################################### # 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_Apo _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_R119A_Apo _Assigned_chem_shift_list.Entry_ID 27000 _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' . . . 27000 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 . . 27000 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 9.605 0.01 . 1 . . . . . 2 ARG H . 27000 1 2 . 1 1 2 2 ARG N N 15 127.756 0.02 . 1 . . . . . 2 ARG N . 27000 1 3 . 1 1 4 4 ILE H H 1 8.56 0.01 . 1 . . . . . 4 ILE H . 27000 1 4 . 1 1 4 4 ILE N N 15 126.096 0.02 . 1 . . . . . 4 ILE N . 27000 1 5 . 1 1 5 5 LEU H H 1 8.159 0.01 . 1 . . . . . 5 LEU H . 27000 1 6 . 1 1 5 5 LEU N N 15 128.854 0.02 . 1 . . . . . 5 LEU N . 27000 1 7 . 1 1 6 6 LEU H H 1 9.396 0.01 . 1 . . . . . 6 LEU H . 27000 1 8 . 1 1 6 6 LEU N N 15 128.846 0.02 . 1 . . . . . 6 LEU N . 27000 1 9 . 1 1 7 7 GLY H H 1 8.036 0.01 . 1 . . . . . 7 GLY H . 27000 1 10 . 1 1 7 7 GLY N N 15 108.417 0.02 . 1 . . . . . 7 GLY N . 27000 1 11 . 1 1 10 10 GLY H H 1 8.204 0.01 . 1 . . . . . 10 GLY H . 27000 1 12 . 1 1 10 10 GLY N N 15 111.147 0.02 . 1 . . . . . 10 GLY N . 27000 1 13 . 1 1 18 18 GLN H H 1 7.621 0.01 . 1 . . . . . 18 GLN H . 27000 1 14 . 1 1 18 18 GLN N N 15 115.062 0.02 . 1 . . . . . 18 GLN N . 27000 1 15 . 1 1 20 20 ILE H H 1 7.89 0.01 . 1 . . . . . 20 ILE H . 27000 1 16 . 1 1 20 20 ILE N N 15 120.111 0.02 . 1 . . . . . 20 ILE N . 27000 1 17 . 1 1 21 21 MET H H 1 8.325 0.01 . 1 . . . . . 21 MET H . 27000 1 18 . 1 1 21 21 MET N N 15 118.265 0.02 . 1 . . . . . 21 MET N . 27000 1 19 . 1 1 22 22 GLU H H 1 7.795 0.01 . 1 . . . . . 22 GLU H . 27000 1 20 . 1 1 22 22 GLU N N 15 117.43 0.02 . 1 . . . . . 22 GLU N . 27000 1 21 . 1 1 23 23 LYS H H 1 8.199 0.01 . 1 . . . . . 23 LYS H . 27000 1 22 . 1 1 23 23 LYS N N 15 120.468 0.02 . 1 . . . . . 23 LYS N . 27000 1 23 . 1 1 24 24 TYR H H 1 7.62 0.01 . 1 . . . . . 24 TYR H . 27000 1 24 . 1 1 24 24 TYR N N 15 112.403 0.02 . 1 . . . . . 24 TYR N . 27000 1 25 . 1 1 25 25 GLY H H 1 7.639 0.01 . 1 . . . . . 25 GLY H . 27000 1 26 . 1 1 25 25 GLY N N 15 111.591 0.02 . 1 . . . . . 25 GLY N . 27000 1 27 . 1 1 28 28 GLN H H 1 8.202 0.01 . 1 . . . . . 28 GLN H . 27000 1 28 . 1 1 28 28 GLN N N 15 119.031 0.02 . 1 . . . . . 28 GLN N . 27000 1 29 . 1 1 29 29 ILE H H 1 9.291 0.01 . 1 . . . . . 29 ILE H . 27000 1 30 . 1 1 29 29 ILE N N 15 127.078 0.02 . 1 . . . . . 29 ILE N . 27000 1 31 . 1 1 31 31 THR H H 1 9.257 0.01 . 1 . . . . . 31 THR H . 27000 1 32 . 1 1 31 31 THR N N 15 118.307 0.02 . 1 . . . . . 31 THR N . 27000 1 33 . 1 1 32 32 GLY H H 1 8.631 0.01 . 1 . . . . . 32 GLY H . 27000 1 34 . 1 1 32 32 GLY N N 15 110.012 0.02 . 1 . . . . . 32 GLY N . 27000 1 35 . 1 1 33 33 ASP H H 1 7.392 0.01 . 1 . . . . . 33 ASP H . 27000 1 36 . 1 1 33 33 ASP N N 15 121.522 0.02 . 1 . . . . . 33 ASP N . 27000 1 37 . 1 1 34 34 MET H H 1 8.106 0.01 . 1 . . . . . 34 MET H . 27000 1 38 . 1 1 34 34 MET N N 15 120.489 0.02 . 1 . . . . . 