################################### # 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 17291 _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 1 NOESY . . . 17291 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 3 $XEASY . . 17291 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 TYR HA H 1 4.166 0.020 . 1 . . . . 1 TYR HA . 17291 1 2 . 1 1 1 1 TYR HB2 H 1 3.061 0.020 . 1 . . . . 1 TYR HB2 . 17291 1 3 . 1 1 1 1 TYR HB3 H 1 3.061 0.020 . 1 . . . . 1 TYR HB3 . 17291 1 4 . 1 1 1 1 TYR HD1 H 1 7.102 0.020 . 1 . . . . 1 TYR HD1 . 17291 1 5 . 1 1 1 1 TYR HD2 H 1 7.102 0.020 . 1 . . . . 1 TYR HD2 . 17291 1 6 . 1 1 1 1 TYR HE1 H 1 6.796 0.020 . 1 . . . . 1 TYR HE1 . 17291 1 7 . 1 1 1 1 TYR HE2 H 1 6.796 0.020 . 1 . . . . 1 TYR HE2 . 17291 1 8 . 1 1 2 2 LEU H H 1 8.299 0.020 . 1 . . . . 2 LEU H . 17291 1 9 . 1 1 2 2 LEU HA H 1 4.143 0.020 . 1 . . . . 2 LEU HA . 17291 1 10 . 1 1 2 2 LEU HB2 H 1 1.694 0.020 . 2 . . . . 2 LEU HB2 . 17291 1 11 . 1 1 2 2 LEU HB3 H 1 1.861 0.020 . 2 . . . . 2 LEU HB3 . 17291 1 12 . 1 1 2 2 LEU HG H 1 1.513 0.020 . 1 . . . . 2 LEU HG . 17291 1 13 . 1 1 2 2 LEU HD11 H 1 0.819 0.020 . 2 . . . . 2 LEU HD11 . 17291 1 14 . 1 1 2 2 LEU HD12 H 1 0.819 0.020 . 2 . . . . 2 LEU HD12 . 17291 1 15 . 1 1 2 2 LEU HD13 H 1 0.819 0.020 . 2 . . . . 2 LEU HD13 . 17291 1 16 . 1 1 2 2 LEU HD21 H 1 0.869 0.020 . 2 . . . . 2 LEU HD21 . 17291 1 17 . 1 1 2 2 LEU HD22 H 1 0.869 0.020 . 2 . . . . 2 LEU HD22 . 17291 1 18 . 1 1 2 2 LEU HD23 H 1 0.869 0.020 . 2 . . . . 2 LEU HD23 . 17291 1 19 . 1 1 3 3 GLU H H 1 9.166 0.020 . 1 . . . . 3 GLU H . 17291 1 20 . 1 1 3 3 GLU HA H 1 3.832 0.020 . 1 . . . . 3 GLU HA . 17291 1 21 . 1 1 3 3 GLU HB2 H 1 1.945 0.020 . 2 . . . . 3 GLU HB2 . 17291 1 22 . 1 1 3 3 GLU HB3 H 1 2.042 0.020 . 2 . . . . 3 GLU HB3 . 17291 1 23 . 1 1 3 3 GLU HG2 H 1 2.294 0.020 . 2 . . . . 3 GLU HG2 . 17291 1 24 . 1 1 3 3 GLU HG3 H 1 2.359 0.020 . 2 . . . . 3 GLU HG3 . 17291 1 25 . 1 1 4 4 ARG H H 1 8.300 0.020 . 1 . . . . 4 ARG H . 17291 1 26 . 1 1 4 4 ARG HA H 1 3.966 0.020 . 1 . . . . 4 ARG HA . 17291 1 27 . 1 1 4 4 ARG HB2 H 1 1.759 0.020 . 2 . . . . 4 ARG HB2 . 17291 1 28 . 1 1 4 4 ARG HB3 H 1 1.814 0.020 . 2 . . . . 4 ARG HB3 . 17291 1 29 . 1 1 4 4 ARG HG2 H 1 1.497 0.020 . 2 . . . . 4 ARG HG2 . 17291 1 30 . 1 1 4 4 ARG HG3 H 1 1.676 0.020 . 2 . . . . 4 ARG HG3 . 17291 1 31 . 1 1 4 4 ARG HD2 H 1 3.174 0.020 . 1 . . . . 4 ARG HD2 . 17291 1 32 . 1 1 4 4 ARG HD3 H 1 3.174 0.020 . 1 . . . . 4 ARG HD3 . 17291 1 33 . 1 1 5 5 GLU H H 1 8.298 0.020 . 1 . . . . 5 GLU H . 17291 1 34 . 1 1 5 5 GLU HA H 1 3.988 0.020 . 1 . . . . 5 GLU HA . 17291 1 35 . 1 1 5 5 GLU HB2 H 1 2.084 0.020 . 2 . . . . 5 GLU HB2 . 17291 1 36 . 1 1 5 5 GLU HB3 H 1 2.198 0.020 . 2 . . . . 5 GLU HB3 . 17291 1 37 . 1 1 5 5 GLU HG2 H 1 2.363 0.020 . 1 . . . . 5 GLU HG2 . 17291 1 38 . 1 1 5 5 GLU HG3 H 1 2.363 0.020 . 1 . . . . 5 GLU HG3 . 17291 1 39 . 1 1 6 6 LEU H H 1 8.511 0.020 . 