################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16704 _Assigned_chem_shift_list.ID 1 _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 3 '2D 1H-1H NOESY' . . . 16704 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.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 1 1 GLU HA H 1 4.010 0.001 . 1 . . . . 1 GLU HA . 16704 1 2 . 1 1 1 1 GLU HB2 H 1 2.126 0.003 . 1 . . . . 1 GLU HB2 . 16704 1 3 . 1 1 1 1 GLU HB3 H 1 2.126 0.003 . 1 . . . . 1 GLU HB3 . 16704 1 4 . 1 1 1 1 GLU HG2 H 1 2.514 0.000 . 1 . . . . 1 GLU HG2 . 16704 1 5 . 1 1 1 1 GLU HG3 H 1 2.514 0.000 . 1 . . . . 1 GLU HG3 . 16704 1 6 . 1 1 2 2 ALA H H 1 8.703 0.001 . 1 . . . . 2 ALA H . 16704 1 7 . 1 1 2 2 ALA HA H 1 4.312 0.002 . 1 . . . . 2 ALA HA . 16704 1 8 . 1 1 2 2 ALA HB1 H 1 1.361 0.007 . 1 . . . . 2 ALA QB . 16704 1 9 . 1 1 2 2 ALA HB2 H 1 1.361 0.007 . 1 . . . . 2 ALA QB . 16704 1 10 . 1 1 2 2 ALA HB3 H 1 1.361 0.007 . 1 . . . . 2 ALA QB . 16704 1 11 . 1 1 3 3 ALA H H 1 8.353 0.004 . 1 . . . . 3 ALA H . 16704 1 12 . 1 1 3 3 ALA HA H 1 4.295 0.005 . 1 . . . . 3 ALA HA . 16704 1 13 . 1 1 3 3 ALA HB1 H 1 1.335 0.003 . 1 . . . . 3 ALA QB . 16704 1 14 . 1 1 3 3 ALA HB2 H 1 1.335 0.003 . 1 . . . . 3 ALA QB . 16704 1 15 . 1 1 3 3 ALA HB3 H 1 1.335 0.003 . 1 . . . . 3 ALA QB . 16704 1 16 . 1 1 4 4 VAL H H 1 8.101 0.001 . 1 . . . . 4 VAL H . 16704 1 17 . 1 1 4 4 VAL HA H 1 3.948 0.004 . 1 . . . . 4 VAL HA . 16704 1 18 . 1 1 4 4 VAL HB H 1 1.941 0.003 . 1 . . . . 4 VAL HB . 16704 1 19 . 1 1 4 4 VAL HG11 H 1 0.852 0.001 . 2 . . . . 4 VAL QG1 . 16704 1 20 . 1 1 4 4 VAL HG12 H 1 0.852 0.001 . 2 . . . . 4 VAL QG1 . 16704 1 21 . 1 1 4 4 VAL HG13 H 1 0.852 0.001 . 2 . . . . 4 VAL QG1 . 16704 1 22 . 1 1 4 4 VAL HG21 H 1 0.816 0.003 . 2 . . . . 4 VAL QG2 . 16704 1 23 . 1 1 4 4 VAL HG22 H 1 0.816 0.003 . 2 . . . . 4 VAL QG2 . 16704 1 24 . 1 1 4 4 VAL HG23 H 1 0.816 0.003 . 2 . . . . 4 VAL QG2 . 16704 1 25 . 1 1 5 5 CYS H H 1 7.544 0.002 . 1 . . . . 5 CYS H . 16704 1 26 . 1 1 5 5 CYS HA H 1 4.516 0.002 . 1 . . . . 5 CYS HA . 16704 1 27 . 1 1 5 5 CYS HB2 H 1 0.474 0.005 . 1 . . . . 5 CYS HB2 . 16704 1 28 . 1 1 5 5 CYS HB3 H 1 1.923 0.004 . 1 . . . . 5 CYS HB3 . 16704 1 29 . 1 1 6 6 THR H H 1 8.236 0.004 . 1 . . . . 6 THR H . 16704 1 30 . 