34 MET N . 27000 1 39 . 1 1 35 35 LEU H H 1 8.344 0.01 . 1 . . . . . 35 LEU H . 27000 1 40 . 1 1 35 35 LEU N N 15 121.42 0.02 . 1 . . . . . 35 LEU N . 27000 1 41 . 1 1 36 36 ARG H H 1 7.615 0.01 . 1 . . . . . 36 ARG H . 27000 1 42 . 1 1 36 36 ARG N N 15 117.774 0.02 . 1 . . . . . 36 ARG N . 27000 1 43 . 1 1 37 37 ALA H H 1 7.957 0.01 . 1 . . . . . 37 ALA H . 27000 1 44 . 1 1 37 37 ALA N N 15 120.205 0.02 . 1 . . . . . 37 ALA N . 27000 1 45 . 1 1 39 39 VAL H H 1 7.993 0.01 . 1 . . . . . 39 VAL H . 27000 1 46 . 1 1 39 39 VAL N N 15 116.837 0.02 . 1 . . . . . 39 VAL N . 27000 1 47 . 1 1 40 40 LYS H H 1 7.596 0.01 . 1 . . . . . 40 LYS H . 27000 1 48 . 1 1 40 40 LYS N N 15 119.226 0.02 . 1 . . . . . 40 LYS N . 27000 1 49 . 1 1 41 41 SER H H 1 7.845 0.01 . 1 . . . . . 41 SER H . 27000 1 50 . 1 1 41 41 SER N N 15 113.652 0.02 . 1 . . . . . 41 SER N . 27000 1 51 . 1 1 42 42 GLY H H 1 7.829 0.01 . 1 . . . . . 42 GLY H . 27000 1 52 . 1 1 42 42 GLY N N 15 109.827 0.02 . 1 . . . . . 42 GLY N . 27000 1 53 . 1 1 43 43 SER H H 1 7.789 0.01 . 1 . . . . . 43 SER H . 27000 1 54 . 1 1 43 43 SER N N 15 115.479 0.02 . 1 . . . . . 43 SER N . 27000 1 55 . 1 1 44 44 GLU H H 1 8.89 0.01 . 1 . . . . . 44 GLU H . 27000 1 56 . 1 1 44 44 GLU N N 15 122.755 0.02 . 1 . . . . . 44 GLU N . 27000 1 57 . 1 1 45 45 LEU H H 1 8.415 0.01 . 1 . . . . . 45 LEU H . 27000 1 58 . 1 1 45 45 LEU N N 15 119.32 0.02 . 1 . . . . . 45 LEU N . 27000 1 59 . 1 1 46 46 GLY H H 1 8.048 0.01 . 1 . . . . . 46 GLY H . 27000 1 60 . 1 1 46 46 GLY N N 15 108.044 0.02 . 1 . . . . . 46 GLY N . 27000 1 61 . 1 1 47 47 LYS H H 1 8.307 0.01 . 1 . . . . . 47 LYS H . 27000 1 62 . 1 1 47 47 LYS N N 15 122.32 0.02 . 1 . . . . . 47 LYS N . 27000 1 63 . 1 1 48 48 GLN H H 1 7.526 0.01 . 1 . . . . . 48 GLN H . 27000 1 64 . 1 1 48 48 GLN N N 15 118.769 0.02 . 1 . . . . . 48 GLN N . 27000 1 65 . 1 1 49 49 ALA H H 1 8.264 0.01 . 1 . . . . . 49 ALA H . 27000 1 66 . 1 1 49 49 ALA N N 15 120.733 0.02 . 1 . . . . . 49 ALA N . 27000 1 67 . 1 1 50 50 LYS H H 1 8.375 0.01 . 1 . . . . . 50 LYS H . 27000 1 68 . 1 1 50 50 LYS N N 15 119.672 0.02 . 1 . . . . . 50 LYS N . 27000 1 69 . 1 1 51 51 ASP H H 1 7.914 0.01 . 1 . . . . . 51 ASP H . 27000 1 70 . 1 1 51 51 ASP N N 15 118.423 0.02 . 1 . . . . . 51 ASP N . 27000 1 71 . 1 1 52 52 ILE H H 1 7.488 0.01 . 1 . . . . . 52 ILE H . 27000 1 72 . 1 1 52 52 ILE N N 15 120.984 0.02 . 1 . . . . . 52 ILE N . 27000 1 73 . 1 1 53 53 MET H H 1 8.309 0.01 . 1 . . . . . 53 MET H . 27000 1 74 . 1 1 53 53 MET N N 15 119.403 0.02 . 1 . . . . . 53 MET N . 27000 1 75 . 1 1 54 54 ASP H H 1 9.201 0.01 . 1 . . . . . 54 ASP H . 27000 1 76 . 1 1 54 54 ASP N N 15 122.189 0.02 . 1 . . . . . 54 ASP N . 27000 1 77 . 1 1 55 55 ALA H H 1 7.232 0.01 . 1 . . . . . 55 ALA H . 27000 1 78 . 1 1 55 55 ALA N N 15 119.841 0.02 . 1 . . . . . 55 ALA N . 27000 1 79 . 1 1 56 56 GLY H H 1 7.964 0.01 . 1 . . . . . 56 GLY H . 27000 1 80 . 1 1 56 56 GLY N N 15 107.757 0.02 . 1 . . . . . 56 GLY N . 27000 1 81 . 