1 . . . . 6 LEU H . 17291 1 40 . 1 1 6 6 LEU HA H 1 3.993 0.020 . 1 . . . . 6 LEU HA . 17291 1 41 . 1 1 6 6 LEU HB2 H 1 1.764 0.020 . 1 . . . . 6 LEU HB2 . 17291 1 42 . 1 1 6 6 LEU HB3 H 1 1.764 0.020 . 1 . . . . 6 LEU HB3 . 17291 1 43 . 1 1 6 6 LEU HG H 1 1.572 0.020 . 1 . . . . 6 LEU HG . 17291 1 44 . 1 1 6 6 LEU HD11 H 1 0.837 0.020 . 2 . . . . 6 LEU HD11 . 17291 1 45 . 1 1 6 6 LEU HD12 H 1 0.837 0.020 . 2 . . . . 6 LEU HD12 . 17291 1 46 . 1 1 6 6 LEU HD13 H 1 0.837 0.020 . 2 . . . . 6 LEU HD13 . 17291 1 47 . 1 1 6 6 LEU HD21 H 1 0.878 0.020 . 2 . . . . 6 LEU HD21 . 17291 1 48 . 1 1 6 6 LEU HD22 H 1 0.878 0.020 . 2 . . . . 6 LEU HD22 . 17291 1 49 . 1 1 6 6 LEU HD23 H 1 0.878 0.020 . 2 . . . . 6 LEU HD23 . 17291 1 50 . 1 1 7 7 LYS H H 1 7.795 0.020 . 1 . . . . 7 LYS H . 17291 1 51 . 1 1 7 7 LYS HA H 1 4.023 0.020 . 1 . . . . 7 LYS HA . 17291 1 52 . 1 1 7 7 LYS HB2 H 1 1.811 0.020 . 2 . . . . 7 LYS HB2 . 17291 1 53 . 1 1 7 7 LYS HB3 H 1 1.878 0.020 . 2 . . . . 7 LYS HB3 . 17291 1 54 . 1 1 7 7 LYS HG2 H 1 1.460 0.020 . 2 . . . . 7 LYS HG2 . 17291 1 55 . 1 1 7 7 LYS HG3 H 1 1.570 0.020 . 2 . . . . 7 LYS HG3 . 17291 1 56 . 1 1 7 7 LYS HD2 H 1 1.651 0.020 . 1 . . . . 7 LYS HD2 . 17291 1 57 . 1 1 7 7 LYS HD3 H 1 1.651 0.020 . 1 . . . . 7 LYS HD3 . 17291 1 58 . 1 1 7 7 LYS HE2 H 1 2.904 0.020 . 1 . . . . 7 LYS HE2 . 17291 1 59 . 1 1 7 7 LYS HE3 H 1 2.904 0.020 . 1 . . . . 7 LYS HE3 . 17291 1 60 . 1 1 8 8 LYS H H 1 7.518 0.020 . 1 . . . . 8 LYS H . 17291 1 61 . 1 1 8 8 LYS HA H 1 3.979 0.020 . 1 . . . . 8 LYS HA . 17291 1 62 . 1 1 8 8 LYS HB2 H 1 1.927 0.020 . 1 . . . . 8 LYS HB2 . 17291 1 63 . 1 1 8 8 LYS HB3 H 1 1.927 0.020 . 1 . . . . 8 LYS HB3 . 17291 1 64 . 1 1 8 8 LYS HG2 H 1 1.354 0.020 . 2 . . . . 8 LYS HG2 . 17291 1 65 . 1 1 8 8 LYS HG3 H 1 1.553 0.020 . 2 . . . . 8 LYS HG3 . 17291 1 66 . 1 1 8 8 LYS HD2 H 1 1.675 0.020 . 1 . . . . 8 LYS HD2 . 17291 1 67 . 1 1 8 8 LYS HD3 H 1 1.675 0.020 . 1 . . . . 8 LYS HD3 . 17291 1 68 . 1 1 8 8 LYS HE2 H 1 2.848 0.020 . 1 . . . . 8 LYS HE2 . 17291 1 69 . 1 1 8 8 LYS HE3 H 1 2.848 0.020 . 1 . . . . 8 LYS HE3 . 17291 1 70 . 1 1 9 9 LEU H H 1 8.007 0.020 . 1 . . . . 9 LEU H . 17291 1 71 . 1 1 9 9 LEU HA H 1 3.959 0.020 . 1 . . . . 9 LEU HA . 17291 1 72 . 1 1 9 9 LEU HB2 H 1 1.691 0.020 . 2 . . . . 9 LEU HB2 . 17291 1 73 . 1 1 9 9 LEU HB3 H 1 1.780 0.020 . 2 . . . . 9 LEU HB3 . 17291 1 74 . 1 1 9 9 LEU HD11 H 1 0.835 0.020 . 2 . . . . 9 LEU HD11 . 17291 1 75 . 1 1 9 9 LEU HD12 H 1 0.835 0.020 . 2 . . . . 9 LEU HD12 . 17291 1 76 . 1 1 9 9 LEU HD13 H 1 0.835 0.020 . 2 . . . . 9 LEU HD13 . 17291 1 77 . 1 1 9 9 LEU HD21 H 1 0.867 0.020 . 2 . . . . 9 LEU HD21 . 17291 1 78 . 1 1 9 9 LEU HD22 H 1 0.867 0.020 . 2 . . . . 9 LEU HD22 . 17291 1 79 . 1 1 9 9 LEU HD23 H 1 0.867 0.020 . 2 . . . . 9 LEU HD23 . 17291 1 80 . 1 1 10 10 GLU H H 1 8.419 0.020 . 1 . . . . 10 GLU H . 17291 1 81 . 1 1 10 10 GLU HA H 1 3.723 0.020 . 1 . . . . 10 GLU HA . 