################################### # 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_1_Cdc42-GDP _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1_Cdc42-GDP _Assigned_chem_shift_list.Entry_ID 50179 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Cdc42-GDP _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 $chem_shift_reference_1_DSS _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' . . . 50179 1 2 '3D 1H-15N NOESY' . . . 50179 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 3 3 GLN H H 1 8.461 0.000 . 1 . . . . . 2 GLN H . 50179 1 2 . 1 . 1 3 3 GLN N N 15 122.225 0.000 . 1 . . . . . 2 GLN N . 50179 1 3 . 1 . 1 4 4 THR H H 1 8.339 0.000 . 1 . . . . . 3 THR H . 50179 1 4 . 1 . 1 4 4 THR N N 15 118.334 0.000 . 1 . . . . . 3 THR N . 50179 1 5 . 1 . 1 5 5 ILE H H 1 9.029 0.000 . 1 . . . . . 4 ILE H . 50179 1 6 . 1 . 1 5 5 ILE N N 15 126.903 0.000 . 1 . . . . . 4 ILE N . 50179 1 7 . 1 . 1 6 6 LYS H H 1 10.683 0.000 . 1 . . . . . 5 LYS H . 50179 1 8 . 1 . 1 6 6 LYS N N 15 131.664 0.000 . 1 . . . . . 5 LYS N . 50179 1 9 . 1 . 1 7 7 CYS H H 1 9.513 0.000 . 1 . . . . . 6 CYS H . 50179 1 10 . 1 . 1 7 7 CYS N N 15 131.689 0.000 . 1 . . . . . 6 CYS N . 50179 1 11 . 1 . 1 8 8 VAL H H 1 7.715 0.000 . 1 . . . . . 7 VAL H . 50179 1 12 . 1 . 1 8 8 VAL N N 15 129.325 0.000 . 1 . . . . . 7 VAL N . 50179 1 13 . 1 . 1 9 9 VAL H H 1 8.480 0.000 . 1 . . . . . 8 VAL H . 50179 1 14 . 1 . 1 9 9 VAL N N 15 126.860 0.000 . 1 . . . . . 8 VAL N . 50179 1 15 . 1 . 1 10 10 VAL H H 1 8.863 0.000 . 1 . . . . . 9 VAL H . 50179 1 16 . 1 . 1 10 10 VAL N N 15 117.323 0.000 . 1 . . . . . 9 VAL N . 50179 1 17 . 1 . 1 11 11 GLY H H 1 6.792 0.000 . 1 . . . . . 10 GLY H . 50179 1 18 . 1 . 1 11 11 GLY N N 15 107.759 0.000 . 1 . . . . . 10 GLY N . 50179 1 19 . 1 . 1 13 13 GLY H H 1 8.759 0.000 . 1 . . . . . 12 GLY H . 50179 1 20 . 1 . 1 13 13 GLY N N 15 105.171 0.000 . 1 . . . . . 12 GLY N . 50179 1 21 . 1 . 1 14 14 ALA H H 1 8.324 0.000 . 1 . . . . . 13 ALA H . 50179 1 22 . 1 . 1 14 14 ALA N N 15 119.854 0.000 . 1 . . . . . 13 ALA N . 50179 1 23 . 1 . 1 15 15 VAL H H 1 7.556 0.000 . 1 . . . . . 14 VAL H . 50179 1 24 . 1 . 1 15 15 VAL N N 15 110.849 0.000 . 1 . . . . . 14 VAL N . 50179 1 25 . 1 . 1 16 16 GLY H H 1 8.707 0.000 . 1 . . . . . 15 GLY H . 50179 1 26 . 1 . 1 16 16 GLY N N 15 109.612 0.000 . 1 . . . . . 15 GLY N . 50179 1 27 . 1 . 1 17 17 LYS H H 1 9.375 0.000 . 1 . . . . . 16 LYS H . 50179 1 28 . 1 . 1 17 17 LYS N N 15 125.261 0.000 . 1 . . . . . 16 LYS N . 50179 1 29 . 1 . 1 18 18 THR H H 1 8.794 0.000 . 1 . . . . . 17 THR H . 50179 1 30 . 1 . 1 18 18 THR N N 15 118.013 0.000 . 1 . . . . . 17 THR N . 50179 1 31 . 1 . 1 19 19 CYS H H 1 9.050 0.000 . 1 . . . . . 18 CYS H . 50179 1 32 . 