################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30462 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 30462 1 2 '2D 1H-1H NOESY' . . . 30462 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 1 1 ALA HA H 1 4.066 0.020 . . . . . . A 1 ALA HA . 30462 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.503 0.020 . . . . . . A 1 ALA HB1 . 30462 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.503 0.020 . . . . . . A 1 ALA HB2 . 30462 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.503 0.020 . . . . . . A 1 ALA HB3 . 30462 1 5 . 1 . 1 2 2 PHE H H 1 8.468 0.020 . . . . . . A 2 PHE H . 30462 1 6 . 1 . 1 2 2 PHE HA H 1 4.668 0.020 . . . . . . A 2 PHE HA . 30462 1 7 . 1 . 1 2 2 PHE HB2 H 1 3.102 0.020 . . . . . . A 2 PHE HB2 . 30462 1 8 . 1 . 1 2 2 PHE HB3 H 1 3.034 0.020 . . . . . . A 2 PHE HB3 . 30462 1 9 . 1 . 1 2 2 PHE HD1 H 1 7.377 0.020 . . . . . . A 2 PHE HD1 . 30462 1 10 . 1 . 1 2 2 PHE HD2 H 1 7.377 0.020 . . . . . . A 2 PHE HD2 . 30462 1 11 . 1 . 1 2 2 PHE HE1 H 1 7.245 0.020 . . . . . . A 2 PHE HE1 . 30462 1 12 . 1 . 1 2 2 PHE HE2 H 1 7.245 0.020 . . . . . . A 2 PHE HE2 . 30462 1 13 . 1 . 1 3 3 CYS H H 1 8.228 0.020 . . . . . . A 3 CYS H . 30462 1 14 . 1 . 1 3 3 CYS HA H 1 4.411 0.020 . . . . . . A 3 CYS HA . 30462 1 15 . 1 . 1 3 3 CYS HB2 H 1 2.799 0.020 . . . . . . A 3 CYS HB2 . 30462 1 16 . 1 . 1 3 3 CYS HB3 H 1 2.681 0.020 . . . . . . A 3 CYS HB3 . 30462 1 17 . 1 . 1 4 4 ASN H H 1 8.703 0.020 . . . . . . A 4 ASN H . 30462 1 18 . 1 . 1 4 4 ASN HA H 1 4.800 0.020 . . . . . . A 4 ASN HA . 30462 1 19 . 1 . 1 4 4 ASN HB2 H 1 2.886 0.020 . . . . . . A 4 ASN HB2 . 30462 1 20 . 1 . 1 4 4 ASN HB3 H 1 2.778 0.020 . . . . . . A 4 ASN HB3 . 30462 1 21 . 1 . 1 4 4 ASN HD21 H 1 7.044 0.020 . . . . . . A 4 ASN HD21 . 30462 1 22 . 1 . 1 4 4 ASN HD22 H 1 7.872 0.020 . . . . . . A 4 ASN HD22 . 30462 1 23 . 1 . 1 5 5 LEU H H 1 8.771 0.020 . . . . . . A 5 LEU H . 30462 1 24 . 1 . 1 5 5 LEU HA H 1 3.981 0.020 . . . . . . A 5 LEU HA . 30462 1 25 . 1 . 1 5 5 LEU HB2 H 1 1.777 0.020 . . . . . . A 5 LEU HB2 . 30462 1 26 . 1 . 1 5 5 LEU HB3 H 1 1.565 0.020 . . . . . . A 5 LEU HB3 . 30462 1 27 . 1 . 