1 1 57 57 LYS H H 1 7.463 0.01 . 1 . . . . . 57 LYS H . 27000 1 82 . 1 1 57 57 LYS N N 15 119.399 0.02 . 1 . . . . . 57 LYS N . 27000 1 83 . 1 1 58 58 LEU H H 1 7.832 0.01 . 1 . . . . . 58 LEU H . 27000 1 84 . 1 1 58 58 LEU N N 15 119.387 0.02 . 1 . . . . . 58 LEU N . 27000 1 85 . 1 1 59 59 VAL H H 1 8.241 0.01 . 1 . . . . . 59 VAL H . 27000 1 86 . 1 1 59 59 VAL N N 15 121.602 0.02 . 1 . . . . . 59 VAL N . 27000 1 87 . 1 1 60 60 THR H H 1 6.992 0.01 . 1 . . . . . 60 THR H . 27000 1 88 . 1 1 60 60 THR N N 15 116.644 0.02 . 1 . . . . . 60 THR N . 27000 1 89 . 1 1 61 61 ASP H H 1 8.864 0.01 . 1 . . . . . 61 ASP H . 27000 1 90 . 1 1 61 61 ASP N N 15 121.923 0.02 . 1 . . . . . 61 ASP N . 27000 1 91 . 1 1 62 62 GLU H H 1 8.684 0.01 . 1 . . . . . 62 GLU H . 27000 1 92 . 1 1 62 62 GLU N N 15 117.227 0.02 . 1 . . . . . 62 GLU N . 27000 1 93 . 1 1 63 63 LEU H H 1 7.395 0.01 . 1 . . . . . 63 LEU H . 27000 1 94 . 1 1 63 63 LEU N N 15 122.487 0.02 . 1 . . . . . 63 LEU N . 27000 1 95 . 1 1 65 65 ILE H H 1 8.306 0.01 . 1 . . . . . 65 ILE H . 27000 1 96 . 1 1 65 65 ILE N N 15 118.967 0.02 . 1 . . . . . 65 ILE N . 27000 1 97 . 1 1 66 66 ALA H H 1 7.511 0.01 . 1 . . . . . 66 ALA H . 27000 1 98 . 1 1 66 66 ALA N N 15 122.581 0.02 . 1 . . . . . 66 ALA N . 27000 1 99 . 1 1 67 67 LEU H H 1 8.205 0.01 . 1 . . . . . 67 LEU H . 27000 1 100 . 1 1 67 67 LEU N N 15 119.964 0.02 . 1 . . . . . 67 LEU N . 27000 1 101 . 1 1 68 68 VAL H H 1 8.46 0.01 . 1 . . . . . 68 VAL H . 27000 1 102 . 1 1 68 68 VAL N N 15 123.178 0.02 . 1 . . . . . 68 VAL N . 27000 1 103 . 1 1 69 69 LYS H H 1 8.291 0.01 . 1 . . . . . 69 LYS H . 27000 1 104 . 1 1 69 69 LYS N N 15 118.676 0.02 . 1 . . . . . 69 LYS N . 27000 1 105 . 1 1 70 70 GLU H H 1 7.418 0.01 . 1 . . . . . 70 GLU H . 27000 1 106 . 1 1 70 70 GLU N N 15 117.255 0.02 . 1 . . . . . 70 GLU N . 27000 1 107 . 1 1 72 72 ILE H H 1 8.154 0.01 . 1 . . . . . 72 ILE H . 27000 1 108 . 1 1 72 72 ILE N N 15 110.688 0.02 . 1 . . . . . 72 ILE N . 27000 1 109 . 1 1 73 73 ALA H H 1 6.996 0.01 . 1 . . . . . 73 ALA H . 27000 1 110 . 1 1 73 73 ALA N N 15 122.421 0.02 . 1 . . . . . 73 ALA N . 27000 1 111 . 1 1 74 74 GLN H H 1 7.2 0.01 . 1 . . . . . 74 GLN H . 27000 1 112 . 1 1 74 74 GLN N N 15 116.821 0.02 . 1 . . . . . 74 GLN N . 27000 1 113 . 1 1 75 75 GLU H H 1 8.93 0.01 . 1 . . . . . 75 GLU H . 27000 1 114 . 1 1 75 75 GLU N N 15 122.27 0.02 . 1 . . . . . 75 GLU N . 27000 1 115 . 1 1 76 76 ASP H H 1 8.425 0.01 . 1 . . . . . 76 ASP H . 27000 1 116 . 1 1 76 76 ASP N N 15 117.131 0.02 . 1 . . . . . 76 ASP N . 27000 1 117 . 1 1 77 77 CYS H H 1 7.672 0.01 . 1 . . . . . 77 CYS H . 27000 1 118 . 1 1 77 77 CYS N N 15 118.142 0.02 . 1 . . . . . 77 CYS N . 27000 1 119 . 1 1 78 78 ARG H H 1 7.628 0.01 . 1 . . . . . 78 ARG H . 27000 1 120 . 1 1 78 78 ARG N N 15 122.65 0.02 . 1 . . . . . 78 ARG N . 27000 1 121 . 1 1 80 80 GLY H H 1 7.648 0.01 . 1 . . . . . 80 GLY H . 27000 1 122 . 1 1 80 80 GLY N N 15 108.975 0.02 . 1 . . . . . 80 GLY N . 27000 1 123 . 1 1 81 81 PHE H H 1 7.341 0.01 . 