17291 1 82 . 1 1 10 10 GLU HB2 H 1 2.138 0.020 . 1 . . . . 10 GLU HB2 . 17291 1 83 . 1 1 10 10 GLU HB3 H 1 2.138 0.020 . 1 . . . . 10 GLU HB3 . 17291 1 84 . 1 1 10 10 GLU HG2 H 1 2.185 0.020 . 2 . . . . 10 GLU HG2 . 17291 1 85 . 1 1 10 10 GLU HG3 H 1 2.427 0.020 . 2 . . . . 10 GLU HG3 . 17291 1 86 . 1 1 11 11 ARG H H 1 7.688 0.020 . 1 . . . . 11 ARG H . 17291 1 87 . 1 1 11 11 ARG HA H 1 3.908 0.020 . 1 . . . . 11 ARG HA . 17291 1 88 . 1 1 11 11 ARG HB2 H 1 1.943 0.020 . 1 . . . . 11 ARG HB2 . 17291 1 89 . 1 1 11 11 ARG HB3 H 1 1.943 0.020 . 1 . . . . 11 ARG HB3 . 17291 1 90 . 1 1 11 11 ARG HG2 H 1 1.562 0.020 . 2 . . . . 11 ARG HG2 . 17291 1 91 . 1 1 11 11 ARG HG3 H 1 1.782 0.020 . 2 . . . . 11 ARG HG3 . 17291 1 92 . 1 1 11 11 ARG HD2 H 1 3.172 0.020 . 1 . . . . 11 ARG HD2 . 17291 1 93 . 1 1 11 11 ARG HD3 H 1 3.172 0.020 . 1 . . . . 11 ARG HD3 . 17291 1 94 . 1 1 11 11 ARG HE H 1 7.302 0.020 . 1 . . . . 11 ARG HE . 17291 1 95 . 1 1 12 12 GLU H H 1 7.769 0.020 . 1 . . . . 12 GLU H . 17291 1 96 . 1 1 12 12 GLU HA H 1 4.110 0.020 . 1 . . . . 12 GLU HA . 17291 1 97 . 1 1 12 12 GLU HB2 H 1 2.041 0.020 . 2 . . . . 12 GLU HB2 . 17291 1 98 . 1 1 12 12 GLU HB3 H 1 2.087 0.020 . 2 . . . . 12 GLU HB3 . 17291 1 99 . 1 1 12 12 GLU HG2 H 1 2.262 0.020 . 2 . . . . 12 GLU HG2 . 17291 1 100 . 1 1 12 12 GLU HG3 H 1 2.476 0.020 . 2 . . . . 12 GLU HG3 . 17291 1 101 . 1 1 13 13 LEU H H 1 8.269 0.020 . 1 . . . . 13 LEU H . 17291 1 102 . 1 1 13 13 LEU HA H 1 3.982 0.020 . 1 . . . . 13 LEU HA . 17291 1 103 . 1 1 13 13 LEU HB2 H 1 1.823 0.020 . 1 . . . . 13 LEU HB2 . 17291 1 104 . 1 1 13 13 LEU HB3 H 1 1.823 0.020 . 1 . . . . 13 LEU HB3 . 17291 1 105 . 1 1 13 13 LEU HG H 1 1.493 0.020 . 1 . . . . 13 LEU HG . 17291 1 106 . 1 1 13 13 LEU HD11 H 1 0.800 0.020 . 2 . . . . 13 LEU HD11 . 17291 1 107 . 1 1 13 13 LEU HD12 H 1 0.800 0.020 . 2 . . . . 13 LEU HD12 . 17291 1 108 . 1 1 13 13 LEU HD13 H 1 0.800 0.020 . 2 . . . . 13 LEU HD13 . 17291 1 109 . 1 1 13 13 LEU HD21 H 1 0.822 0.020 . 2 . . . . 13 LEU HD21 . 17291 1 110 . 1 1 13 13 LEU HD22 H 1 0.822 0.020 . 2 . . . . 13 LEU HD22 . 17291 1 111 . 1 1 13 13 LEU HD23 H 1 0.822 0.020 . 2 . . . . 13 LEU HD23 . 17291 1 112 . 1 1 14 14 LYS H H 1 7.540 0.020 . 1 . . . . 14 LYS H . 17291 1 113 . 1 1 14 14 LYS HA H 1 4.059 0.020 . 1 . . . . 14 LYS HA . 17291 1 114 . 1 1 14 14 LYS HB2 H 1 1.829 0.020 . 2 . . . . 14 LYS HB2 . 17291 1 115 . 1 1 14 14 LYS HB3 H 1 1.917 0.020 . 2 . . . . 14 LYS HB3 . 17291 1 116 . 1 1 14 14 LYS HG2 H 1 1.479 0.020 . 1 . . . . 14 LYS HG2 . 17291 1 117 . 1 1 14 14 LYS HG3 H 1 1.479 0.020 . 1 . . . . 14 LYS HG3 . 17291 1 118 . 1 1 14 14 LYS HD2 H 1 1.644 0.020 . 1 . . . . 14 LYS HD2 . 17291 1 119 . 1 1 14 14 LYS HD3 H 1 1.644 0.020 . 1 . . . . 14 LYS HD3 . 17291 1 120 . 1 1 15 15 LYS H H 1 7.336 0.020 . 1 . . . . 15 LYS H . 17291 1 121 . 1 1 15 15 LYS HA H 1 4.193 0.020 . 1 . . . . 15 LYS HA . 17291 1 122 . 1 1 15 15 LYS HB2 H 1 1.918 0.020 . 