1 5 5 LEU HG H 1 1.480 0.020 . . . . . . A 5 LEU HG . 30462 1 28 . 1 . 1 5 5 LEU HD11 H 1 0.948 0.020 . . . . . . A 5 LEU HD11 . 30462 1 29 . 1 . 1 5 5 LEU HD12 H 1 0.948 0.020 . . . . . . A 5 LEU HD12 . 30462 1 30 . 1 . 1 5 5 LEU HD13 H 1 0.948 0.020 . . . . . . A 5 LEU HD13 . 30462 1 31 . 1 . 1 6 6 ARG H H 1 8.299 0.020 . . . . . . A 6 ARG H . 30462 1 32 . 1 . 1 6 6 ARG HA H 1 4.072 0.020 . . . . . . A 6 ARG HA . 30462 1 33 . 1 . 1 6 6 ARG HB2 H 1 1.933 0.020 . . . . . . A 6 ARG HB2 . 30462 1 34 . 1 . 1 6 6 ARG HB3 H 1 1.774 0.020 . . . . . . A 6 ARG HB3 . 30462 1 35 . 1 . 1 6 6 ARG HG2 H 1 1.659 0.020 . . . . . . A 6 ARG HG2 . 30462 1 36 . 1 . 1 6 6 ARG HG3 H 1 1.659 0.020 . . . . . . A 6 ARG HG3 . 30462 1 37 . 1 . 1 6 6 ARG HD2 H 1 3.293 0.020 . . . . . . A 6 ARG HD2 . 30462 1 38 . 1 . 1 6 6 ARG HD3 H 1 3.293 0.020 . . . . . . A 6 ARG HD3 . 30462 1 39 . 1 . 1 6 6 ARG HE H 1 7.292 0.020 . . . . . . A 6 ARG HE . 30462 1 40 . 1 . 1 7 7 ARG H H 1 7.972 0.020 . . . . . . A 7 ARG H . 30462 1 41 . 1 . 1 7 7 ARG HA H 1 4.018 0.020 . . . . . . A 7 ARG HA . 30462 1 42 . 1 . 1 7 7 ARG HB2 H 1 1.932 0.020 . . . . . . A 7 ARG HB2 . 30462 1 43 . 1 . 1 7 7 ARG HB3 H 1 1.847 0.020 . . . . . . A 7 ARG HB3 . 30462 1 44 . 1 . 1 7 7 ARG HG2 H 1 1.667 0.020 . . . . . . A 7 ARG HG2 . 30462 1 45 . 1 . 1 7 7 ARG HG3 H 1 1.667 0.020 . . . . . . A 7 ARG HG3 . 30462 1 46 . 1 . 1 7 7 ARG HD2 H 1 3.245 0.020 . . . . . . A 7 ARG HD2 . 30462 1 47 . 1 . 1 7 7 ARG HD3 H 1 3.245 0.020 . . . . . . A 7 ARG HD3 . 30462 1 48 . 1 . 1 7 7 ARG HE H 1 7.286 0.020 . . . . . . A 7 ARG HE . 30462 1 49 . 1 . 1 8 8 CYS H H 1 8.692 0.020 . . . . . . A 8 CYS H . 30462 1 50 . 1 . 1 8 8 CYS HA H 1 4.621 0.020 . . . . . . A 8 CYS HA . 30462 1 51 . 1 . 1 8 8 CYS HB2 H 1 3.197 0.020 . . . . . . A 8 CYS HB2 . 30462 1 52 . 1 . 1 8 8 CYS HB3 H 1 2.777 0.020 . . . . . . A 8 CYS HB3 . 30462 1 53 . 1 . 1 9 9 GLU H H 1 9.064 0.020 . . . . . . A 9 GLU H . 30462 1 54 . 1 . 1 9 9 GLU HA H 1 3.806 0.020 . . . . . . A 9 GLU HA . 30462 1 55 . 1 . 1 9 9 GLU HB2 H 1 2.402 0.020 . . . . . . A 9 GLU HB2 . 30462 1 56 . 1 . 1 9 9 GLU HB3 H 1 2.081 0.020 . . . . . . A 9 GLU HB3 . 30462 1 57 . 1 . 1 9 9 GLU HG2 H 1 2.660 0.020 . . . . . . A 9 GLU HG2 . 