1 . . . . . 81 PHE H . 27000 1 124 . 1 1 81 81 PHE N N 15 108.467 0.02 . 1 . . . . . 81 PHE N . 27000 1 125 . 1 1 82 82 LEU H H 1 8.789 0.01 . 1 . . . . . 82 LEU H . 27000 1 126 . 1 1 82 82 LEU N N 15 122.475 0.02 . 1 . . . . . 82 LEU N . 27000 1 127 . 1 1 83 83 LEU H H 1 9.458 0.01 . 1 . . . . . 83 LEU H . 27000 1 128 . 1 1 83 83 LEU N N 15 128.119 0.02 . 1 . . . . . 83 LEU N . 27000 1 129 . 1 1 85 85 GLY H H 1 8.866 0.01 . 1 . . . . . 85 GLY H . 27000 1 130 . 1 1 85 85 GLY N N 15 113.146 0.02 . 1 . . . . . 85 GLY N . 27000 1 131 . 1 1 86 86 PHE H H 1 7.317 0.01 . 1 . . . . . 86 PHE H . 27000 1 132 . 1 1 86 86 PHE N N 15 120.198 0.02 . 1 . . . . . 86 PHE N . 27000 1 133 . 1 1 88 88 ARG H H 1 8.554 0.01 . 1 . . . . . 88 ARG H . 27000 1 134 . 1 1 88 88 ARG N N 15 114.517 0.02 . 1 . . . . . 88 ARG N . 27000 1 135 . 1 1 89 89 THR H H 1 7.059 0.01 . 1 . . . . . 89 THR H . 27000 1 136 . 1 1 89 89 THR N N 15 107.075 0.02 . 1 . . . . . 89 THR N . 27000 1 137 . 1 1 90 90 ILE H H 1 8.968 0.01 . 1 . . . . . 90 ILE H . 27000 1 138 . 1 1 90 90 ILE N N 15 121.533 0.02 . 1 . . . . . 90 ILE N . 27000 1 139 . 1 1 92 92 GLN H H 1 7.213 0.01 . 1 . . . . . 92 GLN H . 27000 1 140 . 1 1 92 92 GLN N N 15 116.539 0.02 . 1 . . . . . 92 GLN N . 27000 1 141 . 1 1 93 93 ALA H H 1 7.683 0.01 . 1 . . . . . 93 ALA H . 27000 1 142 . 1 1 93 93 ALA N N 15 124.927 0.02 . 1 . . . . . 93 ALA N . 27000 1 143 . 1 1 95 95 ALA H H 1 8.032 0.01 . 1 . . . . . 95 ALA H . 27000 1 144 . 1 1 95 95 ALA N N 15 123.06 0.02 . 1 . . . . . 95 ALA N . 27000 1 145 . 1 1 97 97 LYS H H 1 7.52 0.01 . 1 . . . . . 97 LYS H . 27000 1 146 . 1 1 97 97 LYS N N 15 120.794 0.02 . 1 . . . . . 97 LYS N . 27000 1 147 . 1 1 98 98 GLU H H 1 8.413 0.01 . 1 . . . . . 98 GLU H . 27000 1 148 . 1 1 98 98 GLU N N 15 121.432 0.02 . 1 . . . . . 98 GLU N . 27000 1 149 . 1 1 99 99 ALA H H 1 7.466 0.01 . 1 . . . . . 99 ALA H . 27000 1 150 . 1 1 99 99 ALA N N 15 113.186 0.02 . 1 . . . . . 99 ALA N . 27000 1 151 . 1 1 100 100 GLY H H 1 7.806 0.01 . 1 . . . . . 100 GLY H . 27000 1 152 . 1 1 100 100 GLY N N 15 106.645 0.02 . 1 . . . . . 100 GLY N . 27000 1 153 . 1 1 101 101 ILE H H 1 8.025 0.01 . 1 . . . . . 101 ILE H . 27000 1 154 . 1 1 101 101 ILE N N 15 122.001 0.02 . 1 . . . . . 101 ILE N . 27000 1 155 . 1 1 102 102 ASN H H 1 7.846 0.01 . 1 . . . . . 102 ASN H . 27000 1 156 . 1 1 102 102 ASN N N 15 123.598 0.02 . 1 . . . . . 102 ASN N . 27000 1 157 . 1 1 103 103 VAL H H 1 8.348 0.01 . 1 . . . . . 103 VAL H . 27000 1 158 . 1 1 103 103 VAL N N 15 113.074 0.02 . 1 . . . . . 103 VAL N . 27000 1 159 . 1 1 105 105 TYR H H 1 7.563 0.01 . 1 . . . . . 105 TYR H . 27000 1 160 . 1 1 105 105 TYR N N 15 114.373 0.02 . 1 . . . . . 105 TYR N . 27000 1 161 . 1 1 106 106 VAL H H 1 8.911 0.01 . 1 . . . . . 106 VAL H . 27000 1 162 . 1 1 106 106 VAL N N 15 123.428 0.02 . 1 . . . . . 106 VAL N . 27000 1 163 . 1 1 107 107 LEU H H 1 8.84 0.01 . 1 . . . . . 107 LEU H . 27000 1 164 . 1 1 107 107 LEU N N 15 124.539 0.02 . 