1 . . . . 15 LYS HB2 . 17291 1 123 . 1 1 15 15 LYS HB3 H 1 1.918 0.020 . 1 . . . . 15 LYS HB3 . 17291 1 124 . 1 1 15 15 LYS HG2 H 1 1.422 0.020 . 1 . . . . 15 LYS HG2 . 17291 1 125 . 1 1 15 15 LYS HG3 H 1 1.422 0.020 . 1 . . . . 15 LYS HG3 . 17291 1 126 . 1 1 15 15 LYS HD2 H 1 1.608 0.020 . 2 . . . . 15 LYS HD2 . 17291 1 127 . 1 1 15 15 LYS HD3 H 1 1.676 0.020 . 2 . . . . 15 LYS HD3 . 17291 1 128 . 1 1 16 16 LEU H H 1 7.281 0.020 . 1 . . . . 16 LEU H . 17291 1 129 . 1 1 16 16 LEU HA H 1 4.390 0.020 . 1 . . . . 16 LEU HA . 17291 1 130 . 1 1 16 16 LEU HB2 H 1 1.910 0.020 . 1 . . . . 16 LEU HB2 . 17291 1 131 . 1 1 16 16 LEU HB3 H 1 1.910 0.020 . 1 . . . . 16 LEU HB3 . 17291 1 132 . 1 1 16 16 LEU HG H 1 1.428 0.020 . 1 . . . . 16 LEU HG . 17291 1 133 . 1 1 16 16 LEU HD11 H 1 0.892 0.020 . 2 . . . . 16 LEU HD11 . 17291 1 134 . 1 1 16 16 LEU HD12 H 1 0.892 0.020 . 2 . . . . 16 LEU HD12 . 17291 1 135 . 1 1 16 16 LEU HD13 H 1 0.892 0.020 . 2 . . . . 16 LEU HD13 . 17291 1 136 . 1 1 16 16 LEU HD21 H 1 0.931 0.020 . 2 . . . . 16 LEU HD21 . 17291 1 137 . 1 1 16 16 LEU HD22 H 1 0.931 0.020 . 2 . . . . 16 LEU HD22 . 17291 1 138 . 1 1 16 16 LEU HD23 H 1 0.931 0.020 . 2 . . . . 16 LEU HD23 . 17291 1 139 . 1 1 17 17 SER H H 1 8.716 0.020 . 1 . . . . 17 SER H . 17291 1 140 . 1 1 17 17 SER HA H 1 4.739 0.020 . 1 . . . . 17 SER HA . 17291 1 141 . 1 1 17 17 SER HB2 H 1 3.993 0.020 . 2 . . . . 17 SER HB2 . 17291 1 142 . 1 1 17 17 SER HB3 H 1 4.333 0.020 . 2 . . . . 17 SER HB3 . 17291 1 143 . 1 1 18 18 PRO HA H 1 4.161 0.020 . 1 . . . . 18 PRO HA . 17291 1 144 . 1 1 18 18 PRO HB2 H 1 1.928 0.020 . 2 . . . . 18 PRO HB2 . 17291 1 145 . 1 1 18 18 PRO HB3 H 1 2.359 0.020 . 2 . . . . 18 PRO HB3 . 17291 1 146 . 1 1 18 18 PRO HG2 H 1 1.998 0.020 . 2 . . . . 18 PRO HG2 . 17291 1 147 . 1 1 18 18 PRO HG3 H 1 2.206 0.020 . 2 . . . . 18 PRO HG3 . 17291 1 148 . 1 1 18 18 PRO HD2 H 1 3.914 0.020 . 1 . . . . 18 PRO HD2 . 17291 1 149 . 1 1 18 18 PRO HD3 H 1 3.914 0.020 . 1 . . . . 18 PRO HD3 . 17291 1 150 . 1 1 19 19 GLU H H 1 8.447 0.020 . 1 . . . . 19 GLU H . 17291 1 151 . 1 1 19 19 GLU HA H 1 4.026 0.020 . 1 . . . . 19 GLU HA . 17291 1 152 . 1 1 19 19 GLU HB2 H 1 1.914 0.020 . 2 . . . . 19 GLU HB2 . 17291 1 153 . 1 1 19 19 GLU HB3 H 1 2.025 0.020 . 2 . . . . 19 GLU HB3 . 17291 1 154 . 1 1 19 19 GLU HG2 H 1 2.257 0.020 . 2 . . . . 19 GLU HG2 . 17291 1 155 . 1 1 19 19 GLU HG3 H 1 2.334 0.020 . 2 . . . . 19 GLU HG3 . 17291 1 156 . 1 1 20 20 GLU H H 1 7.708 0.020 . 1 . . . . 20 GLU H . 17291 1 157 . 1 1 20 20 GLU HA H 1 3.888 0.020 . 1 . . . . 20 GLU HA . 17291 1 158 . 1 1 20 20 GLU HB2 H 1 2.266 0.020 . 1 . . . . 20 GLU HB2 . 17291 1 159 . 1 1 20 20 GLU HB3 H 1 2.266 0.020 . 1 . . . . 20 GLU HB3 . 17291 1 160 . 1 1 20 20 GLU HG2 H 1 1.910 0.020 . 1 . . . . 20 GLU HG2 . 17291 1 161 . 1 1 20 20 GLU HG3 H 1 1.910 0.020 . 1 . . . . 20 GLU HG3 . 17291 1 162 . 1 1 21 21 LEU H H 1 8.224 0.020 . 1 . . . . 21 LEU H . 