################################### # 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_AMP-T35-Cdc42:GTP _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1_AMP-T35-Cdc42:GTP _Assigned_chem_shift_list.Entry_ID 50180 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name AMP-T35-Cdc42:GTP _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' . . . 50180 1 2 '3D 1H-15N NOESY' . . . 50180 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 8.408 0.000 . 1 . . . . . 2 GLN H . 50180 1 2 . 1 . 1 3 3 GLN HE21 H 1 7.562 0.000 . 1 . . . . . 2 GLN HE21 . 50180 1 3 . 1 . 1 3 3 GLN HE22 H 1 6.828 0.000 . 1 . . . . . 2 GLN HE22 . 50180 1 4 . 1 . 1 3 3 GLN N N 15 122.005 0.000 . 1 . . . . . 2 GLN N . 50180 1 5 . 1 . 1 3 3 GLN NE2 N 15 112.029 0.000 . 1 . . . . . 2 GLN NE2 . 50180 1 6 . 1 . 1 4 4 THR H H 1 8.334 0.000 . 1 . . . . . 3 THR H . 50180 1 7 . 1 . 1 4 4 THR N N 15 117.882 0.000 . 1 . . . . . 3 THR N . 50180 1 8 . 1 . 1 5 5 ILE H H 1 9.099 0.000 . 1 . . . . . 4 ILE H . 50180 1 9 . 1 . 1 5 5 ILE N N 15 127.927 0.000 . 1 . . . . . 4 ILE N . 50180 1 10 . 1 . 1 6 6 LYS H H 1 10.696 0.000 . 1 . . . . . 5 LYS H . 50180 1 11 . 1 . 1 6 6 LYS N N 15 131.988 0.000 . 1 . . . . . 5 LYS N . 50180 1 12 . 1 . 1 7 7 CYS H H 1 9.511 0.000 . 1 . . . . . 6 CYS H . 50180 1 13 . 1 . 1 7 7 CYS N N 15 131.971 0.000 . 1 . . . . . 6 CYS N . 50180 1 14 . 1 . 1 8 8 VAL H H 1 7.638 0.000 . 1 . . . . . 7 VAL H . 50180 1 15 . 1 . 1 8 8 VAL N N 15 129.106 0.000 . 1 . . . . . 7 VAL N . 50180 1 16 . 1 . 1 9 9 VAL H H 1 8.389 0.000 . 1 . . . . . 8 VAL H . 50180 1 17 . 1 . 1 9 9 VAL N N 15 127.105 0.000 . 1 . . . . . 8 VAL N . 50180 1 18 . 1 . 1 10 10 VAL H H 1 8.867 0.000 . 1 . . . . . 9 VAL H . 50180 1 19 . 1 . 1 10 10 VAL N N 15 116.900 0.000 . 1 . . . . . 9 VAL N . 50180 1 20 . 1 . 1 11 11 GLY H H 1 6.583 0.000 . 1 . . . . . 10 GLY H . 50180 1 21 . 1 . 1 11 11 GLY N N 15 107.414 0.000 . 1 . . . . . 10 GLY N . 50180 1 22 . 1 . 1 12 12 ASP H H 1 8.350 0.000 . 1 . . . . . 11 ASP H . 50180 1 23 . 1 . 1 12 12 ASP N N 15 118.532 0.000 . 1 . . . . . 11 ASP N . 50180 1 24 . 1 . 1 13 13 GLY H H 1 8.637 0.000 . 1 . . . . . 12 GLY H . 50180 1 25 . 1 . 1 13 13 GLY N N 15 105.409 0.000 . 1 . . . . . 12 GLY N . 50180 1 26 . 1 . 1 14 14 ALA H H 1 9.476 0.000 . 1 . . . . . 13 ALA H . 50180 1 27 . 1 . 1 14 14 ALA N N 15 123.193 0.000 . 1 . . . . . 13 ALA N . 50180 1 28 . 1 . 1 15 15 VAL H H 1 7.673 0.000 . 1 . . . . . 14 VAL H . 50180 1 29 . 1 . 1 15 15 VAL N N 15 110.800 0.000 . 1 . . . . . 14 VAL N . 50180 1 30 . 1 . 1 16 16 GLY H H 1 8.531 0.000 . 1 . . . . . 15 GLY H . 50180 1 31 . 1 . 1 16 16 GLY N N 15 109.807 0.000 . 1 . . . . . 15 GLY N . 50180 1 32 . 1 . 1 17 17 LYS H H 1 9.517 0.000 . 1 . . . . . 16 LYS H . 50180 1 33 . 1 . 1 17 17 LYS N N 15 126.203 0.000 . 1 . . . . . 16 LYS N . 50180 1 34 . 1 . 1 18 18 THR H H 1 9.212 0.000 . 1 . . . . . 17 THR H . 50180 1 35 . 1 . 1 18 18 THR N N 15 119.130 0.000 . 1 . . . . . 17 THR N . 50180 1 36 . 1 . 1 19 19 CYS H H 1 9.376 0.000 . 1 . . . . . 18 CYS H . 50180 1 37 . 1 . 1 19 19 CYS N N 15 119.432 0.000 . 1 . . . . . 18 CYS N . 50180 1 38 . 1 . 1 20 20 LEU H H 1 8.174 0.000 . 1 . . . . . 19 LEU H . 50180 1 39 . 1 . 1 20 20 LEU N N 15 121.863 0.000 . 