1 . 1 19 19 CYS N N 15 119.636 0.000 . 1 . . . . . 18 CYS N . 50179 1 33 . 1 . 1 20 20 LEU H H 1 8.121 0.000 . 1 . . . . . 19 LEU H . 50179 1 34 . 1 . 1 20 20 LEU N N 15 120.948 0.000 . 1 . . . . . 19 LEU N . 50179 1 35 . 1 . 1 21 21 LEU H H 1 7.559 0.000 . 1 . . . . . 20 LEU H . 50179 1 36 . 1 . 1 21 21 LEU N N 15 119.073 0.000 . 1 . . . . . 20 LEU N . 50179 1 37 . 1 . 1 22 22 ILE H H 1 8.650 0.000 . 1 . . . . . 21 ILE H . 50179 1 38 . 1 . 1 22 22 ILE N N 15 121.268 0.000 . 1 . . . . . 21 ILE N . 50179 1 39 . 1 . 1 23 23 SER H H 1 8.847 0.000 . 1 . . . . . 22 SER H . 50179 1 40 . 1 . 1 23 23 SER N N 15 119.528 0.000 . 1 . . . . . 22 SER N . 50179 1 41 . 1 . 1 24 24 TYR H H 1 7.951 0.000 . 1 . . . . . 23 TYR H . 50179 1 42 . 1 . 1 24 24 TYR N N 15 117.823 0.000 . 1 . . . . . 23 TYR N . 50179 1 43 . 1 . 1 25 25 THR H H 1 7.909 0.000 . 1 . . . . . 24 THR H . 50179 1 44 . 1 . 1 25 25 THR N N 15 105.607 0.000 . 1 . . . . . 24 THR N . 50179 1 45 . 1 . 1 26 26 THR H H 1 8.124 0.000 . 1 . . . . . 25 THR H . 50179 1 46 . 1 . 1 26 26 THR N N 15 109.887 0.000 . 1 . . . . . 25 THR N . 50179 1 47 . 1 . 1 27 27 ASN H H 1 7.799 0.000 . 1 . . . . . 26 ASN H . 50179 1 48 . 1 . 1 27 27 ASN N N 15 116.397 0.000 . 1 . . . . . 26 ASN N . 50179 1 49 . 1 . 1 44 44 THR H H 1 8.590 0.000 . 1 . . . . . 43 THR H . 50179 1 50 . 1 . 1 44 44 THR N N 15 121.353 0.000 . 1 . . . . . 43 THR N . 50179 1 51 . 1 . 1 47 47 ILE H H 1 9.165 0.000 . 1 . . . . . 46 ILE H . 50179 1 52 . 1 . 1 47 47 ILE N N 15 126.006 0.000 . 1 . . . . . 46 ILE N . 50179 1 53 . 1 . 1 49 49 GLY H H 1 8.592 0.000 . 1 . . . . . 48 GLY H . 50179 1 54 . 1 . 1 49 49 GLY N N 15 105.218 0.000 . 1 . . . . . 48 GLY N . 50179 1 55 . 1 . 1 50 50 GLU H H 1 7.761 0.000 . 1 . . . . . 49 GLU H . 50179 1 56 . 1 . 1 50 50 GLU N N 15 121.154 0.000 . 1 . . . . . 49 GLU N . 50179 1 57 . 1 . 1 52 52 TYR H H 1 9.322 0.000 . 1 . . . . . 51 TYR H . 50179 1 58 . 1 . 1 52 52 TYR N N 15 122.417 0.000 . 1 . . . . . 51 TYR N . 50179 1 59 . 1 . 1 53 53 THR H H 1 8.793 0.000 . 1 . . . . . 52 THR H . 50179 1 60 . 1 . 1 53 53 THR N N 15 118.066 0.000 . 1 . . . . . 52 THR N . 50179 1 61 . 1 . 1 54 54 LEU H H 1 9.504 0.000 . 1 . . . . . 53 LEU H . 50179 1 62 . 1 . 1 54 54 LEU N N 15 131.694 0.000 . 1 . . . . . 53 LEU N . 50179 1 63 . 1 . 1 55 55 GLY H H 1 9.665 0.000 . 1 . . . . . 54 GLY H . 50179 1 64 . 1 . 1 55 55 GLY N N 15 116.291 0.000 . 1 . . . . . 54 GLY N . 50179 1 65 . 1 . 1 56 56 LEU H H 1 8.820 0.000 . 1 . . . . . 55 LEU H . 50179 1 66 . 1 . 1 56 56 LEU N N 15 126.224 0.000 . 1 . . . . . 55 LEU N . 50179 1 67 . 1 . 1 57 57 PHE H H 1 9.303 0.000 . 1 . . . . . 56 PHE H . 50179 1 68 . 1 . 1 57 57 PHE N N 15 122.367 0.000 . 1 . . . . . 56 PHE N . 50179 1 69 . 1 . 