17291 1 163 . 1 1 21 21 LEU HA H 1 3.958 0.020 . 1 . . . . 21 LEU HA . 17291 1 164 . 1 1 21 21 LEU HB2 H 1 1.627 0.020 . 2 . . . . 21 LEU HB2 . 17291 1 165 . 1 1 21 21 LEU HB3 H 1 1.740 0.020 . 2 . . . . 21 LEU HB3 . 17291 1 166 . 1 1 21 21 LEU HG H 1 1.531 0.020 . 1 . . . . 21 LEU HG . 17291 1 167 . 1 1 21 21 LEU HD11 H 1 0.862 0.020 . 2 . . . . 21 LEU HD11 . 17291 1 168 . 1 1 21 21 LEU HD12 H 1 0.862 0.020 . 2 . . . . 21 LEU HD12 . 17291 1 169 . 1 1 21 21 LEU HD13 H 1 0.862 0.020 . 2 . . . . 21 LEU HD13 . 17291 1 170 . 1 1 21 21 LEU HD21 H 1 0.887 0.020 . 2 . . . . 21 LEU HD21 . 17291 1 171 . 1 1 21 21 LEU HD22 H 1 0.887 0.020 . 2 . . . . 21 LEU HD22 . 17291 1 172 . 1 1 21 21 LEU HD23 H 1 0.887 0.020 . 2 . . . . 21 LEU HD23 . 17291 1 173 . 1 1 22 22 ASN H H 1 8.208 0.020 . 1 . . . . 22 ASN H . 17291 1 174 . 1 1 22 22 ASN HA H 1 4.437 0.020 . 1 . . . . 22 ASN HA . 17291 1 175 . 1 1 22 22 ASN HB2 H 1 2.756 0.020 . 2 . . . . 22 ASN HB2 . 17291 1 176 . 1 1 22 22 ASN HB3 H 1 2.841 0.020 . 2 . . . . 22 ASN HB3 . 17291 1 177 . 1 1 22 22 ASN HD21 H 1 6.764 0.020 . 2 . . . . 22 ASN HD21 . 17291 1 178 . 1 1 22 22 ASN HD22 H 1 7.475 0.020 . 2 . . . . 22 ASN HD22 . 17291 1 179 . 1 1 23 23 ARG H H 1 7.748 0.020 . 1 . . . . 23 ARG H . 17291 1 180 . 1 1 23 23 ARG HA H 1 4.099 0.020 . 1 . . . . 23 ARG HA . 17291 1 181 . 1 1 23 23 ARG HB2 H 1 1.800 0.020 . 2 . . . . 23 ARG HB2 . 17291 1 182 . 1 1 23 23 ARG HB3 H 1 1.855 0.020 . 2 . . . . 23 ARG HB3 . 17291 1 183 . 1 1 23 23 ARG HG2 H 1 1.431 0.020 . 2 . . . . 23 ARG HG2 . 17291 1 184 . 1 1 23 23 ARG HG3 H 1 1.658 0.020 . 2 . . . . 23 ARG HG3 . 17291 1 185 . 1 1 23 23 ARG HD2 H 1 3.081 0.020 . 1 . . . . 23 ARG HD2 . 17291 1 186 . 1 1 23 23 ARG HD3 H 1 3.081 0.020 . 1 . . . . 23 ARG HD3 . 17291 1 187 . 1 1 23 23 ARG HE H 1 7.399 0.020 . 1 . . . . 23 ARG HE . 17291 1 188 . 1 1 24 24 TYR H H 1 8.290 0.020 . 1 . . . . 24 TYR H . 17291 1 189 . 1 1 24 24 TYR HA H 1 4.429 0.020 . 1 . . . . 24 TYR HA . 17291 1 190 . 1 1 24 24 TYR HB2 H 1 2.998 0.020 . 2 . . . . 24 TYR HB2 . 17291 1 191 . 1 1 24 24 TYR HB3 H 1 3.075 0.020 . 2 . . . . 24 TYR HB3 . 17291 1 192 . 1 1 24 24 TYR HD1 H 1 6.990 0.020 . 1 . . . . 24 TYR HD1 . 17291 1 193 . 1 1 24 24 TYR HD2 H 1 6.990 0.020 . 1 . . . . 24 TYR HD2 . 17291 1 194 . 1 1 24 24 TYR HE1 H 1 6.744 0.020 . 1 . . . . 24 TYR HE1 . 17291 1 195 . 1 1 24 24 TYR HE2 H 1 6.744 0.020 . 1 . . . . 24 TYR HE2 . 17291 1 196 . 1 1 25 25 TYR H H 1 8.684 0.020 . 1 . . . . 25 TYR H . 17291 1 197 . 1 1 25 25 TYR HA H 1 4.261 0.020 . 1 . . . . 25 TYR HA . 17291 1 198 . 1 1 25 25 TYR HB2 H 1 3.165 0.020 . 2 . . . . 25 TYR HB2 . 17291 1 199 . 1 1 25 25 TYR HB3 H 1 3.207 0.020 . 2 . . . . 25 TYR HB3 . 17291 1 200 . 1 1 25 25 TYR HD1 H 1 7.047 0.020 . 1 . . . . 25 TYR HD1 . 17291 1 201 . 1 1 25 25 TYR HD2 H 1 7.047 0.020 . 1 . . . . 25 TYR HD2 . 17291 1 202 . 1 1 25 25 TYR HE1 H 1 6.717 0.020 . 1 . . . . 25 TYR HE1 . 17291 1 203 . 