1 . . . . . 107 LEU N . 27000 1 165 . 1 1 108 108 GLU H H 1 8.743 0.01 . 1 . . . . . 108 GLU H . 27000 1 166 . 1 1 108 108 GLU N N 15 124.686 0.02 . 1 . . . . . 108 GLU N . 27000 1 167 . 1 1 109 109 PHE H H 1 9.18 0.01 . 1 . . . . . 109 PHE H . 27000 1 168 . 1 1 109 109 PHE N N 15 130.69 0.02 . 1 . . . . . 109 PHE N . 27000 1 169 . 1 1 110 110 ASP H H 1 8.682 0.01 . 1 . . . . . 110 ASP H . 27000 1 170 . 1 1 110 110 ASP N N 15 128.959 0.02 . 1 . . . . . 110 ASP N . 27000 1 171 . 1 1 111 111 VAL H H 1 7.351 0.01 . 1 . . . . . 111 VAL H . 27000 1 172 . 1 1 111 111 VAL N N 15 125.694 0.02 . 1 . . . . . 111 VAL N . 27000 1 173 . 1 1 113 113 ASP H H 1 8.789 0.01 . 1 . . . . . 113 ASP H . 27000 1 174 . 1 1 113 113 ASP N N 15 123.861 0.02 . 1 . . . . . 113 ASP N . 27000 1 175 . 1 1 114 114 GLU H H 1 8.971 0.01 . 1 . . . . . 114 GLU H . 27000 1 176 . 1 1 114 114 GLU N N 15 114.761 0.02 . 1 . . . . . 114 GLU N . 27000 1 177 . 1 1 121 121 VAL H H 1 8.877 0.01 . 1 . . . . . 121 VAL H . 27000 1 178 . 1 1 121 121 VAL N N 15 114.97 0.02 . 1 . . . . . 121 VAL N . 27000 1 179 . 1 1 122 122 GLY H H 1 7.212 0.01 . 1 . . . . . 122 GLY H . 27000 1 180 . 1 1 122 122 GLY N N 15 105.267 0.02 . 1 . . . . . 122 GLY N . 27000 1 181 . 1 1 123 123 ARG H H 1 7.585 0.01 . 1 . . . . . 123 ARG H . 27000 1 182 . 1 1 123 123 ARG N N 15 120.455 0.02 . 1 . . . . . 123 ARG N . 27000 1 183 . 1 1 124 124 ARG H H 1 8.785 0.01 . 1 . . . . . 124 ARG H . 27000 1 184 . 1 1 124 124 ARG N N 15 125.307 0.02 . 1 . . . . . 124 ARG N . 27000 1 185 . 1 1 127 127 ALA H H 1 9 0.01 . 1 . . . . . 127 ALA H . 27000 1 186 . 1 1 127 127 ALA N N 15 129.633 0.02 . 1 . . . . . 127 ALA N . 27000 1 187 . 1 1 129 129 SER H H 1 6.716 0.01 . 1 . . . . . 129 SER H . 27000 1 188 . 1 1 129 129 SER N N 15 107.49 0.02 . 1 . . . . . 129 SER N . 27000 1 189 . 1 1 130 130 GLY H H 1 8.535 0.01 . 1 . . . . . 130 GLY H . 27000 1 190 . 1 1 130 130 GLY N N 15 113.121 0.02 . 1 . . . . . 130 GLY N . 27000 1 191 . 1 1 131 131 ARG H H 1 8.391 0.01 . 1 . . . . . 131 ARG H . 27000 1 192 . 1 1 131 131 ARG N N 15 122.198 0.02 . 1 . . . . . 131 ARG N . 27000 1 193 . 1 1 132 132 VAL H H 1 7.852 0.01 . 1 . . . . . 132 VAL H . 27000 1 194 . 1 1 132 132 VAL N N 15 119.99 0.02 . 1 . . . . . 132 VAL N . 27000 1 195 . 1 1 133 133 TYR H H 1 9.152 0.01 . 1 . . . . . 133 TYR H . 27000 1 196 . 1 1 133 133 TYR N N 15 124.373 0.02 . 1 . . . . . 133 TYR N . 27000 1 197 . 1 1 134 134 HIS H H 1 8.322 0.01 . 1 . . . . . 134 HIS H . 27000 1 198 . 1 1 134 134 HIS N N 15 120.844 0.02 . 1 . . . . . 134 HIS N . 27000 1 199 . 1 1 136 136 LYS H H 1 9.396 0.01 . 1 . . . . . 136 LYS H . 27000 1 200 . 1 1 136 136 LYS N N 15 119.972 0.02 . 1 . . . . . 136 LYS N . 27000 1 201 . 1 1 138 138 ASN H H 1 8.553 0.01 . 1 . . . . . 138 ASN H . 27000 1 202 . 1 1 138 138 ASN N N 15 114.182 0.02 . 1 . . . . . 138 ASN N . 27000 1 203 . 1 1 141 141 LYS H H 1 10.031 0.01 . 1 . . . . . 141 LYS H . 27000 1 204 . 1 1 141 141 LYS N N 15 124.196 0.02 . 1 . . . . . 