1 59 59 THR H H 1 8.323 0.000 . 1 . . . . . 58 THR H . 50179 1 70 . 1 . 1 59 59 THR N N 15 119.660 0.000 . 1 . . . . . 58 THR N . 50179 1 71 . 1 . 1 60 60 ALA H H 1 8.266 0.000 . 1 . . . . . 59 ALA H . 50179 1 72 . 1 . 1 60 60 ALA N N 15 124.886 0.000 . 1 . . . . . 59 ALA N . 50179 1 73 . 1 . 1 61 61 GLY H H 1 8.164 0.000 . 1 . . . . . 60 GLY H . 50179 1 74 . 1 . 1 61 61 GLY N N 15 123.264 0.000 . 1 . . . . . 60 GLY N . 50179 1 75 . 1 . 1 62 62 LEU H H 1 8.281 0.000 . 1 . . . . . 61 LEU H . 50179 1 76 . 1 . 1 62 62 LEU N N 15 116.858 0.000 . 1 . . . . . 61 LEU N . 50179 1 77 . 1 . 1 63 63 GLU H H 1 9.056 0.000 . 1 . . . . . 62 GLU H . 50179 1 78 . 1 . 1 63 63 GLU N N 15 123.014 0.000 . 1 . . . . . 62 GLU N . 50179 1 79 . 1 . 1 64 64 ASP H H 1 8.431 0.000 . 1 . . . . . 63 ASP H . 50179 1 80 . 1 . 1 64 64 ASP N N 15 117.561 0.000 . 1 . . . . . 63 ASP N . 50179 1 81 . 1 . 1 71 71 LEU H H 1 7.395 0.000 . 1 . . . . . 70 LEU H . 50179 1 82 . 1 . 1 71 71 LEU N N 15 118.431 0.000 . 1 . . . . . 70 LEU N . 50179 1 83 . 1 . 1 72 72 SER H H 1 7.808 0.000 . 1 . . . . . 71 SER H . 50179 1 84 . 1 . 1 72 72 SER N N 15 112.059 0.000 . 1 . . . . . 71 SER N . 50179 1 85 . 1 . 1 73 73 TYR H H 1 7.253 0.000 . 1 . . . . . 72 TYR H . 50179 1 86 . 1 . 1 73 73 TYR N N 15 120.578 0.000 . 1 . . . . . 72 TYR N . 50179 1 87 . 1 . 1 75 75 GLN H H 1 9.038 0.000 . 1 . . . . . 74 GLN H . 50179 1 88 . 1 . 1 75 75 GLN N N 15 115.338 0.000 . 1 . . . . . 74 GLN N . 50179 1 89 . 1 . 1 76 76 THR H H 1 7.425 0.000 . 1 . . . . . 75 THR H . 50179 1 90 . 1 . 1 76 76 THR N N 15 117.120 0.000 . 1 . . . . . 75 THR N . 50179 1 91 . 1 . 1 77 77 ASP H H 1 8.889 0.000 . 1 . . . . . 76 ASP H . 50179 1 92 . 1 . 1 77 77 ASP N N 15 124.490 0.000 . 1 . . . . . 76 ASP N . 50179 1 93 . 1 . 1 78 78 VAL H H 1 7.570 0.000 . 1 . . . . . 77 VAL H . 50179 1 94 . 1 . 1 78 78 VAL N N 15 116.365 0.000 . 1 . . . . . 77 VAL N . 50179 1 95 . 1 . 1 79 79 PHE H H 1 8.442 0.000 . 1 . . . . . 78 PHE H . 50179 1 96 . 1 . 1 79 79 PHE N N 15 122.951 0.000 . 1 . . . . . 78 PHE N . 50179 1 97 . 1 . 1 80 80 LEU H H 1 9.032 0.000 . 1 . . . . . 79 LEU H . 50179 1 98 . 1 . 1 80 80 LEU N N 15 119.548 0.000 . 1 . . . . . 79 LEU N . 50179 1 99 . 1 . 1 81 81 VAL H H 1 8.841 0.000 . 1 . . . . . 80 VAL H . 50179 1 100 . 1 . 1 81 81 VAL N N 15 125.229 0.000 . 1 . . . . . 80 VAL N . 50179 1 101 . 1 . 1 82 82 CYS H H 1 9.011 0.000 . 1 . . . . . 81 CYS H . 50179 1 102 . 1 . 1 82 82 CYS N N 15 124.245 0.000 . 1 . . . . . 81 CYS N . 50179 1 103 . 1 . 1 83 83 PHE H H 1 8.903 0.000 . 1 . . . . . 82 PHE H . 50179 1 104 . 1 . 1 83 83 PHE N N 15 118.252 0.000 . 1 . . . . . 82 PHE N . 50179 1 105 . 1 . 1 84 84 SER H H 1 8.104 0.000 . 1 . . . . . 83 SER H . 50179 1 106 . 1 . 