1 1 25 25 TYR HE2 H 1 6.717 0.020 . 1 . . . . 25 TYR HE2 . 17291 1 204 . 1 1 26 26 ALA H H 1 8.214 0.020 . 1 . . . . 26 ALA H . 17291 1 205 . 1 1 26 26 ALA HA H 1 3.893 0.020 . 1 . . . . 26 ALA HA . 17291 1 206 . 1 1 26 26 ALA HB1 H 1 1.499 0.020 . 1 . . . . 26 ALA HB1 . 17291 1 207 . 1 1 26 26 ALA HB2 H 1 1.499 0.020 . 1 . . . . 26 ALA HB2 . 17291 1 208 . 1 1 26 26 ALA HB3 H 1 1.499 0.020 . 1 . . . . 26 ALA HB3 . 17291 1 209 . 1 1 27 27 SER H H 1 8.074 0.020 . 1 . . . . 27 SER H . 17291 1 210 . 1 1 27 27 SER HA H 1 4.252 0.020 . 1 . . . . 27 SER HA . 17291 1 211 . 1 1 27 27 SER HB2 H 1 3.957 0.020 . 2 . . . . 27 SER HB2 . 17291 1 212 . 1 1 27 27 SER HB3 H 1 4.128 0.020 . 2 . . . . 27 SER HB3 . 17291 1 213 . 1 1 28 28 LEU H H 1 8.356 0.020 . 1 . . . . 28 LEU H . 17291 1 214 . 1 1 28 28 LEU HA H 1 4.117 0.020 . 1 . . . . 28 LEU HA . 17291 1 215 . 1 1 28 28 LEU HB2 H 1 1.744 0.020 . 2 . . . . 28 LEU HB2 . 17291 1 216 . 1 1 28 28 LEU HB3 H 1 1.865 0.020 . 2 . . . . 28 LEU HB3 . 17291 1 217 . 1 1 28 28 LEU HG H 1 1.805 0.020 . 1 . . . . 28 LEU HG . 17291 1 218 . 1 1 28 28 LEU HD11 H 1 0.930 0.020 . 1 . . . . 28 LEU HD1 . 17291 1 219 . 1 1 28 28 LEU HD12 H 1 0.930 0.020 . 1 . . . . 28 LEU HD1 . 17291 1 220 . 1 1 28 28 LEU HD13 H 1 0.930 0.020 . 1 . . . . 28 LEU HD1 . 17291 1 221 . 1 1 28 28 LEU HD21 H 1 0.930 0.020 . 1 . . . . 28 LEU HD2 . 17291 1 222 . 1 1 28 28 LEU HD22 H 1 0.930 0.020 . 1 . . . . 28 LEU HD2 . 17291 1 223 . 1 1 28 28 LEU HD23 H 1 0.930 0.020 . 1 . . . . 28 LEU HD2 . 17291 1 224 . 1 1 29 29 ARG H H 1 8.374 0.020 . 1 . . . . 29 ARG H . 17291 1 225 . 1 1 29 29 ARG HA H 1 3.734 0.020 . 1 . . . . 29 ARG HA . 17291 1 226 . 1 1 29 29 ARG HB2 H 1 1.649 0.020 . 2 . . . . 29 ARG HB2 . 17291 1 227 . 1 1 29 29 ARG HB3 H 1 1.787 0.020 . 2 . . . . 29 ARG HB3 . 17291 1 228 . 1 1 29 29 ARG HG2 H 1 1.357 0.020 . 2 . . . . 29 ARG HG2 . 17291 1 229 . 1 1 29 29 ARG HG3 H 1 1.505 0.020 . 2 . . . . 29 ARG HG3 . 17291 1 230 . 1 1 29 29 ARG HD2 H 1 2.987 0.020 . 1 . . . . 29 ARG HD2 . 17291 1 231 . 1 1 29 29 ARG HD3 H 1 2.987 0.020 . 1 . . . . 29 ARG HD3 . 17291 1 232 . 1 1 29 29 ARG HE H 1 7.298 0.020 . 1 . . . . 29 ARG HE . 17291 1 233 . 1 1 30 30 HIS H H 1 7.902 0.020 . 1 . . . . 30 HIS H . 17291 1 234 . 1 1 30 30 HIS HA H 1 4.319 0.020 . 1 . . . . 30 HIS HA . 17291 1 235 . 1 1 30 30 HIS HB2 H 1 3.207 0.020 . 2 . . . . 30 HIS HB2 . 17291 1 236 . 1 1 30 30 HIS HB3 H 1 3.357 0.020 . 2 . . . . 30 HIS HB3 . 17291 1 237 . 1 1 30 30 HIS HD2 H 1 6.319 0.020 . 1 . . . . 30 HIS HD2 . 17291 1 238 . 1 1 30 30 HIS HE1 H 1 8.405 0.020 . 1 . . . . 30 HIS HE1 . 17291 1 239 . 1 1 31 31 TYR H H 1 8.149 0.020 . 1 . . . . 31 TYR H . 17291 1 240 . 1 1 31 31 TYR HA H 1 4.110 0.020 . 1 . . . . 31 TYR HA . 17291 1 241 . 1 1 31 31 TYR HB2 H 1 2.953 0.020 . 2 . . . . 31 TYR HB2 . 17291 1 242 . 1 1 31 31 TYR HB3 H 1 3.005 0.020 . 2 . . . . 31 TYR HB3 . 17291 1 243 . 1 1 31 31 TYR HD1 H 1 7.059 0.020 . 1 . . . . 