################################### # 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 30461 _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' . . . 30461 1 2 '2D 1H-1H NOESY' . . . 30461 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 4.061 0.020 . . . . . . A 1 ALA HA . 30461 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.507 0.020 . . . . . . A 1 ALA HB1 . 30461 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.507 0.020 . . . . . . A 1 ALA HB2 . 30461 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.507 0.020 . . . . . . A 1 ALA HB3 . 30461 1 5 . 1 . 1 2 2 PHE H H 1 8.473 0.020 . . . . . . A 2 PHE H . 30461 1 6 . 1 . 1 2 2 PHE HA H 1 4.685 0.020 . . . . . . A 2 PHE HA . 30461 1 7 . 1 . 1 2 2 PHE HB2 H 1 3.110 0.020 . . . . . . A 2 PHE HB2 . 30461 1 8 . 1 . 1 2 2 PHE HB3 H 1 3.030 0.020 . . . . . . A 2 PHE HB3 . 30461 1 9 . 1 . 1 2 2 PHE HD1 H 1 7.375 0.020 . . . . . . A 2 PHE HD1 . 30461 1 10 . 1 . 1 2 2 PHE HD2 H 1 7.375 0.020 . . . . . . A 2 PHE HD2 . 30461 1 11 . 1 . 1 2 2 PHE HE1 H 1 7.243 0.020 . . . . . . A 2 PHE HE1 . 30461 1 12 . 1 . 1 2 2 PHE HE2 H 1 7.243 0.020 . . . . . . A 2 PHE HE2 . 30461 1 13 . 1 . 1 3 3 CYS H H 1 8.156 0.020 . . . . . . A 3 CYS H . 30461 1 14 . 1 . 1 3 3 CYS HA H 1 4.395 0.020 . . . . . . A 3 CYS HA . 30461 1 15 . 1 . 1 3 3 CYS HB2 H 1 2.773 0.020 . . . . . . A 3 CYS HB2 . 30461 1 16 . 1 . 1 3 3 CYS HB3 H 1 2.670 0.020 . . . . . . A 3 CYS HB3 . 30461 1 17 . 1 . 1 4 4 ASN H H 1 8.684 0.020 . . . . . . A 4 ASN H . 30461 1 18 . 1 . 1 4 4 ASN HA H 1 4.796 0.020 . . . . . . A 4 ASN HA . 30461 1 19 . 1 . 1 4 4 ASN HB2 H 1 2.880 0.020 . . . . . . A 4 ASN HB2 . 30461 1 20 . 1 . 1 4 4 ASN HB3 H 1 2.772 0.020 . . . . . . A 4 ASN HB3 . 30461 1 21 . 1 . 1 4 4 ASN HD21 H 1 7.048 0.020 . . . . . . A 4 ASN HD21 . 30461 1 22 . 1 . 1 4 4 ASN HD22 H 1 7.870 0.020 . . . . . . A 4 ASN HD22 . 30461 1 23 . 1 . 1 5 5 LEU H H 1 8.778 0.020 . . . . . . A 5 LEU H . 30461 1 24 . 1 . 1 5 5 LEU HA H 1 3.974 0.020 . . . . . . A 5 LEU HA . 30461 1 25 . 1 . 1 5 5 LEU HB2 H 1 1.774 0.020 . . . . . . A 5 LEU HB2 . 30461 1 26 . 1 . 1 5 5 LEU HB3 H 1 1.562 0.020 . . . . . . A 5 LEU HB3 . 30461 1 27 . 1 . 1 5 5 LEU HG H 1 1.474 0.020 . . . . . . A 5 LEU HG . 30461 1 28 . 1 . 