1 84 84 SER N N 15 113.963 0.000 . 1 . . . . . 83 SER N . 50179 1 107 . 1 . 1 85 85 VAL H H 1 8.727 0.000 . 1 . . . . . 84 VAL H . 50179 1 108 . 1 . 1 85 85 VAL N N 15 121.288 0.000 . 1 . . . . . 84 VAL N . 50179 1 109 . 1 . 1 86 86 VAL H H 1 7.620 0.000 . 1 . . . . . 85 VAL H . 50179 1 110 . 1 . 1 86 86 VAL N N 15 108.333 0.000 . 1 . . . . . 85 VAL N . 50179 1 111 . 1 . 1 87 87 SER H H 1 7.797 0.000 . 1 . . . . . 86 SER H . 50179 1 112 . 1 . 1 87 87 SER N N 15 113.087 0.000 . 1 . . . . . 86 SER N . 50179 1 113 . 1 . 1 90 90 SER H H 1 8.063 0.000 . 1 . . . . . 89 SER H . 50179 1 114 . 1 . 1 90 90 SER N N 15 121.076 0.000 . 1 . . . . . 89 SER N . 50179 1 115 . 1 . 1 91 91 PHE H H 1 7.466 0.000 . 1 . . . . . 90 PHE H . 50179 1 116 . 1 . 1 91 91 PHE N N 15 125.761 0.000 . 1 . . . . . 90 PHE N . 50179 1 117 . 1 . 1 92 92 GLU H H 1 8.174 0.000 . 1 . . . . . 91 GLU H . 50179 1 118 . 1 . 1 92 92 GLU N N 15 119.945 0.000 . 1 . . . . . 91 GLU N . 50179 1 119 . 1 . 1 93 93 ASN H H 1 8.129 0.000 . 1 . . . . . 92 ASN H . 50179 1 120 . 1 . 1 93 93 ASN N N 15 114.980 0.000 . 1 . . . . . 92 ASN N . 50179 1 121 . 1 . 1 94 94 VAL H H 1 7.897 0.000 . 1 . . . . . 93 VAL H . 50179 1 122 . 1 . 1 94 94 VAL N N 15 124.537 0.000 . 1 . . . . . 93 VAL N . 50179 1 123 . 1 . 1 95 95 LYS H H 1 6.629 0.000 . 1 . . . . . 94 LYS H . 50179 1 124 . 1 . 1 95 95 LYS N N 15 115.851 0.000 . 1 . . . . . 94 LYS N . 50179 1 125 . 1 . 1 96 96 GLU H H 1 7.727 0.000 . 1 . . . . . 95 GLU H . 50179 1 126 . 1 . 1 96 96 GLU N N 15 113.173 0.000 . 1 . . . . . 95 GLU N . 50179 1 127 . 1 . 1 97 97 LYS H H 1 8.107 0.000 . 1 . . . . . 96 LYS H . 50179 1 128 . 1 . 1 97 97 LYS N N 15 116.408 0.000 . 1 . . . . . 96 LYS N . 50179 1 129 . 1 . 1 98 98 TRP H H 1 7.769 0.000 . 1 . . . . . 97 TRP H . 50179 1 130 . 1 . 1 98 98 TRP HE1 H 1 11.662 0.000 . 1 . . . . . 97 TRP HE1 . 50179 1 131 . 1 . 1 98 98 TRP N N 15 120.684 0.000 . 1 . . . . . 97 TRP N . 50179 1 132 . 1 . 1 98 98 TRP NE1 N 15 133.600 0.000 . 1 . . . . . 97 TRP NE1 . 50179 1 133 . 1 . 1 99 99 VAL H H 1 8.631 0.000 . 1 . . . . . 98 VAL H . 50179 1 134 . 1 . 1 99 99 VAL N N 15 117.166 0.000 . 1 . . . . . 98 VAL N . 50179 1 135 . 1 . 1 101 101 GLU H H 1 7.567 0.000 . 1 . . . . . 100 GLU H . 50179 1 136 . 1 . 1 101 101 GLU N N 15 117.501 0.000 . 1 . . . . . 100 GLU N . 50179 1 137 . 1 . 1 102 102 ILE H H 1 8.227 0.000 . 1 . . . . . 101 ILE H . 50179 1 138 . 1 . 1 102 102 ILE N N 15 113.406 0.000 . 1 . . . . . 101 ILE N . 50179 1 139 . 1 . 1 103 103 THR H H 1 7.866 0.000 . 1 . . . . . 102 THR H . 50179 1 140 . 1 . 1 103 103 THR N N 15 113.201 0.000 . 1 . . . . . 102 THR N . 50179 1 141 . 1 . 1 104 104 HIS H H 1 7.572 0.000 . 1 . . . . . 103 HIS H . 50179 1 142 . 1 . 