31 TYR HD1 . 17291 1 244 . 1 1 31 31 TYR HD2 H 1 7.059 0.020 . 1 . . . . 31 TYR HD2 . 17291 1 245 . 1 1 31 31 TYR HE1 H 1 6.812 0.020 . 1 . . . . 31 TYR HE1 . 17291 1 246 . 1 1 31 31 TYR HE2 H 1 6.812 0.020 . 1 . . . . 31 TYR HE2 . 17291 1 247 . 1 1 32 32 LEU H H 1 8.524 0.020 . 1 . . . . 32 LEU H . 17291 1 248 . 1 1 32 32 LEU HA H 1 4.032 0.020 . 1 . . . . 32 LEU HA . 17291 1 249 . 1 1 32 32 LEU HB2 H 1 1.777 0.020 . 1 . . . . 32 LEU HB2 . 17291 1 250 . 1 1 32 32 LEU HB3 H 1 1.777 0.020 . 1 . . . . 32 LEU HB3 . 17291 1 251 . 1 1 32 32 LEU HG H 1 1.583 0.020 . 1 . . . . 32 LEU HG . 17291 1 252 . 1 1 32 32 LEU HD11 H 1 0.836 0.020 . 1 . . . . 32 LEU HD1 . 17291 1 253 . 1 1 32 32 LEU HD12 H 1 0.836 0.020 . 1 . . . . 32 LEU HD1 . 17291 1 254 . 1 1 32 32 LEU HD13 H 1 0.836 0.020 . 1 . . . . 32 LEU HD1 . 17291 1 255 . 1 1 32 32 LEU HD21 H 1 0.836 0.020 . 1 . . . . 32 LEU HD2 . 17291 1 256 . 1 1 32 32 LEU HD22 H 1 0.836 0.020 . 1 . . . . 32 LEU HD2 . 17291 1 257 . 1 1 32 32 LEU HD23 H 1 0.836 0.020 . 1 . . . . 32 LEU HD2 . 17291 1 258 . 1 1 33 33 ASN H H 1 8.003 0.020 . 1 . . . . 33 ASN H . 17291 1 259 . 1 1 33 33 ASN HA H 1 4.375 0.020 . 1 . . . . 33 ASN HA . 17291 1 260 . 1 1 33 33 ASN HB2 H 1 2.753 0.020 . 2 . . . . 33 ASN HB2 . 17291 1 261 . 1 1 33 33 ASN HB3 H 1 2.869 0.020 . 2 . . . . 33 ASN HB3 . 17291 1 262 . 1 1 33 33 ASN HD21 H 1 6.875 0.020 . 2 . . . . 33 ASN HD21 . 17291 1 263 . 1 1 33 33 ASN HD22 H 1 7.519 0.020 . 2 . . . . 33 ASN HD22 . 17291 1 264 . 1 1 34 34 LEU H H 1 7.596 0.020 . 1 . . . . 34 LEU H . 17291 1 265 . 1 1 34 34 LEU HA H 1 4.020 0.020 . 1 . . . . 34 LEU HA . 17291 1 266 . 1 1 34 34 LEU HB2 H 1 1.821 0.020 . 1 . . . . 34 LEU HB2 . 17291 1 267 . 1 1 34 34 LEU HB3 H 1 1.821 0.020 . 1 . . . . 34 LEU HB3 . 17291 1 268 . 1 1 34 34 LEU HG H 1 1.558 0.020 . 1 . . . . 34 LEU HG . 17291 1 269 . 1 1 34 34 LEU HD11 H 1 0.788 0.020 . 1 . . . . 34 LEU HD1 . 17291 1 270 . 1 1 34 34 LEU HD12 H 1 0.788 0.020 . 1 . . . . 34 LEU HD1 . 17291 1 271 . 1 1 34 34 LEU HD13 H 1 0.788 0.020 . 1 . . . . 34 LEU HD1 . 17291 1 272 . 1 1 34 34 LEU HD21 H 1 0.788 0.020 . 1 . . . . 34 LEU HD2 . 17291 1 273 . 1 1 34 34 LEU HD22 H 1 0.788 0.020 . 1 . . . . 34 LEU HD2 . 17291 1 274 . 1 1 34 34 LEU HD23 H 1 0.788 0.020 . 1 . . . . 34 LEU HD2 . 17291 1 275 . 1 1 35 35 VAL H H 1 7.852 0.020 . 1 . . . . 35 VAL H . 17291 1 276 . 1 1 35 35 VAL HA H 1 3.892 0.020 . 1 . . . . 35 VAL HA . 17291 1 277 . 1 1 35 35 VAL HB H 1 2.217 0.020 . 1 . . . . 35 VAL HB . 17291 1 278 . 1 1 35 35 VAL HG11 H 1 0.928 0.020 . 2 . . . . 35 VAL HG11 . 17291 1 279 . 1 1 35 35 VAL HG12 H 1 0.928 0.020 . 2 . . . . 35 VAL HG12 . 17291 1 280 . 1 1 35 35 VAL HG13 H 1 0.928 0.020 . 2 . . . . 35 VAL HG13 . 17291 1 281 . 1 1 35 35 VAL HG21 H 1 1.016 0.020 . 2 . . . . 35 VAL HG21 . 17291 1 282 . 1 1 35 35 VAL HG22 H 1 1.016 0.020 . 2 . . . . 35 VAL HG22 . 17291 1 283 . 1 1 35 35 VAL HG23 H 1 1.016 0.020 . 2 . . . . 