1 1 6 6 THR HA H 1 4.595 0.010 . 1 . . . . 6 THR HA . 16704 1 31 . 1 1 6 6 THR HB H 1 4.514 0.003 . 1 . . . . 6 THR HB . 16704 1 32 . 1 1 6 6 THR HG21 H 1 1.245 0.007 . 1 . . . . 6 THR QG2 . 16704 1 33 . 1 1 6 6 THR HG22 H 1 1.245 0.007 . 1 . . . . 6 THR QG2 . 16704 1 34 . 1 1 6 6 THR HG23 H 1 1.245 0.007 . 1 . . . . 6 THR QG2 . 16704 1 35 . 1 1 7 7 TYR H H 1 8.861 0.003 . 1 . . . . 7 TYR H . 16704 1 36 . 1 1 7 7 TYR HA H 1 4.883 0.000 . 1 . . . . 7 TYR HA . 16704 1 37 . 1 1 7 7 TYR HB2 H 1 3.565 0.004 . 2 . . . . 7 TYR HB2 . 16704 1 38 . 1 1 7 7 TYR HB3 H 1 2.790 0.002 . 2 . . . . 7 TYR HB3 . 16704 1 39 . 1 1 7 7 TYR HD1 H 1 6.819 0.002 . 1 . . . . 7 TYR HD1 . 16704 1 40 . 1 1 7 7 TYR HD2 H 1 6.819 0.002 . 1 . . . . 7 TYR HD2 . 16704 1 41 . 1 1 7 7 TYR HE1 H 1 7.263 0.002 . 1 . . . . 7 TYR HE1 . 16704 1 42 . 1 1 7 7 TYR HE2 H 1 7.263 0.002 . 1 . . . . 7 TYR HE2 . 16704 1 43 . 1 1 8 8 GLU H H 1 8.082 0.002 . 1 . . . . 8 GLU H . 16704 1 44 . 1 1 8 8 GLU HA H 1 4.178 0.003 . 1 . . . . 8 GLU HA . 16704 1 45 . 1 1 8 8 GLU HB2 H 1 2.085 0.002 . 2 . . . . 8 GLU HB2 . 16704 1 46 . 1 1 8 8 GLU HB3 H 1 1.997 0.002 . 2 . . . . 8 GLU HB3 . 16704 1 47 . 1 1 8 8 GLU HG2 H 1 2.367 0.003 . 2 . . . . 8 GLU HG2 . 16704 1 48 . 1 1 8 8 GLU HG3 H 1 2.277 0.003 . 2 . . . . 8 GLU HG3 . 16704 1 49 . 1 1 9 9 TRP H H 1 8.839 0.003 . 1 . . . . 9 TRP H . 16704 1 50 . 1 1 9 9 TRP HA H 1 4.988 0.004 . 1 . . . . 9 TRP HA . 16704 1 51 . 1 1 9 9 TRP HB2 H 1 3.384 0.004 . 1 . . . . 9 TRP HB2 . 16704 1 52 . 1 1 9 9 TRP HB3 H 1 3.205 0.003 . 1 . . . . 9 TRP HB3 . 16704 1 53 . 1 1 9 9 TRP HD1 H 1 7.230 0.003 . 1 . . . . 9 TRP HD1 . 16704 1 54 . 1 1 9 9 TRP HE1 H 1 10.257 0.003 . 1 . . . . 9 TRP HE1 . 16704 1 55 . 1 1 9 9 TRP HE3 H 1 7.727 0.002 . 1 . . . . 9 TRP HE3 . 16704 1 56 . 1 1 9 9 TRP HH2 H 1 7.079 0.003 . 1 . . . . 9 TRP HH2 . 16704 1 57 . 1 1 9 9 TRP HZ2 H 1 7.417 0.005 . 1 . . . . 9 TRP HZ2 . 16704 1 58 . 1 1 9 9 TRP HZ3 H 1 6.952 0.002 . 1 . . . . 9 TRP HZ3 . 16704 1 59 . 1 1 10 10 ASP H H 1 8.792 0.005 . 1 . . . . 10 ASP H . 16704 1 60 . 1 1 10 10 ASP HA H 1 4.701 0.003 . 1 . . . . 10 ASP HA . 16704 1 61 . 1 1 10 10 ASP HB2 H 1 2.671 0.004 . 1 . . . . 10 ASP HB2 . 16704 1 62 . 1 1 10 10 ASP HB3 H 1 2.572 0.002 . 1 . . . . 10 ASP HB3 . 16704 1 63 . 