1 104 104 HIS N N 15 120.678 0.000 . 1 . . . . . 103 HIS N . 50179 1 143 . 1 . 1 105 105 HIS H H 1 7.159 0.000 . 1 . . . . . 104 HIS H . 50179 1 144 . 1 . 1 105 105 HIS N N 15 113.906 0.000 . 1 . . . . . 104 HIS N . 50179 1 145 . 1 . 1 106 106 CYS H H 1 8.504 0.000 . 1 . . . . . 105 CYS H . 50179 1 146 . 1 . 1 106 106 CYS N N 15 117.647 0.000 . 1 . . . . . 105 CYS N . 50179 1 147 . 1 . 1 108 108 LYS H H 1 8.790 0.000 . 1 . . . . . 107 LYS H . 50179 1 148 . 1 . 1 108 108 LYS N N 15 116.760 0.000 . 1 . . . . . 107 LYS N . 50179 1 149 . 1 . 1 109 109 THR H H 1 7.596 0.000 . 1 . . . . . 108 THR H . 50179 1 150 . 1 . 1 109 109 THR N N 15 121.066 0.000 . 1 . . . . . 108 THR N . 50179 1 151 . 1 . 1 111 111 PHE H H 1 8.248 0.000 . 1 . . . . . 110 PHE H . 50179 1 152 . 1 . 1 111 111 PHE N N 15 113.133 0.000 . 1 . . . . . 110 PHE N . 50179 1 153 . 1 . 1 112 112 LEU H H 1 8.708 0.000 . 1 . . . . . 111 LEU H . 50179 1 154 . 1 . 1 112 112 LEU N N 15 120.659 0.000 . 1 . . . . . 111 LEU N . 50179 1 155 . 1 . 1 113 113 LEU H H 1 8.085 0.000 . 1 . . . . . 112 LEU H . 50179 1 156 . 1 . 1 113 113 LEU N N 15 122.558 0.000 . 1 . . . . . 112 LEU N . 50179 1 157 . 1 . 1 114 114 VAL H H 1 9.269 0.000 . 1 . . . . . 113 VAL H . 50179 1 158 . 1 . 1 114 114 VAL N N 15 126.395 0.000 . 1 . . . . . 113 VAL N . 50179 1 159 . 1 . 1 115 115 GLY H H 1 8.777 0.000 . 1 . . . . . 114 GLY H . 50179 1 160 . 1 . 1 115 115 GLY N N 15 115.718 0.000 . 1 . . . . . 114 GLY N . 50179 1 161 . 1 . 1 116 116 THR H H 1 9.214 0.000 . 1 . . . . . 115 THR H . 50179 1 162 . 1 . 1 116 116 THR N N 15 116.041 0.000 . 1 . . . . . 115 THR N . 50179 1 163 . 1 . 1 117 117 GLN H H 1 9.445 0.000 . 1 . . . . . 116 GLN H . 50179 1 164 . 1 . 1 117 117 GLN N N 15 109.195 0.000 . 1 . . . . . 116 GLN N . 50179 1 165 . 1 . 1 118 118 ILE H H 1 7.645 0.000 . 1 . . . . . 117 ILE H . 50179 1 166 . 1 . 1 118 118 ILE N N 15 106.711 0.000 . 1 . . . . . 117 ILE N . 50179 1 167 . 1 . 1 119 119 ASP H H 1 8.781 0.000 . 1 . . . . . 118 ASP H . 50179 1 168 . 1 . 1 119 119 ASP N N 15 119.442 0.000 . 1 . . . . . 118 ASP N . 50179 1 169 . 1 . 1 120 120 LEU H H 1 7.926 0.000 . 1 . . . . . 119 LEU H . 50179 1 170 . 1 . 1 120 120 LEU N N 15 118.339 0.000 . 1 . . . . . 119 LEU N . 50179 1 171 . 1 . 1 121 121 ARG H H 1 7.284 0.000 . 1 . . . . . 120 ARG H . 50179 1 172 . 1 . 1 121 121 ARG N N 15 117.526 0.000 . 1 . . . . . 120 ARG N . 50179 1 173 . 1 . 1 122 122 ASP H H 1 7.158 0.000 . 1 . . . . . 121 ASP H . 50179 1 174 . 1 . 1 122 122 ASP N N 15 112.182 0.000 . 1 . . . . . 121 ASP N . 50179 1 175 . 1 . 1 123 123 ASP H H 1 7.281 0.000 . 1 . . . . . 122 ASP H . 50179 1 176 . 1 . 1 123 123 ASP N N 15 122.832 0.000 . 1 . . . . . 122 ASP N . 50179 1 177 . 1 . 1 125 125 SER H H 1 8.356 0.000 . 