30462 1 58 . 1 . 1 9 9 GLU HG3 H 1 2.574 0.020 . . . . . . A 9 GLU HG3 . 30462 1 59 . 1 . 1 10 10 LEU H H 1 8.126 0.020 . . . . . . A 10 LEU H . 30462 1 60 . 1 . 1 10 10 LEU HA H 1 4.097 0.020 . . . . . . A 10 LEU HA . 30462 1 61 . 1 . 1 10 10 LEU HB2 H 1 1.898 0.020 . . . . . . A 10 LEU HB2 . 30462 1 62 . 1 . 1 10 10 LEU HB3 H 1 1.824 0.020 . . . . . . A 10 LEU HB3 . 30462 1 63 . 1 . 1 10 10 LEU HG H 1 1.686 0.020 . . . . . . A 10 LEU HG . 30462 1 64 . 1 . 1 10 10 LEU HD11 H 1 0.918 0.020 . . . . . . A 10 LEU HD11 . 30462 1 65 . 1 . 1 10 10 LEU HD12 H 1 0.918 0.020 . . . . . . A 10 LEU HD12 . 30462 1 66 . 1 . 1 10 10 LEU HD13 H 1 0.918 0.020 . . . . . . A 10 LEU HD13 . 30462 1 67 . 1 . 1 11 11 SER H H 1 8.494 0.020 . . . . . . A 11 SER H . 30462 1 68 . 1 . 1 11 11 SER HA H 1 4.293 0.020 . . . . . . A 11 SER HA . 30462 1 69 . 1 . 1 11 11 SER HB2 H 1 4.019 0.020 . . . . . . A 11 SER HB2 . 30462 1 70 . 1 . 1 11 11 SER HB3 H 1 4.019 0.020 . . . . . . A 11 SER HB3 . 30462 1 71 . 1 . 1 12 12 CYS H H 1 8.357 0.020 . . . . . . A 12 CYS H . 30462 1 72 . 1 . 1 12 12 CYS HA H 1 4.472 0.020 . . . . . . A 12 CYS HA . 30462 1 73 . 1 . 1 12 12 CYS HB2 H 1 2.394 0.020 . . . . . . A 12 CYS HB2 . 30462 1 74 . 1 . 1 13 13 ARG H H 1 8.338 0.020 . . . . . . A 13 ARG H . 30462 1 75 . 1 . 1 13 13 ARG HA H 1 4.479 0.020 . . . . . . A 13 ARG HA . 30462 1 76 . 1 . 1 13 13 ARG HB2 H 1 2.243 0.020 . . . . . . A 13 ARG HB2 . 30462 1 77 . 1 . 1 13 13 ARG HB3 H 1 2.089 0.020 . . . . . . A 13 ARG HB3 . 30462 1 78 . 1 . 1 13 13 ARG HG2 H 1 1.864 0.020 . . . . . . A 13 ARG HG2 . 30462 1 79 . 1 . 1 13 13 ARG HG3 H 1 1.864 0.020 . . . . . . A 13 ARG HG3 . 30462 1 80 . 1 . 1 13 13 ARG HD2 H 1 3.285 0.020 . . . . . . A 13 ARG HD2 . 30462 1 81 . 1 . 1 13 13 ARG HD3 H 1 3.285 0.020 . . . . . . A 13 ARG HD3 . 30462 1 82 . 1 . 1 13 13 ARG HE H 1 7.260 0.020 . . . . . . A 13 ARG HE . 30462 1 83 . 1 . 1 14 14 SER H H 1 7.697 0.020 . . . . . . A 14 SER H . 30462 1 84 . 1 . 1 14 14 SER HA H 1 4.387 0.020 . . . . . . A 14 SER HA . 30462 1 85 . 1 . 1 14 14 SER HB2 H 1 4.082 0.020 . . . . . . A 14 SER HB2 . 30462 1 86 . 1 . 1 14 14 SER HB3 H 1 4.082 0.020 . . . . . . A 14 SER HB3 . 