1 1 11 11 PRO HA H 1 4.042 0.002 . 1 . . . . 11 PRO HA . 16704 1 64 . 1 1 11 11 PRO HB2 H 1 0.972 0.003 . 1 . . . . 11 PRO HB2 . 16704 1 65 . 1 1 11 11 PRO HB3 H 1 0.571 0.004 . 1 . . . . 11 PRO HB3 . 16704 1 66 . 1 1 11 11 PRO HD2 H 1 3.199 0.001 . 1 . . . . 11 PRO HD2 . 16704 1 67 . 1 1 11 11 PRO HD3 H 1 1.111 0.002 . 1 . . . . 11 PRO HD3 . 16704 1 68 . 1 1 11 11 PRO HG2 H 1 1.508 0.002 . 1 . . . . 11 PRO HG2 . 16704 1 69 . 1 1 11 11 PRO HG3 H 1 1.411 0.003 . 1 . . . . 11 PRO HG3 . 16704 1 70 . 1 1 12 12 VAL H H 1 8.055 0.003 . 1 . . . . 12 VAL H . 16704 1 71 . 1 1 12 12 VAL HA H 1 4.436 0.001 . 1 . . . . 12 VAL HA . 16704 1 72 . 1 1 12 12 VAL HB H 1 1.825 0.003 . 1 . . . . 12 VAL HB . 16704 1 73 . 1 1 12 12 VAL HG11 H 1 0.844 0.005 . 1 . . . . 12 VAL QG1 . 16704 1 74 . 1 1 12 12 VAL HG12 H 1 0.844 0.005 . 1 . . . . 12 VAL QG1 . 16704 1 75 . 1 1 12 12 VAL HG13 H 1 0.844 0.005 . 1 . . . . 12 VAL QG1 . 16704 1 76 . 1 1 12 12 VAL HG21 H 1 0.588 0.003 . 1 . . . . 12 VAL QG2 . 16704 1 77 . 1 1 12 12 VAL HG22 H 1 0.588 0.003 . 1 . . . . 12 VAL QG2 . 16704 1 78 . 1 1 12 12 VAL HG23 H 1 0.588 0.003 . 1 . . . . 12 VAL QG2 . 16704 1 79 . 1 1 13 13 CYS H H 1 8.442 0.003 . 1 . . . . 13 CYS H . 16704 1 80 . 1 1 13 13 CYS HA H 1 5.222 0.001 . 1 . . . . 13 CYS HA . 16704 1 81 . 1 1 13 13 CYS HB2 H 1 2.384 0.003 . 1 . . . . 13 CYS HB2 . 16704 1 82 . 1 1 13 13 CYS HB3 H 1 1.324 0.004 . 1 . . . . 13 CYS HB3 . 16704 1 83 . 1 1 14 14 GLY H H 1 9.590 0.003 . 1 . . . . 14 GLY H . 16704 1 84 . 1 1 14 14 GLY HA2 H 1 4.658 0.000 . 1 . . . . 14 GLY HA2 . 16704 1 85 . 1 1 14 14 GLY HA3 H 1 4.145 0.004 . 1 . . . . 14 GLY HA3 . 16704 1 86 . 1 1 15 15 LYS H H 1 8.869 0.004 . 1 . . . . 15 LYS H . 16704 1 87 . 1 1 15 15 LYS HA H 1 4.010 0.004 . 1 . . . . 15 LYS HA . 16704 1 88 . 1 1 15 15 LYS HB2 H 1 1.729 0.005 . 1 . . . . 15 LYS HB2 . 16704 1 89 . 1 1 15 15 LYS HB3 H 1 1.995 0.002 . 1 . . . . 15 LYS HB3 . 16704 1 90 . 1 1 15 15 LYS HD2 H 1 1.664 0.003 . 1 . . . . 15 LYS HD2 . 16704 1 91 . 1 1 15 15 LYS HD3 H 1 1.616 0.004 . 1 . . . . 15 LYS HD3 . 16704 1 92 . 1 1 15 15 LYS HE2 H 1 2.988 0.005 . 1 . . . . 15 LYS HE2 . 16704 1 93 . 1 1 15 15 LYS HE3 H 1 2.988 0.005 . 1 . . . . 15 LYS HE3 . 16704 1 94 . 1 1 15 15 LYS HG2 H 1 1.232 0.003 . 1 . . . . 