.243 0.01 . 1 . . . . . 154 THR H . 27008 1 174 . 1 1 154 154 THR N N 15 114.317 0.02 . 1 . . . . . 154 THR N . 27008 1 175 . 1 1 155 155 THR H H 1 8.295 0.01 . 1 . . . . . 155 THR H . 27008 1 176 . 1 1 155 155 THR N N 15 115.53 0.02 . 1 . . . . . 155 THR N . 27008 1 177 . 1 1 156 156 ARG H H 1 9.734 0.01 . 1 . . . . . 156 ARG H . 27008 1 178 . 1 1 156 156 ARG N N 15 127.292 0.02 . 1 . . . . . 156 ARG N . 27008 1 179 . 1 1 158 158 ASP H H 1 8.35 0.01 . 1 . . . . . 158 ASP H . 27008 1 180 . 1 1 158 158 ASP N N 15 114.612 0.02 . 1 . . . . . 158 ASP N . 27008 1 181 . 1 1 161 161 GLU H H 1 9.118 0.01 . 1 . . . . . 161 GLU H . 27008 1 182 . 1 1 161 161 GLU N N 15 124.467 0.02 . 1 . . . . . 161 GLU N . 27008 1 183 . 1 1 162 162 GLU H H 1 9.175 0.01 . 1 . . . . . 162 GLU H . 27008 1 184 . 1 1 162 162 GLU N N 15 116.324 0.02 . 1 . . . . . 162 GLU N . 27008 1 185 . 1 1 163 163 THR H H 1 7.138 0.01 . 1 . . . . . 163 THR H . 27008 1 186 . 1 1 163 163 THR N N 15 116.362 0.02 . 1 . . . . . 163 THR N . 27008 1 187 . 1 1 164 164 VAL H H 1 8.145 0.01 . 1 . . . . . 164 VAL H . 27008 1 188 . 1 1 164 164 VAL N N 15 123.166 0.02 . 1 . . . . . 164 VAL N . 27008 1 189 . 1 1 165 165 ARG H H 1 8.654 0.01 . 1 . . . . . 165 ARG H . 27008 1 190 . 1 1 165 165 ARG N N 15 116.837 0.02 . 1 . . . . . 165 ARG N . 27008 1 191 . 1 1 166 166 LYS H H 1 7.612 0.01 . 1 . . . . . 166 LYS H . 27008 1 192 . 1 1 166 166 LYS N N 15 120.173 0.02 . 1 . . . . . 166 LYS N . 27008 1 193 . 1 1 173 173 GLN H H 1 8.312 0.01 . 1 . . . . . 173 GLN H . 27008 1 194 . 1 1 173 173 GLN N N 15 118.477 0.02 . 1 . . . . . 173 GLN N . 27008 1 195 . 1 1 174 174 MET H H 1 7.965 0.01 . 1 . . . . . 174 MET H . 27008 1 196 . 1 1 174 174 MET N N 15 115.874 0.02 . 1 . . . . . 174 MET N . 27008 1 197 . 1 1 175 175 THR H H 1 8.033 0.01 . 1 . . . . . 175 THR H . 27008 1 198 . 1 1 175 175 THR N N 15 113.305 0.02 . 1 . . . . . 175 THR N . 27008 1 199 . 1 1 176 176 ALA H H 1 8.127 0.01 . 1 . . . . . 176 ALA H . 27008 1 200 . 1 1 176 176 ALA N N 15 126.02 0.02 . 1 . . . . . 176 ALA N . 27008 1 201 . 1 1 178 178 LEU H H 1 7.236363 0.01 . 1 . . . . . 178 LEU H . 27008 1 202 . 1 1 178 178 LEU N N 15 119.0918 0.02 . 1 . . . . . 178 LEU N . 27008 1 203 . 1 1 180 180 GLY H H 1 7.822 0.01 . 1 . . . . . 180 GLY H . 27008 1 204 . 1 1 180 180 GLY N N 15 107.941 0.02 . 1 . . . . . 180 GLY N . 27008 1 205 . 1 1 181 181 TYR H H 1 7.829 0.01 . 1 . . . . . 181 TYR H . 27008 1 206 . 1 1 181 181 TYR N N 15 123.794 0.02 . 1 . . . . . 181 TYR N . 27008 1 207 . 1 1 182 182 TYR H H 1 8.804 0.01 . 1 . . . . . 182 TYR H . 27008 1 208 . 1 1 182 182 TYR N N 15 117.915 0.02 . 1 . . . . . 182 TYR N . 27008 1 209 . 1 1 184 184 LYS H H 1 7.461 0.01 . 1 . . . . . 184 LYS H . 27008 1 210 . 1 1 184 184 LYS N N 15 123.412 0.02 . 1 . . . . . 184 LYS N . 27008 1 211 . 1 1 185 185 GLU H H 1 7.779 0.01 . 1 . . . . . 185 GLU H . 27008 1 212 . 1 1 185 185 GLU N N 15 120.216 0.02 . 1 . . . . . 185 GLU N . 27008 1 213 . 1 1 186 186 ALA H H 1 8.336 0.01 . 1 . . . . . 186 ALA H . 27008 1 214 . 