30462 1 87 . 1 . 1 15 15 LEU H H 1 7.412 0.020 . . . . . . A 15 LEU H . 30462 1 88 . 1 . 1 15 15 LEU HA H 1 4.550 0.020 . . . . . . A 15 LEU HA . 30462 1 89 . 1 . 1 15 15 LEU HB2 H 1 1.855 0.020 . . . . . . A 15 LEU HB2 . 30462 1 90 . 1 . 1 15 15 LEU HB3 H 1 1.855 0.020 . . . . . . A 15 LEU HB3 . 30462 1 91 . 1 . 1 15 15 LEU HG H 1 1.753 0.020 . . . . . . A 15 LEU HG . 30462 1 92 . 1 . 1 15 15 LEU HD11 H 1 0.987 0.020 . . . . . . A 15 LEU HD11 . 30462 1 93 . 1 . 1 15 15 LEU HD12 H 1 0.987 0.020 . . . . . . A 15 LEU HD12 . 30462 1 94 . 1 . 1 15 15 LEU HD13 H 1 0.987 0.020 . . . . . . A 15 LEU HD13 . 30462 1 95 . 1 . 1 15 15 LEU HD21 H 1 0.877 0.020 . . . . . . A 15 LEU HD21 . 30462 1 96 . 1 . 1 15 15 LEU HD22 H 1 0.877 0.020 . . . . . . A 15 LEU HD22 . 30462 1 97 . 1 . 1 15 15 LEU HD23 H 1 0.877 0.020 . . . . . . A 15 LEU HD23 . 30462 1 98 . 1 . 1 16 16 GLY H H 1 8.141 0.020 . . . . . . A 16 GLY H . 30462 1 99 . 1 . 1 16 16 GLY HA2 H 1 4.191 0.020 . . . . . . A 16 GLY HA2 . 30462 1 100 . 1 . 1 16 16 GLY HA3 H 1 3.972 0.020 . . . . . . A 16 GLY HA3 . 30462 1 101 . 1 . 1 17 17 LEU H H 1 7.461 0.020 . . . . . . A 17 LEU H . 30462 1 102 . 1 . 1 17 17 LEU HA H 1 4.677 0.020 . . . . . . A 17 LEU HA . 30462 1 103 . 1 . 1 17 17 LEU HB2 H 1 1.433 0.020 . . . . . . A 17 LEU HB2 . 30462 1 104 . 1 . 1 17 17 LEU HB3 H 1 1.433 0.020 . . . . . . A 17 LEU HB3 . 30462 1 105 . 1 . 1 17 17 LEU HG H 1 1.274 0.020 . . . . . . A 17 LEU HG . 30462 1 106 . 1 . 1 17 17 LEU HD11 H 1 0.726 0.020 . . . . . . A 17 LEU HD11 . 30462 1 107 . 1 . 1 17 17 LEU HD12 H 1 0.726 0.020 . . . . . . A 17 LEU HD12 . 30462 1 108 . 1 . 1 17 17 LEU HD13 H 1 0.726 0.020 . . . . . . A 17 LEU HD13 . 30462 1 109 . 1 . 1 18 18 LEU H H 1 8.665 0.020 . . . . . . A 18 LEU H . 30462 1 110 . 1 . 1 18 18 LEU HA H 1 4.292 0.020 . . . . . . A 18 LEU HA . 30462 1 111 . 1 . 1 18 18 LEU HB2 H 1 1.444 0.020 . . . . . . A 18 LEU HB2 . 30462 1 112 . 1 . 1 18 18 LEU HB3 H 1 1.444 0.020 . . . . . . A 18 LEU HB3 . 30462 1 113 . 1 . 1 18 18 LEU HG H 1 1.216 0.020 . . . . . . A 18 LEU HG . 30462 1 114 . 1 . 1 18 18 LEU HD11 H 1 0.841 0.020 . . . . . . A 18 LEU HD11 . 30462 1 115 . 1 . 1 18 18 LEU HD12 H 1 0.841 0.020 . . . . . . A 18 LEU HD12 . 