15 LYS HG2 . 16704 1 95 . 1 1 15 15 LYS HG3 H 1 1.232 0.003 . 1 . . . . 15 LYS HG3 . 16704 1 96 . 1 1 15 15 LYS HZ1 H 1 7.567 0.003 . 1 . . . . 15 LYS HZ1 . 16704 1 97 . 1 1 15 15 LYS HZ2 H 1 7.567 0.003 . 1 . . . . 15 LYS HZ2 . 16704 1 98 . 1 1 15 15 LYS HZ3 H 1 7.567 0.003 . 1 . . . . 15 LYS HZ3 . 16704 1 99 . 1 1 16 16 ASP H H 1 8.362 0.003 . 1 . . . . 16 ASP H . 16704 1 100 . 1 1 16 16 ASP HA H 1 4.404 0.001 . 1 . . . . 16 ASP HA . 16704 1 101 . 1 1 16 16 ASP HB2 H 1 2.677 0.003 . 1 . . . . 16 ASP HB2 . 16704 1 102 . 1 1 16 16 ASP HB3 H 1 2.985 0.005 . 1 . . . . 16 ASP HB3 . 16704 1 103 . 1 1 17 17 GLY H H 1 8.260 0.004 . 1 . . . . 17 GLY H . 16704 1 104 . 1 1 17 17 GLY HA2 H 1 4.146 0.002 . 2 . . . . 17 GLY HA2 . 16704 1 105 . 1 1 17 17 GLY HA3 H 1 3.654 0.003 . 2 . . . . 17 GLY HA3 . 16704 1 106 . 1 1 18 18 LYS H H 1 7.917 0.002 . 1 . . . . 18 LYS H . 16704 1 107 . 1 1 18 18 LYS HA H 1 4.403 0.001 . 1 . . . . 18 LYS HA . 16704 1 108 . 1 1 18 18 LYS HB2 H 1 1.402 0.003 . 1 . . . . 18 LYS HB2 . 16704 1 109 . 1 1 18 18 LYS HB3 H 1 1.799 0.003 . 1 . . . . 18 LYS HB3 . 16704 1 110 . 1 1 18 18 LYS HD2 H 1 1.543 0.001 . 1 . . . . 18 LYS HD2 . 16704 1 111 . 1 1 18 18 LYS HD3 H 1 1.448 0.004 . 1 . . . . 18 LYS HD3 . 16704 1 112 . 1 1 18 18 LYS HE2 H 1 2.795 0.003 . 1 . . . . 18 LYS HE2 . 16704 1 113 . 1 1 18 18 LYS HE3 H 1 2.795 0.003 . 1 . . . . 18 LYS HE3 . 16704 1 114 . 1 1 18 18 LYS HG2 H 1 0.929 0.003 . 1 . . . . 18 LYS HG2 . 16704 1 115 . 1 1 18 18 LYS HG3 H 1 1.099 0.005 . 1 . . . . 18 LYS HG3 . 16704 1 116 . 1 1 18 18 LYS HZ1 H 1 7.422 0.002 . 1 . . . . 18 LYS HZ1 . 16704 1 117 . 1 1 18 18 LYS HZ2 H 1 7.422 0.002 . 1 . . . . 18 LYS HZ2 . 16704 1 118 . 1 1 18 18 LYS HZ3 H 1 7.422 0.002 . 1 . . . . 18 LYS HZ3 . 16704 1 119 . 1 1 19 19 THR H H 1 8.382 0.003 . 1 . . . . 19 THR H . 16704 1 120 . 1 1 19 19 THR HA H 1 4.864 0.000 . 1 . . . . 19 THR HA . 16704 1 121 . 1 1 19 19 THR HB H 1 4.040 0.002 . 1 . . . . 19 THR HB . 16704 1 122 . 1 1 19 19 THR HG21 H 1 1.162 0.004 . 1 . . . . 19 THR QG2 . 16704 1 123 . 1 1 19 19 THR HG22 H 1 1.162 0.004 . 1 . . . . 19 THR QG2 . 16704 1 124 . 1 1 19 19 THR HG23 H 1 1.162 0.004 . 1 . . . . 19 THR QG2 . 16704 1 125 . 1 1 20 20 TYR H H 1 9.361 0.002 . 1 . . . . 20 TYR H . 16704 1 126 . 