1 1 186 186 ALA N N 15 122.902 0.02 . 1 . . . . . 186 ALA N . 27008 1 215 . 1 1 187 187 GLU H H 1 7.977 0.01 . 1 . . . . . 187 GLU H . 27008 1 216 . 1 1 187 187 GLU N N 15 122.212 0.02 . 1 . . . . . 187 GLU N . 27008 1 217 . 1 1 188 188 ALA H H 1 7.417 0.01 . 1 . . . . . 188 ALA H . 27008 1 218 . 1 1 188 188 ALA N N 15 118.677 0.02 . 1 . . . . . 188 ALA N . 27008 1 219 . 1 1 189 189 GLY H H 1 7.768 0.01 . 1 . . . . . 189 GLY H . 27008 1 220 . 1 1 189 189 GLY N N 15 105.276 0.02 . 1 . . . . . 189 GLY N . 27008 1 221 . 1 1 191 191 THR H H 1 7.466 0.01 . 1 . . . . . 191 THR H . 27008 1 222 . 1 1 191 191 THR N N 15 113.952 0.02 . 1 . . . . . 191 THR N . 27008 1 223 . 1 1 192 192 LYS H H 1 7.776 0.01 . 1 . . . . . 192 LYS H . 27008 1 224 . 1 1 192 192 LYS N N 15 122.757 0.02 . 1 . . . . . 192 LYS N . 27008 1 225 . 1 1 193 193 TYR H H 1 8.348 0.01 . 1 . . . . . 193 TYR H . 27008 1 226 . 1 1 193 193 TYR N N 15 124.512 0.02 . 1 . . . . . 193 TYR N . 27008 1 227 . 1 1 194 194 ALA H H 1 8.365 0.01 . 1 . . . . . 194 ALA H . 27008 1 228 . 1 1 194 194 ALA N N 15 130.708 0.02 . 1 . . . . . 194 ALA N . 27008 1 229 . 1 1 195 195 LYS H H 1 8.265 0.01 . 1 . . . . . 195 LYS H . 27008 1 230 . 1 1 195 195 LYS N N 15 122.551 0.02 . 1 . . . . . 195 LYS N . 27008 1 231 . 1 1 196 196 VAL H H 1 9.067 0.01 . 1 . . . . . 196 VAL H . 27008 1 232 . 1 1 196 196 VAL N N 15 125.811 0.02 . 1 . . . . . 196 VAL N . 27008 1 233 . 1 1 197 197 ASP H H 1 8.652 0.01 . 1 . . . . . 197 ASP H . 27008 1 234 . 1 1 197 197 ASP N N 15 124.74 0.02 . 1 . . . . . 197 ASP N . 27008 1 235 . 1 1 198 198 GLY H H 1 8.321 0.01 . 1 . . . . . 198 GLY H . 27008 1 236 . 1 1 198 198 GLY N N 15 112.129 0.02 . 1 . . . . . 198 GLY N . 27008 1 237 . 1 1 199 199 THR H H 1 8.531 0.01 . 1 . . . . . 199 THR H . 27008 1 238 . 1 1 199 199 THR N N 15 111.154 0.02 . 1 . . . . . 199 THR N . 27008 1 239 . 1 1 200 200 LYS H H 1 6.529 0.01 . 1 . . . . . 200 LYS H . 27008 1 240 . 1 1 200 200 LYS N N 15 121.645 0.02 . 1 . . . . . 200 LYS N . 27008 1 241 . 1 1 202 202 VAL H H 1 8.392 0.01 . 1 . . . . . 202 VAL H . 27008 1 242 . 1 1 202 202 VAL N N 15 123.485 0.02 . 1 . . . . . 202 VAL N . 27008 1 243 . 1 1 204 204 GLU H H 1 7.355 0.01 . 1 . . . . . 204 GLU H . 27008 1 244 . 1 1 204 204 GLU N N 15 117.725 0.02 . 1 . . . . . 204 GLU N . 27008 1 245 . 1 1 205 205 VAL H H 1 7.815 0.01 . 1 . . . . . 205 VAL H . 27008 1 246 . 1 1 205 205 VAL N N 15 121.414 0.02 . 1 . . . . . 205 VAL N . 27008 1 247 . 1 1 207 207 ALA H H 1 7.171 0.01 . 1 . . . . . 207 ALA H . 27008 1 248 . 1 1 207 207 ALA N N 15 120.44 0.02 . 1 . . . . . 207 ALA N . 27008 1 249 . 1 1 209 209 LEU H H 1 8.483 0.01 . 1 . . . . . 209 LEU H . 27008 1 250 . 1 1 209 209 LEU N N 15 120.563 0.02 . 1 . . . . . 209 LEU N . 27008 1 251 . 1 1 212 212 ILE H H 1 7.528 0.01 . 1 . . . . . 212 ILE H . 27008 1 252 . 1 1 212 212 ILE N N 15 119.291 0.02 . 1 . . . . . 212 ILE N . 27008 1 253 . 1 1 214 214 GLY H H 1 7.574 0.01 . 1 . . . . . 214 GLY H . 27008 1 254 . 1 1 214 214 GLY N N 15 112.592 0.02 . 1 . . . . . 214 GLY N . 27008 1 stop_ save_