141 LYS N . 27000 1 205 . 1 1 143 143 GLU H H 1 8.071 0.01 . 1 . . . . . 143 GLU H . 27000 1 206 . 1 1 143 143 GLU N N 15 125.587 0.02 . 1 . . . . . 143 GLU N . 27000 1 207 . 1 1 144 144 GLY H H 1 8.835 0.01 . 1 . . . . . 144 GLY H . 27000 1 208 . 1 1 144 144 GLY N N 15 111.79 0.02 . 1 . . . . . 144 GLY N . 27000 1 209 . 1 1 145 145 LYS H H 1 7.914 0.01 . 1 . . . . . 145 LYS H . 27000 1 210 . 1 1 145 145 LYS N N 15 119.315 0.02 . 1 . . . . . 145 LYS N . 27000 1 211 . 1 1 146 146 ASP H H 1 8.974 0.01 . 1 . . . . . 146 ASP H . 27000 1 212 . 1 1 146 146 ASP N N 15 119.941 0.02 . 1 . . . . . 146 ASP N . 27000 1 213 . 1 1 147 147 ASP H H 1 7.815 0.01 . 1 . . . . . 147 ASP H . 27000 1 214 . 1 1 147 147 ASP N N 15 127.151 0.02 . 1 . . . . . 147 ASP N . 27000 1 215 . 1 1 148 148 VAL H H 1 6.271 0.01 . 1 . . . . . 148 VAL H . 27000 1 216 . 1 1 148 148 VAL N N 15 114.969 0.02 . 1 . . . . . 148 VAL N . 27000 1 217 . 1 1 149 149 THR H H 1 7.402 0.01 . 1 . . . . . 149 THR H . 27000 1 218 . 1 1 149 149 THR N N 15 105.479 0.02 . 1 . . . . . 149 THR N . 27000 1 219 . 1 1 150 150 GLY H H 1 7.789 0.01 . 1 . . . . . 150 GLY H . 27000 1 220 . 1 1 150 150 GLY N N 15 111.135 0.02 . 1 . . . . . 150 GLY N . 27000 1 221 . 1 1 151 151 GLU H H 1 7.505 0.01 . 1 . . . . . 151 GLU H . 27000 1 222 . 1 1 151 151 GLU N N 15 118.756 0.02 . 1 . . . . . 151 GLU N . 27000 1 223 . 1 1 152 152 GLU H H 1 8.619 0.01 . 1 . . . . . 152 GLU H . 27000 1 224 . 1 1 152 152 GLU N N 15 119.596 0.02 . 1 . . . . . 152 GLU N . 27000 1 225 . 1 1 153 153 LEU H H 1 7.841 0.01 . 1 . . . . . 153 LEU H . 27000 1 226 . 1 1 153 153 LEU N N 15 120.949 0.02 . 1 . . . . . 153 LEU N . 27000 1 227 . 1 1 154 154 THR H H 1 9.239 0.01 . 1 . . . . . 154 THR H . 27000 1 228 . 1 1 154 154 THR N N 15 114.277 0.02 . 1 . . . . . 154 THR N . 27000 1 229 . 1 1 155 155 THR H H 1 8.303 0.01 . 1 . . . . . 155 THR H . 27000 1 230 . 1 1 155 155 THR N N 15 115.623 0.02 . 1 . . . . . 155 THR N . 27000 1 231 . 1 1 156 156 ARG H H 1 9.719 0.01 . 1 . . . . . 156 ARG H . 27000 1 232 . 1 1 156 156 ARG N N 15 127.203 0.02 . 1 . . . . . 156 ARG N . 27000 1 233 . 1 1 158 158 ASP H H 1 8.302 0.01 . 1 . . . . . 158 ASP H . 27000 1 234 . 1 1 158 158 ASP N N 15 114.61 0.02 . 1 . . . . . 158 ASP N . 27000 1 235 . 1 1 161 161 GLU H H 1 9.123 0.01 . 1 . . . . . 161 GLU H . 27000 1 236 . 1 1 161 161 GLU N N 15 124.455 0.02 . 1 . . . . . 161 GLU N . 27000 1 237 . 1 1 162 162 GLU H H 1 9.172 0.01 . 1 . . . . . 162 GLU H . 27000 1 238 . 1 1 162 162 GLU N N 15 116.499 0.02 . 1 . . . . . 162 GLU N . 27000 1 239 . 1 1 163 163 THR H H 1 7.115 0.01 . 1 . . . . . 163 THR H . 27000 1 240 . 1 1 163 163 THR N N 15 116.298 0.02 . 1 . . . . . 163 THR N . 27000 1 241 . 1 1 164 164 VAL H H 1 8.179 0.01 . 1 . . . . . 164 VAL H . 27000 1 242 . 1 1 164 164 VAL N N 15 123.134 0.02 . 1 . . . . . 164 VAL N . 27000 1 243 . 1 1 165 165 ARG H H 1 8.712 0.01 . 1 . . . . . 165 ARG H . 27000 1 244 . 1 1 165 165 ARG N N 15 116.912 0.02 . 1 . . . . . 165 ARG N . 