1 1 20 20 TYR HA H 1 4.501 0.004 . 1 . . . . 20 TYR HA . 16704 1 127 . 1 1 20 20 TYR HB2 H 1 2.884 0.004 . 1 . . . . 20 TYR HB2 . 16704 1 128 . 1 1 20 20 TYR HB3 H 1 2.560 0.003 . 1 . . . . 20 TYR HB3 . 16704 1 129 . 1 1 20 20 TYR HD1 H 1 6.981 0.002 . 1 . . . . 20 TYR HD1 . 16704 1 130 . 1 1 20 20 TYR HD2 H 1 6.981 0.002 . 1 . . . . 20 TYR HD2 . 16704 1 131 . 1 1 20 20 TYR HE1 H 1 7.136 0.004 . 1 . . . . 20 TYR HE1 . 16704 1 132 . 1 1 20 20 TYR HE2 H 1 7.136 0.004 . 1 . . . . 20 TYR HE2 . 16704 1 133 . 1 1 21 21 SER H H 1 9.116 0.003 . 1 . . . . 21 SER H . 16704 1 134 . 1 1 21 21 SER HA H 1 3.847 0.004 . 1 . . . . 21 SER HA . 16704 1 135 . 1 1 21 21 SER HB2 H 1 3.920 0.003 . 1 . . . . 21 SER HB2 . 16704 1 136 . 1 1 21 21 SER HB3 H 1 4.028 0.003 . 1 . . . . 21 SER HB3 . 16704 1 137 . 1 1 22 22 ASN H H 1 7.347 0.002 . 1 . . . . 22 ASN H . 16704 1 138 . 1 1 22 22 ASN HA H 1 4.837 0.001 . 1 . . . . 22 ASN HA . 16704 1 139 . 1 1 22 22 ASN HB2 H 1 3.041 0.003 . 1 . . . . 22 ASN HB2 . 16704 1 140 . 1 1 22 22 ASN HB3 H 1 3.416 0.004 . 1 . . . . 22 ASN HB3 . 16704 1 141 . 1 1 22 22 ASN HD21 H 1 6.609 0.003 . 1 . . . . 22 ASN HD21 . 16704 1 142 . 1 1 22 22 ASN HD22 H 1 8.289 0.003 . 1 . . . . 22 ASN HD22 . 16704 1 143 . 1 1 23 23 LEU H H 1 8.862 0.003 . 1 . . . . 23 LEU H . 16704 1 144 . 1 1 23 23 LEU HA H 1 3.843 0.004 . 1 . . . . 23 LEU HA . 16704 1 145 . 1 1 23 23 LEU HB2 H 1 1.660 0.003 . 1 . . . . 23 LEU HB2 . 16704 1 146 . 1 1 23 23 LEU HB3 H 1 1.546 0.002 . 1 . . . . 23 LEU HB3 . 16704 1 147 . 1 1 23 23 LEU HD11 H 1 0.849 0.002 . 1 . . . . 23 LEU QD1 . 16704 1 148 . 1 1 23 23 LEU HD12 H 1 0.849 0.002 . 1 . . . . 23 LEU QD1 . 16704 1 149 . 1 1 23 23 LEU HD13 H 1 0.849 0.002 . 1 . . . . 23 LEU QD1 . 16704 1 150 . 1 1 23 23 LEU HD21 H 1 0.907 0.002 . 1 . . . . 23 LEU QD2 . 16704 1 151 . 1 1 23 23 LEU HD22 H 1 0.907 0.002 . 1 . . . . 23 LEU QD2 . 16704 1 152 . 1 1 23 23 LEU HD23 H 1 0.907 0.002 . 1 . . . . 23 LEU QD2 . 16704 1 153 . 1 1 23 23 LEU HG H 1 1.749 0.003 . 1 . . . . 23 LEU HG . 16704 1 154 . 1 1 24 24 CYS H H 1 8.157 0.004 . 1 . . . . 24 CYS H . 16704 1 155 . 1 1 24 24 CYS HA H 1 4.093 0.005 . 1 . . . . 24 CYS HA . 16704 1 156 . 1 1 24 24 CYS HB2 H 1 2.702 0.003 . 1 . . . . 24 CYS HB2 . 16704 1 157 . 