1 . . . . . 124 SER H . 50179 1 178 . 1 . 1 125 125 SER N N 15 113.114 0.000 . 1 . . . . . 124 SER N . 50179 1 179 . 1 . 1 126 126 THR H H 1 7.948 0.000 . 1 . . . . . 125 THR H . 50179 1 180 . 1 . 1 126 126 THR N N 15 122.485 0.000 . 1 . . . . . 125 THR N . 50179 1 181 . 1 . 1 127 127 ILE H H 1 8.257 0.000 . 1 . . . . . 126 ILE H . 50179 1 182 . 1 . 1 127 127 ILE N N 15 122.047 0.000 . 1 . . . . . 126 ILE N . 50179 1 183 . 1 . 1 128 128 GLU H H 1 8.274 0.000 . 1 . . . . . 127 GLU H . 50179 1 184 . 1 . 1 128 128 GLU N N 15 120.860 0.000 . 1 . . . . . 127 GLU N . 50179 1 185 . 1 . 1 129 129 LYS H H 1 7.933 0.000 . 1 . . . . . 128 LYS H . 50179 1 186 . 1 . 1 129 129 LYS N N 15 121.277 0.000 . 1 . . . . . 128 LYS N . 50179 1 187 . 1 . 1 130 130 LEU H H 1 8.155 0.000 . 1 . . . . . 129 LEU H . 50179 1 188 . 1 . 1 130 130 LEU N N 15 119.153 0.000 . 1 . . . . . 129 LEU N . 50179 1 189 . 1 . 1 131 131 ALA H H 1 8.525 0.000 . 1 . . . . . 130 ALA H . 50179 1 190 . 1 . 1 131 131 ALA N N 15 123.165 0.000 . 1 . . . . . 130 ALA N . 50179 1 191 . 1 . 1 132 132 LYS H H 1 8.074 0.000 . 1 . . . . . 131 LYS H . 50179 1 192 . 1 . 1 132 132 LYS N N 15 120.982 0.000 . 1 . . . . . 131 LYS N . 50179 1 193 . 1 . 1 133 133 ASN H H 1 7.437 0.000 . 1 . . . . . 132 ASN H . 50179 1 194 . 1 . 1 133 133 ASN N N 15 116.279 0.000 . 1 . . . . . 132 ASN N . 50179 1 195 . 1 . 1 134 134 LYS H H 1 8.129 0.000 . 1 . . . . . 133 LYS H . 50179 1 196 . 1 . 1 134 134 LYS N N 15 114.568 0.000 . 1 . . . . . 133 LYS N . 50179 1 197 . 1 . 1 135 135 GLN H H 1 8.123 0.000 . 1 . . . . . 134 GLN H . 50179 1 198 . 1 . 1 135 135 GLN N N 15 116.526 0.000 . 1 . . . . . 134 GLN N . 50179 1 199 . 1 . 1 136 136 LYS H H 1 8.004 0.000 . 1 . . . . . 135 LYS H . 50179 1 200 . 1 . 1 136 136 LYS N N 15 119.200 0.000 . 1 . . . . . 135 LYS N . 50179 1 201 . 1 . 1 138 138 ILE H H 1 9.167 0.000 . 1 . . . . . 137 ILE H . 50179 1 202 . 1 . 1 138 138 ILE N N 15 122.816 0.000 . 1 . . . . . 137 ILE N . 50179 1 203 . 1 . 1 139 139 THR H H 1 8.010 0.000 . 1 . . . . . 138 THR H . 50179 1 204 . 1 . 1 139 139 THR N N 15 119.097 0.000 . 1 . . . . . 138 THR N . 50179 1 205 . 1 . 1 141 141 GLU H H 1 8.593 0.000 . 1 . . . . . 140 GLU H . 50179 1 206 . 1 . 1 141 141 GLU N N 15 115.284 0.000 . 1 . . . . . 140 GLU N . 50179 1 207 . 1 . 1 142 142 THR H H 1 7.605 0.000 . 1 . . . . . 141 THR H . 50179 1 208 . 1 . 1 142 142 THR N N 15 118.874 0.000 . 1 . . . . . 141 THR N . 50179 1 209 . 1 . 1 143 143 ALA H H 1 7.596 0.000 . 1 . . . . . 142 ALA H . 50179 1 210 . 1 . 1 143 143 ALA N N 15 126.140 0.000 . 1 . . . . . 142 ALA N . 50179 1 211 . 1 . 1 144 144 GLU H H 1 8.812 0.000 . 1 . . . . . 143 GLU H . 50179 1 212 . 1 . 1 144 144 GLU N N 15 118.626 0.000 . 1 . . . . . 