27000 1 245 . 1 1 166 166 LYS H H 1 7.658 0.01 . 1 . . . . . 166 LYS H . 27000 1 246 . 1 1 166 166 LYS N N 15 120.071 0.02 . 1 . . . . . 166 LYS N . 27000 1 247 . 1 1 168 168 LEU H H 1 8.058 0.01 . 1 . . . . . 168 LEU H . 27000 1 248 . 1 1 168 168 LEU N N 15 121.533 0.02 . 1 . . . . . 168 LEU N . 27000 1 249 . 1 1 171 171 TYR H H 1 8.118 0.01 . 1 . . . . . 171 TYR H . 27000 1 250 . 1 1 171 171 TYR N N 15 120.219 0.02 . 1 . . . . . 171 TYR N . 27000 1 251 . 1 1 173 173 GLN H H 1 8.463 0.01 . 1 . . . . . 173 GLN H . 27000 1 252 . 1 1 173 173 GLN N N 15 118.888 0.02 . 1 . . . . . 173 GLN N . 27000 1 253 . 1 1 174 174 MET H H 1 7.724 0.01 . 1 . . . . . 174 MET H . 27000 1 254 . 1 1 174 174 MET N N 15 115.617 0.02 . 1 . . . . . 174 MET N . 27000 1 255 . 1 1 175 175 THR H H 1 8.128 0.01 . 1 . . . . . 175 THR H . 27000 1 256 . 1 1 175 175 THR N N 15 113.484 0.02 . 1 . . . . . 175 THR N . 27000 1 257 . 1 1 176 176 ALA H H 1 8.35 0.01 . 1 . . . . . 176 ALA H . 27000 1 258 . 1 1 176 176 ALA N N 15 125.997 0.02 . 1 . . . . . 176 ALA N . 27000 1 259 . 1 1 178 178 LEU H H 1 6.861 0.01 . 1 . . . . . 178 LEU H . 27000 1 260 . 1 1 178 178 LEU N N 15 119.157 0.02 . 1 . . . . . 178 LEU N . 27000 1 261 . 1 1 179 179 ILE H H 1 8.371 0.01 . 1 . . . . . 179 ILE H . 27000 1 262 . 1 1 179 179 ILE N N 15 121.081 0.02 . 1 . . . . . 179 ILE N . 27000 1 263 . 1 1 180 180 GLY H H 1 7.803 0.01 . 1 . . . . . 180 GLY H . 27000 1 264 . 1 1 180 180 GLY N N 15 107.613 0.02 . 1 . . . . . 180 GLY N . 27000 1 265 . 1 1 181 181 TYR H H 1 7.875 0.01 . 1 . . . . . 181 TYR H . 27000 1 266 . 1 1 181 181 TYR N N 15 123.709 0.02 . 1 . . . . . 181 TYR N . 27000 1 267 . 1 1 182 182 TYR H H 1 8.848 0.01 . 1 . . . . . 182 TYR H . 27000 1 268 . 1 1 182 182 TYR N N 15 118.745 0.02 . 1 . . . . . 182 TYR N . 27000 1 269 . 1 1 184 184 LYS H H 1 7.364 0.01 . 1 . . . . . 184 LYS H . 27000 1 270 . 1 1 184 184 LYS N N 15 123.517 0.02 . 1 . . . . . 184 LYS N . 27000 1 271 . 1 1 185 185 GLU H H 1 7.927 0.01 . 1 . . . . . 185 GLU H . 27000 1 272 . 1 1 185 185 GLU N N 15 120.868 0.02 . 1 . . . . . 185 GLU N . 27000 1 273 . 1 1 186 186 ALA H H 1 8.285 0.01 . 1 . . . . . 186 ALA H . 27000 1 274 . 1 1 186 186 ALA N N 15 122.805 0.02 . 1 . . . . . 186 ALA N . 27000 1 275 . 1 1 187 187 GLU H H 1 7.898 0.01 . 1 . . . . . 187 GLU H . 27000 1 276 . 1 1 187 187 GLU N N 15 122.059 0.02 . 1 . . . . . 187 GLU N . 27000 1 277 . 1 1 188 188 ALA H H 1 7.417 0.01 . 1 . . . . . 188 ALA H . 27000 1 278 . 1 1 188 188 ALA N N 15 118.725 0.02 . 1 . . . . . 188 ALA N . 27000 1 279 . 1 1 189 189 GLY H H 1 7.744 0.01 . 1 . . . . . 189 GLY H . 27000 1 280 . 1 1 189 189 GLY N N 15 105.252 0.02 . 1 . . . . . 189 GLY N . 27000 1 281 . 1 1 190 190 ASN H H 1 8.09 0.01 . 1 . . . . . 190 ASN H . 27000 1 282 . 1 1 190 190 ASN N N 15 117.214 0.02 . 1 . . . . . 190 ASN N . 27000 1 283 . 1 1 191 191 THR H H 1 7.448 0.01 . 1 . . . . . 191 THR H . 27000 1 284 . 1 1 191 191 THR N N 15 113.716 0.02 . 1 . . . . . 191 THR N . 27000 1 285 . 