35 VAL HG23 . 17291 1 284 . 1 1 36 36 THR H H 1 7.771 0.020 . 1 . . . . 36 THR H . 17291 1 285 . 1 1 36 36 THR HA H 1 4.212 0.020 . 1 . . . . 36 THR HA . 17291 1 286 . 1 1 36 36 THR HB H 1 4.357 0.020 . 1 . . . . 36 THR HB . 17291 1 287 . 1 1 36 36 THR HG21 H 1 1.255 0.020 . 1 . . . . 36 THR HG21 . 17291 1 288 . 1 1 36 36 THR HG22 H 1 1.255 0.020 . 1 . . . . 36 THR HG22 . 17291 1 289 . 1 1 36 36 THR HG23 H 1 1.255 0.020 . 1 . . . . 36 THR HG23 . 17291 1 290 . 1 1 37 37 ARG H H 1 7.946 0.020 . 1 . . . . 37 ARG H . 17291 1 291 . 1 1 37 37 ARG HA H 1 4.120 0.020 . 1 . . . . 37 ARG HA . 17291 1 292 . 1 1 37 37 ARG HB2 H 1 1.872 0.020 . 1 . . . . 37 ARG HB2 . 17291 1 293 . 1 1 37 37 ARG HB3 H 1 1.872 0.020 . 1 . . . . 37 ARG HB3 . 17291 1 294 . 1 1 37 37 ARG HG2 H 1 1.662 0.020 . 1 . . . . 37 ARG HG2 . 17291 1 295 . 1 1 37 37 ARG HG3 H 1 1.662 0.020 . 1 . . . . 37 ARG HG3 . 17291 1 296 . 1 1 37 37 ARG HD2 H 1 3.130 0.020 . 1 . . . . 37 ARG HD2 . 17291 1 297 . 1 1 37 37 ARG HD3 H 1 3.130 0.020 . 1 . . . . 37 ARG HD3 . 17291 1 298 . 1 1 37 37 ARG HE H 1 7.260 0.020 . 1 . . . . 37 ARG HE . 17291 1 299 . 1 1 38 38 GLN H H 1 8.005 0.020 . 1 . . . . 38 GLN H . 17291 1 300 . 1 1 38 38 GLN HA H 1 4.078 0.020 . 1 . . . . 38 GLN HA . 17291 1 301 . 1 1 38 38 GLN HB2 H 1 2.048 0.020 . 1 . . . . 38 GLN HB2 . 17291 1 302 . 1 1 38 38 GLN HB3 H 1 2.048 0.020 . 1 . . . . 38 GLN HB3 . 17291 1 303 . 1 1 38 38 GLN HG2 H 1 2.302 0.020 . 1 . . . . 38 GLN HG2 . 17291 1 304 . 1 1 38 38 GLN HG3 H 1 2.302 0.020 . 1 . . . . 38 GLN HG3 . 17291 1 305 . 1 1 38 38 GLN HE21 H 1 6.753 0.020 . 2 . . . . 38 GLN HE21 . 17291 1 306 . 1 1 38 38 GLN HE22 H 1 7.408 0.020 . 2 . . . . 38 GLN HE22 . 17291 1 307 . 1 1 39 39 ARG H H 1 7.855 0.020 . 1 . . . . 39 ARG H . 17291 1 308 . 1 1 39 39 ARG HA H 1 4.107 0.020 . 1 . . . . 39 ARG HA . 17291 1 309 . 1 1 39 39 ARG HB2 H 1 1.593 0.020 . 1 . . . . 39 ARG HB2 . 17291 1 310 . 1 1 39 39 ARG HB3 H 1 1.593 0.020 . 1 . . . . 39 ARG HB3 . 17291 1 311 . 1 1 39 39 ARG HG2 H 1 1.324 0.020 . 2 . . . . 39 ARG HG2 . 17291 1 312 . 1 1 39 39 ARG HG3 H 1 1.409 0.020 . 2 . . . . 39 ARG HG3 . 17291 1 313 . 1 1 39 39 ARG HD2 H 1 3.026 0.020 . 1 . . . . 39 ARG HD2 . 17291 1 314 . 1 1 39 39 ARG HD3 H 1 3.026 0.020 . 1 . . . . 39 ARG HD3 . 17291 1 315 . 1 1 39 39 ARG HE H 1 7.324 0.020 . 1 . . . . 39 ARG HE . 17291 1 316 . 1 1 40 40 TYR H H 1 7.919 0.020 . 1 . . . . 40 TYR H . 17291 1 317 . 1 1 40 40 TYR HA H 1 4.489 0.020 . 1 . . . . 40 TYR HA . 17291 1 318 . 1 1 40 40 TYR HB2 H 1 2.776 0.020 . 2 . . . . 40 TYR HB2 . 17291 1 319 . 1 1 40 40 TYR HB3 H 1 3.081 0.020 . 2 . . . . 40 TYR HB3 . 17291 1 320 . 1 1 40 40 TYR HD1 H 1 7.073 0.020 . 1 . . . . 40 TYR HD1 . 17291 1 321 . 1 1 40 40 TYR HD2 H 1 7.073 0.020 . 1 . . . . 40 TYR HD2 . 17291 1 322 . 1 1 40 40 TYR HE1 H 1 6.745 0.020 . 1 . . . . 40 TYR HE1 . 17291 1 323 . 1 1 40 40 TYR HE2 H 1 6.745 0.020 . 1 . . . . 40 TYR HE2 . 17291 1 stop_ save_