30462 1 116 . 1 . 1 18 18 LEU HD13 H 1 0.841 0.020 . . . . . . A 18 LEU HD13 . 30462 1 117 . 1 . 1 18 18 LEU HD21 H 1 0.731 0.020 . . . . . . A 18 LEU HD21 . 30462 1 118 . 1 . 1 18 18 LEU HD22 H 1 0.731 0.020 . . . . . . A 18 LEU HD22 . 30462 1 119 . 1 . 1 18 18 LEU HD23 H 1 0.731 0.020 . . . . . . A 18 LEU HD23 . 30462 1 120 . 1 . 1 19 19 GLY H H 1 8.045 0.020 . . . . . . A 19 GLY H . 30462 1 121 . 1 . 1 19 19 GLY HA2 H 1 5.279 0.020 . . . . . . A 19 GLY HA2 . 30462 1 122 . 1 . 1 19 19 GLY HA3 H 1 2.976 0.020 . . . . . . A 19 GLY HA3 . 30462 1 123 . 1 . 1 20 20 LYS H H 1 8.889 0.020 . . . . . . A 20 LYS H . 30462 1 124 . 1 . 1 20 20 LYS HA H 1 4.386 0.020 . . . . . . A 20 LYS HA . 30462 1 125 . 1 . 1 20 20 LYS HB2 H 1 1.675 0.020 . . . . . . A 20 LYS HB2 . 30462 1 126 . 1 . 1 20 20 LYS HB3 H 1 1.675 0.020 . . . . . . A 20 LYS HB3 . 30462 1 127 . 1 . 1 20 20 LYS HG2 H 1 1.278 0.020 . . . . . . A 20 LYS HG2 . 30462 1 128 . 1 . 1 20 20 LYS HG3 H 1 1.278 0.020 . . . . . . A 20 LYS HG3 . 30462 1 129 . 1 . 1 20 20 LYS HD2 H 1 1.558 0.020 . . . . . . A 20 LYS HD2 . 30462 1 130 . 1 . 1 20 20 LYS HD3 H 1 1.558 0.020 . . . . . . A 20 LYS HD3 . 30462 1 131 . 1 . 1 20 20 LYS HE2 H 1 2.829 0.020 . . . . . . A 20 LYS HE2 . 30462 1 132 . 1 . 1 20 20 LYS HE3 H 1 2.829 0.020 . . . . . . A 20 LYS HE3 . 30462 1 133 . 1 . 1 21 21 CYS H H 1 8.253 0.020 . . . . . . A 21 CYS H . 30462 1 134 . 1 . 1 21 21 CYS HA H 1 5.300 0.020 . . . . . . A 21 CYS HA . 30462 1 135 . 1 . 1 21 21 CYS HB2 H 1 2.964 0.020 . . . . . . A 21 CYS HB2 . 30462 1 136 . 1 . 1 21 21 CYS HB3 H 1 2.817 0.020 . . . . . . A 21 CYS HB3 . 30462 1 137 . 1 . 1 22 22 ILE H H 1 9.031 0.020 . . . . . . A 22 ILE H . 30462 1 138 . 1 . 1 22 22 ILE HA H 1 4.283 0.020 . . . . . . A 22 ILE HA . 30462 1 139 . 1 . 1 22 22 ILE HB H 1 1.815 0.020 . . . . . . A 22 ILE HB . 30462 1 140 . 1 . 1 22 22 ILE HG12 H 1 1.346 0.020 . . . . . . A 22 ILE HG12 . 30462 1 141 . 1 . 1 22 22 ILE HG13 H 1 1.103 0.020 . . . . . . A 22 ILE HG13 . 30462 1 142 . 1 . 1 22 22 ILE HG21 H 1 0.846 0.020 . . . . . . A 22 ILE HG21 . 30462 1 143 . 1 . 1 22 22 ILE HG22 H 1 0.846 0.020 . . . . . . A 22 ILE HG22 . 30462 1 144 . 