1 . . . . . 19 LEU N . 50180 1 40 . 1 . 1 21 21 LEU H H 1 7.431 0.000 . 1 . . . . . 20 LEU H . 50180 1 41 . 1 . 1 21 21 LEU N N 15 118.627 0.000 . 1 . . . . . 20 LEU N . 50180 1 42 . 1 . 1 22 22 ILE H H 1 8.782 0.000 . 1 . . . . . 21 ILE H . 50180 1 43 . 1 . 1 22 22 ILE N N 15 121.698 0.000 . 1 . . . . . 21 ILE N . 50180 1 44 . 1 . 1 23 23 SER H H 1 8.868 0.000 . 1 . . . . . 22 SER H . 50180 1 45 . 1 . 1 23 23 SER N N 15 119.097 0.000 . 1 . . . . . 22 SER N . 50180 1 46 . 1 . 1 24 24 TYR H H 1 8.005 0.000 . 1 . . . . . 23 TYR H . 50180 1 47 . 1 . 1 24 24 TYR N N 15 117.782 0.000 . 1 . . . . . 23 TYR N . 50180 1 48 . 1 . 1 25 25 THR H H 1 7.767 0.000 . 1 . . . . . 24 THR H . 50180 1 49 . 1 . 1 25 25 THR N N 15 106.294 0.000 . 1 . . . . . 24 THR N . 50180 1 50 . 1 . 1 26 26 THR H H 1 8.129 0.000 . 1 . . . . . 25 THR H . 50180 1 51 . 1 . 1 26 26 THR N N 15 110.239 0.000 . 1 . . . . . 25 THR N . 50180 1 52 . 1 . 1 27 27 ASN H H 1 7.636 0.000 . 1 . . . . . 26 ASN H . 50180 1 53 . 1 . 1 27 27 ASN HD21 H 1 6.820 0.000 . 1 . . . . . 26 ASN HD21 . 50180 1 54 . 1 . 1 27 27 ASN HD22 H 1 7.446 0.000 . 1 . . . . . 26 ASN HD22 . 50180 1 55 . 1 . 1 27 27 ASN N N 15 116.194 0.000 . 1 . . . . . 26 ASN N . 50180 1 56 . 1 . 1 27 27 ASN ND2 N 15 112.634 0.000 . 1 . . . . . 26 ASN ND2 . 50180 1 57 . 1 . 1 28 28 LYS H H 1 7.690 0.000 . 1 . . . . . 27 LYS H . 50180 1 58 . 1 . 1 28 28 LYS N N 15 118.880 0.000 . 1 . . . . . 27 LYS N . 50180 1 59 . 1 . 1 29 29 PHE H H 1 8.547 0.000 . 1 . . . . . 28 PHE H . 50180 1 60 . 1 . 1 29 29 PHE N N 15 125.903 0.000 . 1 . . . . . 28 PHE N . 50180 1 61 . 1 . 1 31 31 SER H H 1 8.110 0.000 . 1 . . . . . 30 SER H . 50180 1 62 . 1 . 1 31 31 SER N N 15 117.509 0.000 . 1 . . . . . 30 SER N . 50180 1 63 . 1 . 1 39 39 ASP H H 1 7.748 0.000 . 1 . . . . . 38 ASP H . 50180 1 64 . 1 . 1 39 39 ASP N N 15 115.013 0.000 . 1 . . . . . 38 ASP N . 50180 1 65 . 1 . 1 40 40 ASN H H 1 7.971 0.000 . 1 . . . . . 39 ASN H . 50180 1 66 . 1 . 1 40 40 ASN HD21 H 1 6.608 0.000 . 1 . . . . . 39 ASN HD21 . 50180 1 67 . 1 . 1 40 40 ASN HD22 H 1 7.251 0.000 . 1 . . . . . 39 ASN HD22 . 50180 1 68 . 1 . 1 40 40 ASN N N 15 115.143 0.000 . 1 . . . . . 39 ASN N . 50180 1 69 . 1 . 1 40 40 ASN ND2 N 15 112.814 0.000 . 1 . . . . . 39 ASN ND2 . 50180 1 70 . 1 . 1 41 41 TYR H H 1 8.841 0.000 . 1 . . . . . 40 TYR H . 50180 1 71 . 1 . 1 41 41 TYR N N 15 117.274 0.000 . 1 . . . . . 40 TYR N . 50180 1 72 . 1 . 1 42 42 ALA H H 1 7.548 0.000 . 1 . . . . . 41 ALA H . 50180 1 73 . 1 . 1 42 42 ALA N N 15 122.263 0.000 . 1 . . . . . 41 ALA N . 50180 1 74 . 1 . 1 43 43 VAL H H 1 8.756 0.000 . 1 . . . . . 42 VAL H . 50180 1 75 . 1 . 1 43 43 VAL N N 15 118.328 0.000 . 1 . . . . . 42 VAL N . 50180 1 76 . 1 . 1 44 44 THR H H 1 8.609 0.000 . 1 . . . . . 43 THR H . 50180 1 77 . 1 . 1 44 44 THR N N 15 121.542 0.000 . 1 . . . . . 43 THR N . 50180 1 78 . 1 . 1 45 45 VAL H H 1 9.437 0.000 . 1 . . . . . 44 VAL H . 50180 1 79 . 1 . 1 45 45 VAL N N 15 127.619 0.000 . 1 . . . . . 44 VAL N . 50180 1 80 . 1 . 1 46 46 MET H H 1 8.493 0.000 . 1 . . . . . 45 MET H . 50180 1 81 . 1 . 1 46 46 MET N N 15 123.205 0.000 . 1 . . . . . 45 MET N . 50180 1 82 . 1 . 1 47 47 ILE H H 1 9.169 0.000 . 1 . . . . . 46 ILE H . 