1 1 24 24 CYS HB3 H 1 3.102 0.003 . 1 . . . . 24 CYS HB3 . 16704 1 158 . 1 1 25 25 TRP H H 1 7.496 0.002 . 1 . . . . 25 TRP H . 16704 1 159 . 1 1 25 25 TRP HA H 1 4.305 0.002 . 1 . . . . 25 TRP HA . 16704 1 160 . 1 1 25 25 TRP HB2 H 1 3.755 0.005 . 1 . . . . 25 TRP HB2 . 16704 1 161 . 1 1 25 25 TRP HB3 H 1 3.208 0.005 . 1 . . . . 25 TRP HB3 . 16704 1 162 . 1 1 25 25 TRP HD1 H 1 7.290 0.002 . 1 . . . . 25 TRP HD1 . 16704 1 163 . 1 1 25 25 TRP HE1 H 1 9.344 0.003 . 1 . . . . 25 TRP HE1 . 16704 1 164 . 1 1 25 25 TRP HE3 H 1 7.806 0.004 . 1 . . . . 25 TRP HE3 . 16704 1 165 . 1 1 25 25 TRP HH2 H 1 7.160 0.005 . 1 . . . . 25 TRP HH2 . 16704 1 166 . 1 1 25 25 TRP HZ2 H 1 7.292 0.000 . 1 . . . . 25 TRP HZ2 . 16704 1 167 . 1 1 25 25 TRP HZ3 H 1 6.473 0.005 . 1 . . . . 25 TRP HZ3 . 16704 1 168 . 1 1 26 26 LEU H H 1 7.292 0.002 . 1 . . . . 26 LEU H . 16704 1 169 . 1 1 26 26 LEU HA H 1 2.930 0.002 . 1 . . . . 26 LEU HA . 16704 1 170 . 1 1 26 26 LEU HB2 H 1 1.751 0.003 . 1 . . . . 26 LEU HB2 . 16704 1 171 . 1 1 26 26 LEU HB3 H 1 0.967 0.003 . 1 . . . . 26 LEU HB3 . 16704 1 172 . 1 1 26 26 LEU HD11 H 1 0.592 0.003 . 1 . . . . 26 LEU QD1 . 16704 1 173 . 1 1 26 26 LEU HD12 H 1 0.592 0.003 . 1 . . . . 26 LEU QD1 . 16704 1 174 . 1 1 26 26 LEU HD13 H 1 0.592 0.003 . 1 . . . . 26 LEU QD1 . 16704 1 175 . 1 1 26 26 LEU HD21 H 1 0.346 0.003 . 1 . . . . 26 LEU QD2 . 16704 1 176 . 1 1 26 26 LEU HD22 H 1 0.346 0.003 . 1 . . . . 26 LEU QD2 . 16704 1 177 . 1 1 26 26 LEU HD23 H 1 0.346 0.003 . 1 . . . . 26 LEU QD2 . 16704 1 178 . 1 1 26 26 LEU HG H 1 1.303 0.004 . 1 . . . . 26 LEU HG . 16704 1 179 . 1 1 27 27 ASN H H 1 8.424 0.001 . 1 . . . . 27 ASN H . 16704 1 180 . 1 1 27 27 ASN HA H 1 4.388 0.002 . 1 . . . . 27 ASN HA . 16704 1 181 . 1 1 27 27 ASN HB2 H 1 2.759 0.003 . 1 . . . . 27 ASN HB2 . 16704 1 182 . 1 1 27 27 ASN HB3 H 1 2.877 0.003 . 1 . . . . 27 ASN HB3 . 16704 1 183 . 1 1 27 27 ASN HD21 H 1 7.545 0.001 . 1 . . . . 27 ASN HD21 . 16704 1 184 . 1 1 27 27 ASN HD22 H 1 6.602 0.002 . 1 . . . . 27 ASN HD22 . 16704 1 185 . 1 1 28 28 GLU H H 1 8.331 0.002 . 1 . . . . 28 GLU H . 16704 1 186 . 1 1 28 28 GLU HA H 1 3.999 0.004 . 1 . . . . 28 GLU HA . 16704 1 187 . 1 1 28 28 GLU HB2 H 1 2.237 0.003 . 1 . . . . 28 GLU HB2 . 16704 1 188 . 1 1 28 28 GLU HB3 H 1 2.116 0.002 . 