143 GLU N . 50179 1 213 . 1 . 1 145 145 LYS H H 1 7.329 0.000 . 1 . . . . . 144 LYS H . 50179 1 214 . 1 . 1 145 145 LYS N N 15 119.454 0.000 . 1 . . . . . 144 LYS N . 50179 1 215 . 1 . 1 146 146 LEU H H 1 7.340 0.000 . 1 . . . . . 145 LEU H . 50179 1 216 . 1 . 1 146 146 LEU N N 15 120.234 0.000 . 1 . . . . . 145 LEU N . 50179 1 217 . 1 . 1 147 147 ALA H H 1 8.501 0.000 . 1 . . . . . 146 ALA H . 50179 1 218 . 1 . 1 147 147 ALA N N 15 119.432 0.000 . 1 . . . . . 146 ALA N . 50179 1 219 . 1 . 1 148 148 ARG H H 1 7.748 0.000 . 1 . . . . . 147 ARG H . 50179 1 220 . 1 . 1 148 148 ARG N N 15 116.675 0.000 . 1 . . . . . 147 ARG N . 50179 1 221 . 1 . 1 149 149 ASP H H 1 8.480 0.000 . 1 . . . . . 148 ASP H . 50179 1 222 . 1 . 1 149 149 ASP N N 15 122.575 0.000 . 1 . . . . . 148 ASP N . 50179 1 223 . 1 . 1 150 150 LEU H H 1 8.390 0.000 . 1 . . . . . 149 LEU H . 50179 1 224 . 1 . 1 150 150 LEU N N 15 115.966 0.000 . 1 . . . . . 149 LEU N . 50179 1 225 . 1 . 1 151 151 LYS H H 1 7.654 0.000 . 1 . . . . . 150 LYS H . 50179 1 226 . 1 . 1 151 151 LYS N N 15 112.389 0.000 . 1 . . . . . 150 LYS N . 50179 1 227 . 1 . 1 152 152 ALA H H 1 8.269 0.000 . 1 . . . . . 151 ALA H . 50179 1 228 . 1 . 1 152 152 ALA N N 15 120.307 0.000 . 1 . . . . . 151 ALA N . 50179 1 229 . 1 . 1 153 153 VAL H H 1 8.748 0.000 . 1 . . . . . 152 VAL H . 50179 1 230 . 1 . 1 153 153 VAL N N 15 121.313 0.000 . 1 . . . . . 152 VAL N . 50179 1 231 . 1 . 1 154 154 LYS H H 1 6.907 0.000 . 1 . . . . . 153 LYS H . 50179 1 232 . 1 . 1 154 154 LYS N N 15 108.914 0.000 . 1 . . . . . 153 LYS N . 50179 1 233 . 1 . 1 155 155 TYR H H 1 8.641 0.000 . 1 . . . . . 154 TYR H . 50179 1 234 . 1 . 1 155 155 TYR N N 15 120.846 0.000 . 1 . . . . . 154 TYR N . 50179 1 235 . 1 . 1 156 156 VAL H H 1 8.311 0.000 . 1 . . . . . 155 VAL H . 50179 1 236 . 1 . 1 156 156 VAL N N 15 122.134 0.000 . 1 . . . . . 155 VAL N . 50179 1 237 . 1 . 1 157 157 GLU H H 1 8.055 0.000 . 1 . . . . . 156 GLU H . 50179 1 238 . 1 . 1 157 157 GLU N N 15 113.732 0.000 . 1 . . . . . 156 GLU N . 50179 1 239 . 1 . 1 158 158 CYS H H 1 8.816 0.000 . 1 . . . . . 157 CYS H . 50179 1 240 . 1 . 1 158 158 CYS N N 15 112.254 0.000 . 1 . . . . . 157 CYS N . 50179 1 241 . 1 . 1 159 159 SER H H 1 8.303 0.000 . 1 . . . . . 158 SER H . 50179 1 242 . 1 . 1 159 159 SER N N 15 110.800 0.000 . 1 . . . . . 158 SER N . 50179 1 243 . 1 . 1 160 160 ALA H H 1 9.393 0.000 . 1 . . . . . 159 ALA H . 50179 1 244 . 1 . 1 160 160 ALA N N 15 132.936 0.000 . 1 . . . . . 159 ALA N . 50179 1 245 . 1 . 1 161 161 LEU H H 1 7.476 0.000 . 1 . . . . . 160 LEU H . 50179 1 246 . 1 . 1 161 161 LEU N N 15 118.925 0.000 . 1 . . . . . 160 LEU N . 50179 1 247 . 1 . 1 162 162 THR H H 1 8.090 0.000 . 1 . . . . . 161 THR H . 