50180 1 83 . 1 . 1 47 47 ILE N N 15 125.955 0.000 . 1 . . . . . 46 ILE N . 50180 1 84 . 1 . 1 48 48 GLY H H 1 9.157 0.000 . 1 . . . . . 47 GLY H . 50180 1 85 . 1 . 1 48 48 GLY N N 15 121.490 0.000 . 1 . . . . . 47 GLY N . 50180 1 86 . 1 . 1 49 49 GLY H H 1 8.620 0.000 . 1 . . . . . 48 GLY H . 50180 1 87 . 1 . 1 49 49 GLY N N 15 105.361 0.000 . 1 . . . . . 48 GLY N . 50180 1 88 . 1 . 1 50 50 GLU H H 1 7.750 0.000 . 1 . . . . . 49 GLU H . 50180 1 89 . 1 . 1 50 50 GLU N N 15 121.196 0.000 . 1 . . . . . 49 GLU N . 50180 1 90 . 1 . 1 52 52 TYR H H 1 9.164 0.000 . 1 . . . . . 51 TYR H . 50180 1 91 . 1 . 1 52 52 TYR N N 15 121.470 0.000 . 1 . . . . . 51 TYR N . 50180 1 92 . 1 . 1 53 53 THR H H 1 8.810 0.000 . 1 . . . . . 52 THR H . 50180 1 93 . 1 . 1 53 53 THR N N 15 118.445 0.000 . 1 . . . . . 52 THR N . 50180 1 94 . 1 . 1 54 54 LEU H H 1 9.510 0.000 . 1 . . . . . 53 LEU H . 50180 1 95 . 1 . 1 54 54 LEU N N 15 131.771 0.000 . 1 . . . . . 53 LEU N . 50180 1 96 . 1 . 1 55 55 GLY H H 1 9.738 0.000 . 1 . . . . . 54 GLY H . 50180 1 97 . 1 . 1 55 55 GLY N N 15 116.172 0.000 . 1 . . . . . 54 GLY N . 50180 1 98 . 1 . 1 56 56 LEU H H 1 8.713 0.000 . 1 . . . . . 55 LEU H . 50180 1 99 . 1 . 1 56 56 LEU N N 15 125.872 0.000 . 1 . . . . . 55 LEU N . 50180 1 100 . 1 . 1 57 57 PHE H H 1 8.992 0.000 . 1 . . . . . 56 PHE H . 50180 1 101 . 1 . 1 57 57 PHE N N 15 123.529 0.000 . 1 . . . . . 56 PHE N . 50180 1 102 . 1 . 1 59 59 THR H H 1 8.342 0.000 . 1 . . . . . 58 THR H . 50180 1 103 . 1 . 1 59 59 THR N N 15 119.475 0.000 . 1 . . . . . 58 THR N . 50180 1 104 . 1 . 1 60 60 ALA H H 1 8.280 0.000 . 1 . . . . . 59 ALA H . 50180 1 105 . 1 . 1 60 60 ALA N N 15 124.914 0.000 . 1 . . . . . 59 ALA N . 50180 1 106 . 1 . 1 61 61 GLY H H 1 8.183 0.000 . 1 . . . . . 60 GLY H . 50180 1 107 . 1 . 1 61 61 GLY N N 15 123.055 0.000 . 1 . . . . . 60 GLY N . 50180 1 108 . 1 . 1 62 62 LEU H H 1 7.880 0.000 . 1 . . . . . 61 LEU H . 50180 1 109 . 1 . 1 62 62 LEU N N 15 116.877 0.000 . 1 . . . . . 61 LEU N . 50180 1 110 . 1 . 1 63 63 GLU H H 1 9.102 0.000 . 1 . . . . . 62 GLU H . 50180 1 111 . 1 . 1 63 63 GLU N N 15 122.592 0.000 . 1 . . . . . 62 GLU N . 50180 1 112 . 1 . 1 64 64 ASP H H 1 8.619 0.000 . 1 . . . . . 63 ASP H . 50180 1 113 . 1 . 1 64 64 ASP N N 15 118.158 0.000 . 1 . . . . . 63 ASP N . 50180 1 114 . 1 . 1 71 71 LEU H H 1 7.498 0.000 . 1 . . . . . 70 LEU H . 50180 1 115 . 1 . 1 71 71 LEU N N 15 118.842 0.000 . 1 . . . . . 70 LEU N . 50180 1 116 . 1 . 1 72 72 SER H H 1 7.990 0.000 . 1 . . . . . 71 SER H . 50180 1 117 . 1 . 1 72 72 SER N N 15 112.695 0.000 . 1 . . . . . 71 SER N . 50180 1 118 . 1 . 1 73 73 TYR H H 1 7.247 0.000 . 1 . . . . . 72 TYR H . 50180 1 119 . 1 . 1 73 73 TYR N N 15 120.260 0.000 . 1 . . . . . 72 TYR N . 50180 1 120 . 1 . 1 75 75 GLN H H 1 9.036 0.000 . 1 . . . . . 74 GLN H . 50180 1 121 . 1 . 1 75 75 GLN HE21 H 1 7.548 0.000 . 1 . . . . . 74 GLN HE21 . 50180 1 122 . 1 . 1 75 75 GLN HE22 H 1 6.820 0.000 . 1 . . . . . 74 GLN HE22 . 50180 1 123 . 1 . 1 75 75 GLN N N 15 115.238 0.000 . 1 . . . . . 74 GLN N . 50180 1 124 . 1 . 1 75 75 GLN NE2 N 15 112.111 0.000 . 1 . . . . . 74 GLN NE2 . 50180 1 125 . 1 . 1 76 76 THR H H 1 7.441 0.000 . 1 . . . . . 75 THR H . 50180 1 126 . 