1 . . . . 28 GLU HB3 . 16704 1 189 . 1 1 28 28 GLU HG2 H 1 2.496 0.000 . 1 . . . . 28 GLU HG2 . 16704 1 190 . 1 1 28 28 GLU HG3 H 1 2.420 0.003 . 1 . . . . 28 GLU HG3 . 16704 1 191 . 1 1 29 29 ALA H H 1 7.545 0.002 . 1 . . . . 29 ALA H . 16704 1 192 . 1 1 29 29 ALA HA H 1 4.328 0.004 . 1 . . . . 29 ALA HA . 16704 1 193 . 1 1 29 29 ALA HB1 H 1 1.667 0.004 . 1 . . . . 29 ALA QB . 16704 1 194 . 1 1 29 29 ALA HB2 H 1 1.667 0.004 . 1 . . . . 29 ALA QB . 16704 1 195 . 1 1 29 29 ALA HB3 H 1 1.667 0.004 . 1 . . . . 29 ALA QB . 16704 1 196 . 1 1 30 30 GLY H H 1 7.809 0.003 . 1 . . . . 30 GLY H . 16704 1 197 . 1 1 30 30 GLY HA2 H 1 3.912 0.001 . 2 . . . . 30 GLY HA2 . 16704 1 198 . 1 1 30 30 GLY HA3 H 1 3.827 0.003 . 2 . . . . 30 GLY HA3 . 16704 1 199 . 1 1 31 31 VAL H H 1 6.616 0.003 . 1 . . . . 31 VAL H . 16704 1 200 . 1 1 31 31 VAL HA H 1 4.076 0.005 . 1 . . . . 31 VAL HA . 16704 1 201 . 1 1 31 31 VAL HB H 1 1.742 0.002 . 1 . . . . 31 VAL HB . 16704 1 202 . 1 1 31 31 VAL HG11 H 1 1.087 0.003 . 1 . . . . 31 VAL QG1 . 16704 1 203 . 1 1 31 31 VAL HG12 H 1 1.087 0.003 . 1 . . . . 31 VAL QG1 . 16704 1 204 . 1 1 31 31 VAL HG13 H 1 1.087 0.003 . 1 . . . . 31 VAL QG1 . 16704 1 205 . 1 1 31 31 VAL HG21 H 1 0.904 0.003 . 1 . . . . 31 VAL QG2 . 16704 1 206 . 1 1 31 31 VAL HG22 H 1 0.904 0.003 . 1 . . . . 31 VAL QG2 . 16704 1 207 . 1 1 31 31 VAL HG23 H 1 0.904 0.003 . 1 . . . . 31 VAL QG2 . 16704 1 208 . 1 1 32 32 GLY H H 1 8.564 0.003 . 1 . . . . 32 GLY H . 16704 1 209 . 1 1 32 32 GLY HA2 H 1 3.896 0.005 . 1 . . . . 32 GLY HA2 . 16704 1 210 . 1 1 32 32 GLY HA3 H 1 3.677 0.004 . 1 . . . . 32 GLY HA3 . 16704 1 211 . 1 1 33 33 LEU H H 1 8.624 0.002 . 1 . . . . 33 LEU H . 16704 1 212 . 1 1 33 33 LEU HA H 1 3.950 0.002 . 1 . . . . 33 LEU HA . 16704 1 213 . 1 1 33 33 LEU HB2 H 1 1.207 0.002 . 1 . . . . 33 LEU HB2 . 16704 1 214 . 1 1 33 33 LEU HB3 H 1 1.791 0.003 . 1 . . . . 33 LEU HB3 . 16704 1 215 . 1 1 33 33 LEU HD11 H 1 0.786 0.003 . 1 . . . . 33 LEU QD1 . 16704 1 216 . 1 1 33 33 LEU HD12 H 1 0.786 0.003 . 1 . . . . 33 LEU QD1 . 16704 1 217 . 1 1 33 33 LEU HD13 H 1 0.786 0.003 . 1 . . . . 33 LEU QD1 . 16704 1 218 . 1 1 33 33 LEU HD21 H 1 0.591 0.002 . 1 . . . . 33 LEU QD2 . 16704 1 219 . 1 1 33 33 LEU HD22 H 1 0.591 0.002 . 1 . . . . 