1 . 1 22 22 ILE HG23 H 1 0.846 0.020 . . . . . . A 22 ILE HG23 . 30462 1 145 . 1 . 1 22 22 ILE HD11 H 1 0.744 0.020 . . . . . . A 22 ILE HD11 . 30462 1 146 . 1 . 1 22 22 ILE HD12 H 1 0.744 0.020 . . . . . . A 22 ILE HD12 . 30462 1 147 . 1 . 1 22 22 ILE HD13 H 1 0.744 0.020 . . . . . . A 22 ILE HD13 . 30462 1 148 . 1 . 1 23 23 GLY H H 1 8.945 0.020 . . . . . . A 23 GLY H . 30462 1 149 . 1 . 1 23 23 GLY HA2 H 1 3.947 0.020 . . . . . . A 23 GLY HA2 . 30462 1 150 . 1 . 1 23 23 GLY HA3 H 1 3.685 0.020 . . . . . . A 23 GLY HA3 . 30462 1 151 . 1 . 1 24 24 GLU H H 1 8.837 0.020 . . . . . . A 24 GLU H . 30462 1 152 . 1 . 1 24 24 GLU HA H 1 4.184 0.020 . . . . . . A 24 GLU HA . 30462 1 153 . 1 . 1 24 24 GLU HB2 H 1 1.934 0.020 . . . . . . A 24 GLU HB2 . 30462 1 154 . 1 . 1 24 24 GLU HB3 H 1 1.934 0.020 . . . . . . A 24 GLU HB3 . 30462 1 155 . 1 . 1 24 24 GLU HG2 H 1 2.239 0.020 . . . . . . A 24 GLU HG2 . 30462 1 156 . 1 . 1 24 24 GLU HG3 H 1 2.403 0.020 . . . . . . A 24 GLU HG3 . 30462 1 157 . 1 . 1 25 25 GLU H H 1 7.834 0.020 . . . . . . A 25 GLU H . 30462 1 158 . 1 . 1 25 25 GLU HA H 1 4.544 0.020 . . . . . . A 25 GLU HA . 30462 1 159 . 1 . 1 25 25 GLU HB2 H 1 2.101 0.020 . . . . . . A 25 GLU HB2 . 30462 1 160 . 1 . 1 25 25 GLU HB3 H 1 2.019 0.020 . . . . . . A 25 GLU HB3 . 30462 1 161 . 1 . 1 25 25 GLU HG2 H 1 2.378 0.020 . . . . . . A 25 GLU HG2 . 30462 1 162 . 1 . 1 25 25 GLU HG3 H 1 2.378 0.020 . . . . . . A 25 GLU HG3 . 30462 1 163 . 1 . 1 26 26 CYS H H 1 8.657 0.020 . . . . . . A 26 CYS H . 30462 1 164 . 1 . 1 26 26 CYS HA H 1 5.042 0.020 . . . . . . A 26 CYS HA . 30462 1 165 . 1 . 1 26 26 CYS HB2 H 1 3.059 0.020 . . . . . . A 26 CYS HB2 . 30462 1 166 . 1 . 1 26 26 CYS HB3 H 1 2.682 0.020 . . . . . . A 26 CYS HB3 . 30462 1 167 . 1 . 1 27 27 GLU H H 1 9.452 0.020 . . . . . . A 27 GLU H . 30462 1 168 . 1 . 1 27 27 GLU HA H 1 4.779 0.020 . . . . . . A 27 GLU HA . 30462 1 169 . 1 . 1 27 27 GLU HB2 H 1 1.925 0.020 . . . . . . A 27 GLU HB2 . 30462 1 170 . 1 . 1 27 27 GLU HB3 H 1 1.743 0.020 . . . . . . A 27 GLU HB3 . 30462 1 171 . 1 . 1 27 27 GLU HG2 H 1 2.302 0.020 . . . . . . A 27 GLU HG2 . 30462 1 172 . 1 . 1 27 27 GLU HG3 H 1 2.206 0.020 . . . . . . A 27 GLU HG3 . 