1 . 1 76 76 THR N N 15 117.073 0.000 . 1 . . . . . 75 THR N . 50180 1 127 . 1 . 1 77 77 ASP H H 1 8.891 0.000 . 1 . . . . . 76 ASP H . 50180 1 128 . 1 . 1 77 77 ASP N N 15 124.711 0.000 . 1 . . . . . 76 ASP N . 50180 1 129 . 1 . 1 78 78 VAL H H 1 7.612 0.000 . 1 . . . . . 77 VAL H . 50180 1 130 . 1 . 1 78 78 VAL N N 15 116.660 0.000 . 1 . . . . . 77 VAL N . 50180 1 131 . 1 . 1 79 79 PHE H H 1 8.376 0.000 . 1 . . . . . 78 PHE H . 50180 1 132 . 1 . 1 79 79 PHE N N 15 122.716 0.000 . 1 . . . . . 78 PHE N . 50180 1 133 . 1 . 1 80 80 LEU H H 1 8.991 0.000 . 1 . . . . . 79 LEU H . 50180 1 134 . 1 . 1 80 80 LEU N N 15 119.623 0.000 . 1 . . . . . 79 LEU N . 50180 1 135 . 1 . 1 81 81 VAL H H 1 8.842 0.000 . 1 . . . . . 80 VAL H . 50180 1 136 . 1 . 1 81 81 VAL N N 15 125.190 0.000 . 1 . . . . . 80 VAL N . 50180 1 137 . 1 . 1 82 82 CYS H H 1 9.009 0.000 . 1 . . . . . 81 CYS H . 50180 1 138 . 1 . 1 82 82 CYS N N 15 124.405 0.000 . 1 . . . . . 81 CYS N . 50180 1 139 . 1 . 1 83 83 PHE H H 1 8.931 0.000 . 1 . . . . . 82 PHE H . 50180 1 140 . 1 . 1 83 83 PHE N N 15 118.317 0.000 . 1 . . . . . 82 PHE N . 50180 1 141 . 1 . 1 84 84 SER H H 1 8.126 0.000 . 1 . . . . . 83 SER H . 50180 1 142 . 1 . 1 84 84 SER N N 15 113.994 0.000 . 1 . . . . . 83 SER N . 50180 1 143 . 1 . 1 85 85 VAL H H 1 8.650 0.000 . 1 . . . . . 84 VAL H . 50180 1 144 . 1 . 1 85 85 VAL N N 15 121.140 0.000 . 1 . . . . . 84 VAL N . 50180 1 145 . 1 . 1 86 86 VAL H H 1 7.617 0.000 . 1 . . . . . 85 VAL H . 50180 1 146 . 1 . 1 86 86 VAL N N 15 108.337 0.000 . 1 . . . . . 85 VAL N . 50180 1 147 . 1 . 1 87 87 SER H H 1 7.820 0.000 . 1 . . . . . 86 SER H . 50180 1 148 . 1 . 1 87 87 SER N N 15 113.227 0.000 . 1 . . . . . 86 SER N . 50180 1 149 . 1 . 1 90 90 SER H H 1 8.069 0.000 . 1 . . . . . 89 SER H . 50180 1 150 . 1 . 1 90 90 SER N N 15 121.250 0.000 . 1 . . . . . 89 SER N . 50180 1 151 . 1 . 1 91 91 PHE H H 1 7.479 0.000 . 1 . . . . . 90 PHE H . 50180 1 152 . 1 . 1 91 91 PHE N N 15 125.736 0.000 . 1 . . . . . 90 PHE N . 50180 1 153 . 1 . 1 92 92 GLU H H 1 8.187 0.000 . 1 . . . . . 91 GLU H . 50180 1 154 . 1 . 1 92 92 GLU N N 15 119.970 0.000 . 1 . . . . . 91 GLU N . 50180 1 155 . 1 . 1 93 93 ASN H H 1 8.137 0.000 . 1 . . . . . 92 ASN H . 50180 1 156 . 1 . 1 93 93 ASN HD21 H 1 6.759 0.000 . 1 . . . . . 92 ASN HD21 . 50180 1 157 . 1 . 1 93 93 ASN HD22 H 1 10.273 0.000 . 1 . . . . . 92 ASN HD22 . 50180 1 158 . 1 . 1 93 93 ASN N N 15 114.902 0.000 . 1 . . . . . 92 ASN N . 50180 1 159 . 1 . 1 93 93 ASN ND2 N 15 116.730 0.000 . 1 . . . . . 92 ASN ND2 . 50180 1 160 . 1 . 1 94 94 VAL H H 1 7.886 0.000 . 1 . . . . . 93 VAL H . 50180 1 161 . 1 . 1 94 94 VAL N N 15 124.538 0.000 . 1 . . . . . 93 VAL N . 50180 1 162 . 1 . 1 95 95 LYS H H 1 6.684 0.000 . 1 . . . . . 94 LYS H . 50180 1 163 . 1 . 1 95 95 LYS N N 15 115.807 0.000 . 1 . . . . . 94 LYS N . 50180 1 164 . 1 . 1 96 96 GLU H H 1 7.665 0.000 . 1 . . . . . 95 GLU H . 50180 1 165 . 1 . 1 96 96 GLU N N 15 113.158 0.000 . 1 . . . . . 95 GLU N . 50180 1 166 . 1 . 1 97 97 LYS H H 1 8.105 0.000 . 1 . . . . . 96 LYS H . 50180 1 167 . 1 . 1 97 97 LYS N N 15 116.355 0.000 . 1 . . . . . 96 LYS N . 50180 1 168 . 1 . 1 98 98 TRP H H 1 7.748 0.000 . 1 . . . . . 97 TRP H . 