33 LEU QD2 . 16704 1 220 . 1 1 33 33 LEU HD23 H 1 0.591 0.002 . 1 . . . . 33 LEU QD2 . 16704 1 221 . 1 1 33 33 LEU HG H 1 1.027 0.002 . 1 . . . . 33 LEU HG . 16704 1 222 . 1 1 34 34 ASP H H 1 9.065 0.002 . 1 . . . . 34 ASP H . 16704 1 223 . 1 1 34 34 ASP HA H 1 4.806 0.000 . 1 . . . . 34 ASP HA . 16704 1 224 . 1 1 34 34 ASP HB2 H 1 2.399 0.005 . 1 . . . . 34 ASP HB2 . 16704 1 225 . 1 1 34 34 ASP HB3 H 1 2.005 0.003 . 1 . . . . 34 ASP HB3 . 16704 1 226 . 1 1 35 35 HIS H H 1 7.268 0.003 . 1 . . . . 35 HIS H . 16704 1 227 . 1 1 35 35 HIS HA H 1 4.894 0.000 . 1 . . . . 35 HIS HA . 16704 1 228 . 1 1 35 35 HIS HB2 H 1 3.233 0.002 . 1 . . . . 35 HIS HB2 . 16704 1 229 . 1 1 35 35 HIS HB3 H 1 3.444 0.003 . 1 . . . . 35 HIS HB3 . 16704 1 230 . 1 1 35 35 HIS HD2 H 1 7.181 0.002 . 1 . . . . 35 HIS HD2 . 16704 1 231 . 1 1 35 35 HIS HE1 H 1 8.433 0.000 . 1 . . . . 35 HIS HE1 . 16704 1 232 . 1 1 36 36 GLU H H 1 9.373 0.003 . 1 . . . . 36 GLU H . 16704 1 233 . 1 1 36 36 GLU HA H 1 4.203 0.004 . 1 . . . . 36 GLU HA . 16704 1 234 . 1 1 36 36 GLU HB2 H 1 2.093 0.001 . 1 . . . . 36 GLU HB2 . 16704 1 235 . 1 1 36 36 GLU HB3 H 1 2.250 0.003 . 1 . . . . 36 GLU HB3 . 16704 1 236 . 1 1 36 36 GLU HG2 H 1 2.465 0.002 . 1 . . . . 36 GLU HG2 . 16704 1 237 . 1 1 36 36 GLU HG3 H 1 2.390 0.002 . 1 . . . . 36 GLU HG3 . 16704 1 238 . 1 1 37 37 GLY H H 1 8.193 0.005 . 1 . . . . 37 GLY H . 16704 1 239 . 1 1 37 37 GLY HA2 H 1 3.478 0.004 . 1 . . . . 37 GLY HA2 . 16704 1 240 . 1 1 37 37 GLY HA3 H 1 4.491 0.004 . 1 . . . . 37 GLY HA3 . 16704 1 241 . 1 1 38 38 GLU H H 1 8.211 0.003 . 1 . . . . 38 GLU H . 16704 1 242 . 1 1 38 38 GLU HA H 1 3.873 0.004 . 1 . . . . 38 GLU HA . 16704 1 243 . 1 1 38 38 GLU HB2 H 1 1.845 0.001 . 1 . . . . 38 GLU HB2 . 16704 1 244 . 1 1 38 38 GLU HB3 H 1 2.084 0.002 . 1 . . . . 38 GLU HB3 . 16704 1 245 . 1 1 38 38 GLU HG2 H 1 2.311 0.003 . 1 . . . . 38 GLU HG2 . 16704 1 246 . 1 1 38 38 GLU HG3 H 1 2.311 0.003 . 1 . . . . 38 GLU HG3 . 16704 1 247 . 1 1 39 39 CYS H H 1 8.307 0.003 . 1 . . . . 39 CYS H . 16704 1 248 . 1 1 39 39 CYS HA H 1 4.406 0.003 . 1 . . . . 39 CYS HA . 16704 1 249 . 1 1 39 39 CYS HB2 H 1 2.495 0.001 . 1 . . . . 39 CYS HB2 . 16704 1 250 . 1 1 39 39 CYS HB3 H 1 2.978 0.004 . 1 . . . . 39 CYS HB3 . 16704 1 stop_ save_