50179 1 248 . 1 . 1 162 162 THR N N 15 106.730 0.000 . 1 . . . . . 161 THR N . 50179 1 249 . 1 . 1 163 163 GLN H H 1 7.457 0.000 . 1 . . . . . 162 GLN H . 50179 1 250 . 1 . 1 163 163 GLN N N 15 112.986 0.000 . 1 . . . . . 162 GLN N . 50179 1 251 . 1 . 1 164 164 LYS H H 1 7.885 0.000 . 1 . . . . . 163 LYS H . 50179 1 252 . 1 . 1 164 164 LYS N N 15 124.491 0.000 . 1 . . . . . 163 LYS N . 50179 1 253 . 1 . 1 165 165 GLY H H 1 9.183 0.000 . 1 . . . . . 164 GLY H . 50179 1 254 . 1 . 1 165 165 GLY N N 15 115.339 0.000 . 1 . . . . . 164 GLY N . 50179 1 255 . 1 . 1 166 166 LEU H H 1 7.458 0.000 . 1 . . . . . 165 LEU H . 50179 1 256 . 1 . 1 166 166 LEU N N 15 121.732 0.000 . 1 . . . . . 165 LEU N . 50179 1 257 . 1 . 1 167 167 LYS H H 1 8.619 0.000 . 1 . . . . . 166 LYS H . 50179 1 258 . 1 . 1 167 167 LYS N N 15 117.610 0.000 . 1 . . . . . 166 LYS N . 50179 1 259 . 1 . 1 168 168 ASN H H 1 8.111 0.000 . 1 . . . . . 167 ASN H . 50179 1 260 . 1 . 1 168 168 ASN N N 15 115.167 0.000 . 1 . . . . . 167 ASN N . 50179 1 261 . 1 . 1 169 169 VAL H H 1 7.352 0.000 . 1 . . . . . 168 VAL H . 50179 1 262 . 1 . 1 169 169 VAL N N 15 117.477 0.000 . 1 . . . . . 168 VAL N . 50179 1 263 . 1 . 1 170 170 PHE H H 1 6.449 0.000 . 1 . . . . . 169 PHE H . 50179 1 264 . 1 . 1 170 170 PHE N N 15 114.984 0.000 . 1 . . . . . 169 PHE N . 50179 1 265 . 1 . 1 171 171 ASP H H 1 8.278 0.000 . 1 . . . . . 170 ASP H . 50179 1 266 . 1 . 1 171 171 ASP N N 15 121.333 0.000 . 1 . . . . . 170 ASP N . 50179 1 267 . 1 . 1 172 172 GLU H H 1 8.083 0.000 . 1 . . . . . 171 GLU H . 50179 1 268 . 1 . 1 172 172 GLU N N 15 116.967 0.000 . 1 . . . . . 171 GLU N . 50179 1 269 . 1 . 1 173 173 ALA H H 1 8.081 0.000 . 1 . . . . . 172 ALA H . 50179 1 270 . 1 . 1 173 173 ALA N N 15 124.722 0.000 . 1 . . . . . 172 ALA N . 50179 1 271 . 1 . 1 174 174 ILE H H 1 7.985 0.000 . 1 . . . . . 173 ILE H . 50179 1 272 . 1 . 1 174 174 ILE N N 15 116.906 0.000 . 1 . . . . . 173 ILE N . 50179 1 273 . 1 . 1 175 175 LEU H H 1 7.566 0.000 . 1 . . . . . 174 LEU H . 50179 1 274 . 1 . 1 175 175 LEU N N 15 117.459 0.000 . 1 . . . . . 174 LEU N . 50179 1 275 . 1 . 1 176 176 ALA H H 1 7.857 0.000 . 1 . . . . . 175 ALA H . 50179 1 276 . 1 . 1 176 176 ALA N N 15 119.230 0.000 . 1 . . . . . 175 ALA N . 50179 1 277 . 1 . 1 177 177 ALA H H 1 7.751 0.000 . 1 . . . . . 176 ALA H . 50179 1 278 . 1 . 1 177 177 ALA N N 15 118.004 0.000 . 1 . . . . . 176 ALA N . 50179 1 279 . 1 . 1 178 178 LEU H H 1 7.525 0.000 . 1 . . . . . 177 LEU H . 50179 1 280 . 1 . 1 178 178 LEU N N 15 115.778 0.000 . 1 . . . . . 177 LEU N . 50179 1 281 . 1 . 1 179 179 GLU H H 1 7.572 0.000 . 1 . . . . . 178 GLU H . 50179 1 282 . 1 . 1 179 179 GLU N N 15 121.990 0.000 . 1 . . . . . 178 GLU N . 50179 1 stop_ save_