50180 1 169 . 1 . 1 98 98 TRP HE1 H 1 11.703 0.000 . 1 . . . . . 97 TRP HE1 . 50180 1 170 . 1 . 1 98 98 TRP N N 15 120.700 0.000 . 1 . . . . . 97 TRP N . 50180 1 171 . 1 . 1 98 98 TRP NE1 N 15 133.817 0.000 . 1 . . . . . 97 TRP NE1 . 50180 1 172 . 1 . 1 99 99 VAL H H 1 8.616 0.000 . 1 . . . . . 98 VAL H . 50180 1 173 . 1 . 1 99 99 VAL N N 15 117.319 0.000 . 1 . . . . . 98 VAL N . 50180 1 174 . 1 . 1 101 101 GLU H H 1 7.566 0.000 . 1 . . . . . 100 GLU H . 50180 1 175 . 1 . 1 101 101 GLU N N 15 117.662 0.000 . 1 . . . . . 100 GLU N . 50180 1 176 . 1 . 1 102 102 ILE H H 1 8.247 0.000 . 1 . . . . . 101 ILE H . 50180 1 177 . 1 . 1 102 102 ILE N N 15 113.455 0.000 . 1 . . . . . 101 ILE N . 50180 1 178 . 1 . 1 103 103 THR H H 1 7.865 0.000 . 1 . . . . . 102 THR H . 50180 1 179 . 1 . 1 103 103 THR N N 15 113.492 0.000 . 1 . . . . . 102 THR N . 50180 1 180 . 1 . 1 104 104 HIS H H 1 7.585 0.000 . 1 . . . . . 103 HIS H . 50180 1 181 . 1 . 1 104 104 HIS N N 15 120.462 0.000 . 1 . . . . . 103 HIS N . 50180 1 182 . 1 . 1 105 105 HIS H H 1 7.183 0.000 . 1 . . . . . 104 HIS H . 50180 1 183 . 1 . 1 105 105 HIS N N 15 113.883 0.000 . 1 . . . . . 104 HIS N . 50180 1 184 . 1 . 1 106 106 CYS H H 1 8.509 0.000 . 1 . . . . . 105 CYS H . 50180 1 185 . 1 . 1 106 106 CYS N N 15 117.722 0.000 . 1 . . . . . 105 CYS N . 50180 1 186 . 1 . 1 108 108 LYS H H 1 8.814 0.000 . 1 . . . . . 107 LYS H . 50180 1 187 . 1 . 1 108 108 LYS N N 15 116.728 0.000 . 1 . . . . . 107 LYS N . 50180 1 188 . 1 . 1 109 109 THR H H 1 7.629 0.000 . 1 . . . . . 108 THR H . 50180 1 189 . 1 . 1 109 109 THR N N 15 120.971 0.000 . 1 . . . . . 108 THR N . 50180 1 190 . 1 . 1 111 111 PHE H H 1 8.224 0.000 . 1 . . . . . 110 PHE H . 50180 1 191 . 1 . 1 111 111 PHE N N 15 112.883 0.000 . 1 . . . . . 110 PHE N . 50180 1 192 . 1 . 1 112 112 LEU H H 1 8.688 0.000 . 1 . . . . . 111 LEU H . 50180 1 193 . 1 . 1 112 112 LEU N N 15 120.431 0.000 . 1 . . . . . 111 LEU N . 50180 1 194 . 1 . 1 113 113 LEU H H 1 8.093 0.000 . 1 . . . . . 112 LEU H . 50180 1 195 . 1 . 1 113 113 LEU N N 15 122.587 0.000 . 1 . . . . . 112 LEU N . 50180 1 196 . 1 . 1 114 114 VAL H H 1 9.244 0.000 . 1 . . . . . 113 VAL H . 50180 1 197 . 1 . 1 114 114 VAL N N 15 126.436 0.000 . 1 . . . . . 113 VAL N . 50180 1 198 . 1 . 1 115 115 GLY H H 1 8.792 0.000 . 1 . . . . . 114 GLY H . 50180 1 199 . 1 . 1 115 115 GLY N N 15 115.781 0.000 . 1 . . . . . 114 GLY N . 50180 1 200 . 1 . 1 116 116 THR H H 1 9.260 0.000 . 1 . . . . . 115 THR H . 50180 1 201 . 1 . 1 116 116 THR N N 15 116.190 0.000 . 1 . . . . . 115 THR N . 50180 1 202 . 1 . 1 117 117 GLN H H 1 9.393 0.000 . 1 . . . . . 116 GLN H . 50180 1 203 . 1 . 1 117 117 GLN N N 15 109.218 0.000 . 1 . . . . . 116 GLN N . 50180 1 204 . 1 . 1 118 118 ILE H H 1 7.657 0.000 . 1 . . . . . 117 ILE H . 50180 1 205 . 1 . 1 118 118 ILE N N 15 106.624 0.000 . 1 . . . . . 117 ILE N . 50180 1 206 . 1 . 1 119 119 ASP H H 1 8.744 0.000 . 1 . . . . . 118 ASP H . 50180 1 207 . 1 . 1 119 119 ASP N N 15 119.688 0.000 . 1 . . . . . 118 ASP N . 50180 1 208 . 1 . 1 120 120 LEU H H 1 7.945 0.000 . 1 . . . . . 119 LEU H . 50180 1 209 . 1 . 1 120 120 LEU N N 15 118.428 0.000 . 1 . . . . . 119 LEU N . 50180 1 210 . 1 . 1 121 121 ARG H H 1 7.291 0.000 . 