30462 1 173 . 1 . 1 28 28 CYS H H 1 8.722 0.020 . . . . . . A 28 CYS H . 30462 1 174 . 1 . 1 28 28 CYS HA H 1 5.707 0.020 . . . . . . A 28 CYS HA . 30462 1 175 . 1 . 1 28 28 CYS HB2 H 1 2.618 0.020 . . . . . . A 28 CYS HB2 . 30462 1 176 . 1 . 1 28 28 CYS HB3 H 1 2.957 0.020 . . . . . . A 28 CYS HB3 . 30462 1 177 . 1 . 1 29 29 VAL H H 1 9.431 0.020 . . . . . . A 29 VAL H . 30462 1 178 . 1 . 1 29 29 VAL HA H 1 4.973 0.020 . . . . . . A 29 VAL HA . 30462 1 179 . 1 . 1 29 29 VAL HB H 1 2.277 0.020 . . . . . . A 29 VAL HB . 30462 1 180 . 1 . 1 29 29 VAL HG11 H 1 0.836 0.020 . . . . . . A 29 VAL HG11 . 30462 1 181 . 1 . 1 29 29 VAL HG12 H 1 0.836 0.020 . . . . . . A 29 VAL HG12 . 30462 1 182 . 1 . 1 29 29 VAL HG13 H 1 0.836 0.020 . . . . . . A 29 VAL HG13 . 30462 1 183 . 1 . 1 29 29 VAL HG21 H 1 0.742 0.020 . . . . . . A 29 VAL HG21 . 30462 1 184 . 1 . 1 29 29 VAL HG22 H 1 0.742 0.020 . . . . . . A 29 VAL HG22 . 30462 1 185 . 1 . 1 29 29 VAL HG23 H 1 0.742 0.020 . . . . . . A 29 VAL HG23 . 30462 1 186 . 1 . 1 30 30 PRO HA H 1 4.535 0.020 . . . . . . A 30 PRO HA . 30462 1 187 . 1 . 1 30 30 PRO HB2 H 1 2.311 0.020 . . . . . . A 30 PRO HB2 . 30462 1 188 . 1 . 1 30 30 PRO HB3 H 1 2.041 0.020 . . . . . . A 30 PRO HB3 . 30462 1 189 . 1 . 1 30 30 PRO HG2 H 1 1.908 0.020 . . . . . . A 30 PRO HG2 . 30462 1 190 . 1 . 1 30 30 PRO HG3 H 1 1.908 0.020 . . . . . . A 30 PRO HG3 . 30462 1 191 . 1 . 1 30 30 PRO HD2 H 1 3.631 0.020 . . . . . . A 30 PRO HD2 . 30462 1 192 . 1 . 1 30 30 PRO HD3 H 1 3.826 0.020 . . . . . . A 30 PRO HD3 . 30462 1 193 . 1 . 1 31 31 TYR H H 1 8.245 0.020 . . . . . . A 31 TYR H . 30462 1 194 . 1 . 1 31 31 TYR HA H 1 4.230 0.020 . . . . . . A 31 TYR HA . 30462 1 195 . 1 . 1 31 31 TYR HB2 H 1 3.092 0.020 . . . . . . A 31 TYR HB2 . 30462 1 196 . 1 . 1 31 31 TYR HB3 H 1 2.901 0.020 . . . . . . A 31 TYR HB3 . 30462 1 197 . 1 . 1 31 31 TYR HD1 H 1 7.222 0.020 . . . . . . A 31 TYR HD1 . 30462 1 198 . 1 . 1 31 31 TYR HD2 H 1 7.222 0.020 . . . . . . A 31 TYR HD2 . 30462 1 199 . 1 . 1 31 31 TYR HE1 H 1 6.723 0.020 . . . . . . A 31 TYR HE1 . 30462 1 200 . 1 . 1 31 31 TYR HE2 H 1 6.723 0.020 . . . . . . A 31 TYR HE2 . 30462 1 stop_ save_