1 1 192 192 LYS H H 1 7.769 0.01 . 1 . . . . . 192 LYS H . 27000 1 286 . 1 1 192 192 LYS N N 15 122.559 0.02 . 1 . . . . . 192 LYS N . 27000 1 287 . 1 1 193 193 TYR H H 1 8.237 0.01 . 1 . . . . . 193 TYR H . 27000 1 288 . 1 1 193 193 TYR N N 15 123.782 0.02 . 1 . . . . . 193 TYR N . 27000 1 289 . 1 1 194 194 ALA H H 1 8.195 0.01 . 1 . . . . . 194 ALA H . 27000 1 290 . 1 1 194 194 ALA N N 15 130.136 0.02 . 1 . . . . . 194 ALA N . 27000 1 291 . 1 1 195 195 LYS H H 1 8.256 0.01 . 1 . . . . . 195 LYS H . 27000 1 292 . 1 1 195 195 LYS N N 15 122.626 0.02 . 1 . . . . . 195 LYS N . 27000 1 293 . 1 1 196 196 VAL H H 1 9.022 0.01 . 1 . . . . . 196 VAL H . 27000 1 294 . 1 1 196 196 VAL N N 15 125.537 0.02 . 1 . . . . . 196 VAL N . 27000 1 295 . 1 1 197 197 ASP H H 1 8.645 0.01 . 1 . . . . . 197 ASP H . 27000 1 296 . 1 1 197 197 ASP N N 15 124.755 0.02 . 1 . . . . . 197 ASP N . 27000 1 297 . 1 1 198 198 GLY H H 1 8.325 0.01 . 1 . . . . . 198 GLY H . 27000 1 298 . 1 1 198 198 GLY N N 15 112.077 0.02 . 1 . . . . . 198 GLY N . 27000 1 299 . 1 1 199 199 THR H H 1 8.545 0.01 . 1 . . . . . 199 THR H . 27000 1 300 . 1 1 199 199 THR N N 15 111.35 0.02 . 1 . . . . . 199 THR N . 27000 1 301 . 1 1 200 200 LYS H H 1 6.518 0.01 . 1 . . . . . 200 LYS H . 27000 1 302 . 1 1 200 200 LYS N N 15 121.628 0.02 . 1 . . . . . 200 LYS N . 27000 1 303 . 1 1 202 202 VAL H H 1 8.395 0.01 . 1 . . . . . 202 VAL H . 27000 1 304 . 1 1 202 202 VAL N N 15 123.499 0.02 . 1 . . . . . 202 VAL N . 27000 1 305 . 1 1 204 204 GLU H H 1 7.351 0.01 . 1 . . . . . 204 GLU H . 27000 1 306 . 1 1 204 204 GLU N N 15 117.804 0.02 . 1 . . . . . 204 GLU N . 27000 1 307 . 1 1 205 205 VAL H H 1 7.801 0.01 . 1 . . . . . 205 VAL H . 27000 1 308 . 1 1 205 205 VAL N N 15 121.191 0.02 . 1 . . . . . 205 VAL N . 27000 1 309 . 1 1 206 206 ARG H H 1 7.875 0.01 . 1 . . . . . 206 ARG H . 27000 1 310 . 1 1 206 206 ARG N N 15 118.572 0.02 . 1 . . . . . 206 ARG N . 27000 1 311 . 1 1 207 207 ALA H H 1 7.181 0.01 . 1 . . . . . 207 ALA H . 27000 1 312 . 1 1 207 207 ALA N N 15 120.45 0.02 . 1 . . . . . 207 ALA N . 27000 1 313 . 1 1 208 208 ASP H H 1 8.21 0.01 . 1 . . . . . 208 ASP H . 27000 1 314 . 1 1 208 208 ASP N N 15 121.333 0.02 . 1 . . . . . 208 ASP N . 27000 1 315 . 1 1 209 209 LEU H H 1 8.451 0.01 . 1 . . . . . 209 LEU H . 27000 1 316 . 1 1 209 209 LEU N N 15 120.518 0.02 . 1 . . . . . 209 LEU N . 27000 1 317 . 1 1 210 210 GLU H H 1 8.381 0.01 . 1 . . . . . 210 GLU H . 27000 1 318 . 1 1 210 210 GLU N N 15 118.895 0.02 . 1 . . . . . 210 GLU N . 27000 1 319 . 1 1 212 212 ILE H H 1 7.546 0.01 . 1 . . . . . 212 ILE H . 27000 1 320 . 1 1 212 212 ILE N N 15 119.257 0.02 . 1 . . . . . 212 ILE N . 27000 1 321 . 1 1 213 213 LEU H H 1 8.049 0.01 . 1 . . . . . 213 LEU H . 27000 1 322 . 1 1 213 213 LEU N N 15 117.1 0.02 . 1 . . . . . 213 LEU N . 27000 1 323 . 1 1 214 214 GLY H H 1 7.556 0.01 . 1 . . . . . 214 GLY H . 27000 1 324 . 1 1 214 214 GLY N N 15 112.535 0.02 . 1 . . . . . 214 GLY N . 27000 1 stop_ save_