1 . . . . . 120 ARG H . 50180 1 211 . 1 . 1 121 121 ARG N N 15 117.376 0.000 . 1 . . . . . 120 ARG N . 50180 1 212 . 1 . 1 122 122 ASP H H 1 7.112 0.000 . 1 . . . . . 121 ASP H . 50180 1 213 . 1 . 1 122 122 ASP N N 15 112.223 0.000 . 1 . . . . . 121 ASP N . 50180 1 214 . 1 . 1 123 123 ASP H H 1 7.276 0.000 . 1 . . . . . 122 ASP H . 50180 1 215 . 1 . 1 123 123 ASP N N 15 122.761 0.000 . 1 . . . . . 122 ASP N . 50180 1 216 . 1 . 1 125 125 SER H H 1 8.337 0.000 . 1 . . . . . 124 SER H . 50180 1 217 . 1 . 1 125 125 SER N N 15 113.079 0.000 . 1 . . . . . 124 SER N . 50180 1 218 . 1 . 1 126 126 THR H H 1 7.948 0.000 . 1 . . . . . 125 THR H . 50180 1 219 . 1 . 1 126 126 THR N N 15 122.420 0.000 . 1 . . . . . 125 THR N . 50180 1 220 . 1 . 1 127 127 ILE H H 1 8.253 0.000 . 1 . . . . . 126 ILE H . 50180 1 221 . 1 . 1 127 127 ILE N N 15 122.027 0.000 . 1 . . . . . 126 ILE N . 50180 1 222 . 1 . 1 128 128 GLU H H 1 8.274 0.000 . 1 . . . . . 127 GLU H . 50180 1 223 . 1 . 1 128 128 GLU N N 15 120.869 0.000 . 1 . . . . . 127 GLU N . 50180 1 224 . 1 . 1 129 129 LYS H H 1 7.933 0.000 . 1 . . . . . 128 LYS H . 50180 1 225 . 1 . 1 129 129 LYS N N 15 121.258 0.000 . 1 . . . . . 128 LYS N . 50180 1 226 . 1 . 1 130 130 LEU H H 1 8.169 0.000 . 1 . . . . . 129 LEU H . 50180 1 227 . 1 . 1 130 130 LEU N N 15 119.158 0.000 . 1 . . . . . 129 LEU N . 50180 1 228 . 1 . 1 131 131 ALA H H 1 8.516 0.000 . 1 . . . . . 130 ALA H . 50180 1 229 . 1 . 1 131 131 ALA N N 15 123.150 0.000 . 1 . . . . . 130 ALA N . 50180 1 230 . 1 . 1 132 132 LYS H H 1 8.084 0.000 . 1 . . . . . 131 LYS H . 50180 1 231 . 1 . 1 132 132 LYS N N 15 120.963 0.000 . 1 . . . . . 131 LYS N . 50180 1 232 . 1 . 1 133 133 ASN H H 1 7.440 0.000 . 1 . . . . . 132 ASN H . 50180 1 233 . 1 . 1 133 133 ASN HD21 H 1 6.936 0.000 . 1 . . . . . 132 ASN HD21 . 50180 1 234 . 1 . 1 133 133 ASN HD22 H 1 7.440 0.000 . 1 . . . . . 132 ASN HD22 . 50180 1 235 . 1 . 1 133 133 ASN N N 15 116.278 0.000 . 1 . . . . . 132 ASN N . 50180 1 236 . 1 . 1 133 133 ASN ND2 N 15 112.732 0.000 . 1 . . . . . 132 ASN ND2 . 50180 1 237 . 1 . 1 134 134 LYS H H 1 8.133 0.000 . 1 . . . . . 133 LYS H . 50180 1 238 . 1 . 1 134 134 LYS N N 15 114.567 0.000 . 1 . . . . . 133 LYS N . 50180 1 239 . 1 . 1 135 135 GLN H H 1 8.140 0.000 . 1 . . . . . 134 GLN H . 50180 1 240 . 1 . 1 135 135 GLN HE21 H 1 6.841 0.000 . 1 . . . . . 134 GLN HE21 . 50180 1 241 . 1 . 1 135 135 GLN HE22 H 1 7.492 0.000 . 1 . . . . . 134 GLN HE22 . 50180 1 242 . 1 . 1 135 135 GLN N N 15 116.550 0.000 . 1 . . . . . 134 GLN N . 50180 1 243 . 1 . 1 135 135 GLN NE2 N 15 110.704 0.000 . 1 . . . . . 134 GLN NE2 . 50180 1 244 . 1 . 1 136 136 LYS H H 1 8.007 0.000 . 1 . . . . . 135 LYS H . 50180 1 245 . 1 . 1 136 136 LYS N N 15 119.172 0.000 . 1 . . . . . 135 LYS N . 50180 1 246 . 1 . 1 138 138 ILE H H 1 9.160 0.000 . 1 . . . . . 137 ILE H . 50180 1 247 . 1 . 1 138 138 ILE N N 15 122.795 0.000 . 1 . . . . . 137 ILE N . 50180 1 248 . 1 . 1 139 139 THR H H 1 8.011 0.000 . 1 . . . . . 138 THR H . 50180 1 249 . 1 . 1 139 139 THR N N 15 119.065 0.000 . 1 . . . . . 138 THR N . 50180 1 250 . 1 . 1 141 141 GLU H H 1 8.592 0.000 . 1 . . . . . 140 GLU H . 50180 1 251 . 1 . 1 141 141 GLU N N 15 115.300 0.000 . 1 . . . . . 140 GLU N . 50180 1 252 . 1 . 1 142 142 THR H H 1 7.601 0.000 . 1 . . . . . 141 THR H . 50180 1 253 . 1 . 1 142 142 THR N N 15 118.824 0.000 . 1 . . . . . 141 THR N . 50180 1 254 . 1 . 1 143 143 ALA H H 1 7.609 0.000 . 1 . . . . . 142 ALA H . 50180 1 255 . 1 . 1 143 143 ALA N N 15 126.141 0.000 . 1 . . . . . 142 ALA N . 50180 1 256 . 1 . 1 144 144 GLU H H 1 8.815 0.000 . 1 . . . . . 143 GLU H . 50180 1 257 . 1 . 1 144 144 GLU N N 15 118.554 0.000 . 1 . . . . . 143 GLU N . 50180 1 258 . 1 . 1 145 145 LYS H H 1 7.316 0.000 . 1 . . . . . 144 LYS H . 50180 1 259 . 1 . 1 145 145 LYS N N 15 119.418 0.000 . 1 . . . . . 144 LYS N . 50180 1 260 . 1 . 1 146 146 LEU H H 1 7.336 0.000 . 1 . . . . . 145 LEU H . 50180 1 261 . 1 . 1 146 146 LEU N N 15 120.267 0.000 . 1 . . . . . 145 LEU N . 50180 1 262 . 1 . 1 147 147 ALA H H 1 8.513 0.000 . 1 . . . . . 146 ALA H . 50180 1 263 . 1 . 1 147 147 ALA N N 15 119.440 0.000 . 1 . . . . . 146 ALA N . 50180 1 264 . 1 . 1 148 148 ARG H H 1 7.744 0.000 . 1 . . . . . 147 ARG H . 50180 1 265 . 1 . 1 148 148 ARG N N 15 116.681 0.000 . 1 . . . . . 147 ARG N . 50180 1 266 . 1 . 1 149 149 ASP H H 1 8.466 0.000 . 1 . . . . . 148 ASP H . 50180 1 267 . 1 . 1 149 149 ASP N N 15 122.557 0.000 . 1 . . . . . 148 ASP N . 50180 1 268 . 1 . 1 150 150 LEU H H 1 8.383 0.000 . 1 . . . . . 149 LEU H . 50180 1 269 . 1 . 1 150 150 LEU N N 15 115.947 0.000 . 1 . . . . . 149 LEU N . 50180 1 270 . 1 . 1 151 151 LYS H H 1 7.663 0.000 . 1 . . . . . 150 LYS H . 50180 1 271 . 1 . 1 151 151 LYS N N 15 112.386 0.000 . 1 . . . . . 150 LYS N . 50180 1 272 . 1 . 1 152 152 ALA H H 1 8.268 0.000 . 1 . . . . . 151 ALA H . 50180 1 273 . 1 . 1 152 152 ALA N N 15 120.276 0.000 . 1 . . . . . 151 ALA N . 50180 1 274 . 1 . 1 153 153 VAL H H 1 8.740 0.000 . 1 . . . . . 152 VAL H . 50180 1 275 . 1 . 1 153 153 VAL N N 15 121.363 0.000 . 1 . . . . . 152 VAL N . 50180 1 276 . 1 . 1 154 154 LYS H H 1 6.921 0.000 . 1 . . . . . 153 LYS H . 50180 1 277 . 1 . 1 154 154 LYS N N 15 108.891 0.000 . 1 . . . . . 153 LYS N . 50180 1 278 . 1 . 1 155 155 TYR H H 1 8.639 0.000 . 1 . . . . . 154 TYR H . 50180 1 279 . 1 . 1 155 155 TYR N N 15 120.883 0.000 . 1 . . . . . 154 TYR N . 50180 1 280 . 1 . 1 156 156 VAL H H 1 8.306 0.000 . 1 . . . . . 155 VAL H . 50180 1 281 . 1 . 1 156 156 VAL N N 15 122.092 0.000 . 1 . . . . . 155 VAL N . 50180 1 282 . 1 . 1 157 157 GLU H H 1 8.043 0.000 . 1 . . . . . 156 GLU H . 50180 1 283 . 1 . 1 157 157 GLU N N 15 113.690 0.000 . 1 . . . . . 156 GLU N . 50180 1 284 . 1 . 1 158 158 CYS H H 1 8.858 0.000 . 1 . . . . . 157 CYS H . 50180 1 285 . 1 . 1 158 158 CYS N N 15 112.254 0.000 . 1 . . . . . 157 CYS N . 50180 1 286 . 1 . 1 159 159 SER H H 1 8.280 0.000 . 1 . . . . . 158 SER H . 50180 1 287 . 1 . 1 159 159 SER N N 15 110.810 0.000 . 1 . . . . . 158 SER N . 50180 1 288 . 1 . 1 160 160 ALA H H 1 9.349 0.000 . 1 . . . . . 159 ALA H . 50180 1 289 . 1 . 1 160 160 ALA N N 15 132.942 0.000 . 1 . . . . . 159 ALA N . 50180 1 290 . 1 . 1 161 161 LEU H H 1 7.404 0.000 . 1 . . . . . 160 LEU H . 50180 1 291 . 1 . 1 161 161 LEU N N 15 118.999 0.000 . 1 . . . . . 160 LEU N . 50180 1 292 . 1 . 1 162 162 THR H H 1 8.117 0.000 . 1 . . . . . 161 THR H . 50180 1 293 . 1 . 1 162 162 THR N N 15 106.783 0.000 . 1 . . . . . 161 THR N . 50180 1 294 . 1 . 1 163 163 GLN H H 1 7.493 0.000 . 1 . . . . . 162 GLN H . 50180 1 295 . 1 . 1 163 163 GLN HE21 H 1 6.541 0.000 . 1 . . . . . 162 GLN HE21 . 50180 1 296 . 1 . 1 163 163 GLN HE22 H 1 7.260 0.000 . 1 . . . . . 162 GLN HE22 . 50180 1 297 . 1 . 1 163 163 GLN N N 15 113.332 0.000 . 1 . . . . . 162 GLN N . 50180 1 298 . 1 . 1 163 163 GLN NE2 N 15 111.643 0.000 . 1 . . . . . 162 GLN NE2 . 50180 1 299 . 1 . 1 164 164 LYS H H 1 7.875 0.000 . 1 . . . . . 163 LYS H . 50180 1 300 . 1 . 1 164 164 LYS N N 15 124.396 0.000 . 1 . . . . . 163 LYS N . 50180 1 301 . 1 . 1 165 165 GLY H H 1 9.178 0.000 . 1 . . . . . 164 GLY H . 50180 1 302 . 1 . 1 165 165 GLY N N 15 115.129 0.000 . 1 . . . . . 164 GLY N . 50180 1 303 . 1 . 1 166 166 LEU H H 1 7.425 0.000 . 1 . . . . . 165 LEU H . 50180 1 304 . 1 . 1 166 166 LEU N N 15 121.585 0.000 . 1 . . . . . 165 LEU N . 50180 1 305 . 1 . 1 167 167 LYS H H 1 8.591 0.000 . 1 . . . . . 166 LYS H . 50180 1 306 . 1 . 1 167 167 LYS N N 15 117.410 0.000 . 1 . . . . . 166 LYS N . 50180 1 307 . 1 . 1 168 168 ASN H H 1 8.136 0.000 . 1 . . . . . 167 ASN H . 50180 1 308 . 1 . 1 168 168 ASN HD21 H 1 7.338 0.000 . 1 . . . . . 167 ASN HD21 . 50180 1 309 . 1 . 1 168 168 ASN HD22 H 1 7.990 0.000 . 1 . . . . . 167 ASN HD22 . 50180 1 310 . 1 . 1 168 168 ASN N N 15 115.401 0.000 . 1 . . . . . 167 ASN N . 50180 1 311 . 1 . 1 168 168 ASN ND2 N 15 114.330 0.000 . 1 . . . . . 167 ASN ND2 . 50180 1 312 . 1 . 1 169 169 VAL H H 1 7.373 0.000 . 1 . . . . . 168 VAL H . 50180 1 313 . 1 . 1 169 169 VAL N N 15 117.555 0.000 . 1 . . . . . 168 VAL N . 50180 1 314 . 1 . 1 170 170 PHE H H 1 6.410 0.000 . 1 . . . . . 169 PHE H . 50180 1 315 . 1 . 1 170 170 PHE N N 15 114.663 0.000 . 1 . . . . . 169 PHE N . 50180 1 316 . 1 . 1 171 171 ASP H H 1 8.015 0.000 . 1 . . . . . 170 ASP H . 50180 1 317 . 1 . 1 171 171 ASP N N 15 121.437 0.000 . 1 . . . . . 170 ASP N . 50180 1 318 . 1 . 1 172 172 GLU H H 1 8.076 0.000 . 1 . . . . . 171 GLU H . 50180 1 319 . 1 . 1 172 172 GLU N N 15 116.457 0.000 . 1 . . . . . 171 GLU N . 50180 1 320 . 1 . 1 173 173 ALA H H 1 7.982 0.000 . 1 . . . . . 172 ALA H . 50180 1 321 . 1 . 1 173 173 ALA N N 15 124.458 0.000 . 1 . . . . . 172 ALA N . 50180 1 322 . 1 . 1 174 174 ILE H H 1 7.739 0.000 . 1 . . . . . 173 ILE H . 50180 1 323 . 1 . 1 174 174 ILE N N 15 116.722 0.000 . 1 . . . . . 173 ILE N . 50180 1 324 . 1 . 1 175 175 LEU H H 1 7.686 0.000 . 1 . . . . . 174 LEU H . 50180 1 325 . 1 . 1 175 175 LEU N N 15 117.272 0.000 . 1 . . . . . 174 LEU N . 50180 1 326 . 1 . 1 176 176 ALA H H 1 7.930 0.000 . 1 . . . . . 175 ALA H . 50180 1 327 . 1 . 1 176 176 ALA N N 15 119.391 0.000 . 1 . . . . . 175 ALA N . 50180 1 328 . 1 . 1 177 177 ALA H H 1 7.704 0.000 . 1 . . . . . 176 ALA H . 50180 1 329 . 1 . 1 177 177 ALA N N 15 118.207 0.000 . 1 . . . . . 176 ALA N . 50180 1 330 . 1 . 1 178 178 LEU H H 1 7.485 0.000 . 1 . . . . . 177 LEU H . 50180 1 331 . 1 . 1 178 178 LEU N N 15 116.018 0.000 . 1 . . . . . 177 LEU N . 50180 1 332 . 1 . 1 179 179 GLU H H 1 7.550 0.000 . 1 . . . . . 178 GLU H . 50180 1 333 . 1 . 1 179 179 GLU N N 15 121.831 0.000 . 1 . . . . . 178 GLU N . 50180 1 stop_ save_