1 5 5 LEU HD11 H 1 0.945 0.020 . . . . . . A 5 LEU HD11 . 30461 1 29 . 1 . 1 5 5 LEU HD12 H 1 0.945 0.020 . . . . . . A 5 LEU HD12 . 30461 1 30 . 1 . 1 5 5 LEU HD13 H 1 0.945 0.020 . . . . . . A 5 LEU HD13 . 30461 1 31 . 1 . 1 6 6 ARG H H 1 8.302 0.020 . . . . . . A 6 ARG H . 30461 1 32 . 1 . 1 6 6 ARG HA H 1 4.062 0.020 . . . . . . A 6 ARG HA . 30461 1 33 . 1 . 1 6 6 ARG HB2 H 1 1.936 0.020 . . . . . . A 6 ARG HB2 . 30461 1 34 . 1 . 1 6 6 ARG HB3 H 1 1.773 0.020 . . . . . . A 6 ARG HB3 . 30461 1 35 . 1 . 1 6 6 ARG HG2 H 1 1.648 0.020 . . . . . . A 6 ARG HG2 . 30461 1 36 . 1 . 1 6 6 ARG HG3 H 1 1.648 0.020 . . . . . . A 6 ARG HG3 . 30461 1 37 . 1 . 1 6 6 ARG HD2 H 1 3.292 0.020 . . . . . . A 6 ARG HD2 . 30461 1 38 . 1 . 1 6 6 ARG HD3 H 1 3.292 0.020 . . . . . . A 6 ARG HD3 . 30461 1 39 . 1 . 1 6 6 ARG HE H 1 7.292 0.020 . . . . . . A 6 ARG HE . 30461 1 40 . 1 . 1 7 7 ARG H H 1 7.995 0.020 . . . . . . A 7 ARG H . 30461 1 41 . 1 . 1 7 7 ARG HA H 1 4.017 0.020 . . . . . . A 7 ARG HA . 30461 1 42 . 1 . 1 7 7 ARG HB2 H 1 1.929 0.020 . . . . . . A 7 ARG HB2 . 30461 1 43 . 1 . 1 7 7 ARG HB3 H 1 1.842 0.020 . . . . . . A 7 ARG HB3 . 30461 1 44 . 1 . 1 7 7 ARG HG2 H 1 1.663 0.020 . . . . . . A 7 ARG HG2 . 30461 1 45 . 1 . 1 7 7 ARG HG3 H 1 1.663 0.020 . . . . . . A 7 ARG HG3 . 30461 1 46 . 1 . 1 7 7 ARG HD2 H 1 3.241 0.020 . . . . . . A 7 ARG HD2 . 30461 1 47 . 1 . 1 7 7 ARG HD3 H 1 3.241 0.020 . . . . . . A 7 ARG HD3 . 30461 1 48 . 1 . 1 7 7 ARG HE H 1 7.286 0.020 . . . . . . A 7 ARG HE . 30461 1 49 . 1 . 1 8 8 CYS H H 1 8.689 0.020 . . . . . . A 8 CYS H . 30461 1 50 . 1 . 1 8 8 CYS HA H 1 4.620 0.020 . . . . . . A 8 CYS HA . 30461 1 51 . 1 . 1 8 8 CYS HB2 H 1 3.196 0.020 . . . . . . A 8 CYS HB2 . 30461 1 52 . 1 . 1 8 8 CYS HB3 H 1 2.775 0.020 . . . . . . A 8 CYS HB3 . 30461 1 53 . 1 . 1 9 9 GLU H H 1 9.056 0.020 . . . . . . A 9 GLU H . 30461 1 54 . 1 . 1 9 9 GLU HA H 1 3.804 0.020 . . . . . . A 9 GLU HA . 30461 1 55 . 1 . 1 9 9 GLU HB2 H 1 2.414 0.020 . . . . . . A 9 GLU HB2 . 30461 1 56 . 1 . 1 9 9 GLU HB3 H 1 2.086 0.020 . . . . . . A 9 GLU HB3 . 30461 1 57 . 1 . 1 9 9 GLU HG2 H 1 2.673 0.020 . . . . . . A 9 GLU HG2 . 30461 1 58 . 1 . 1 9 9 GLU HG3 H 1 2.595 0.020 . . . . . . A 9 GLU HG3 . 30461 1 59 . 1 . 1 10 10 LEU H H 1 8.126 0.020 . . . . . . A 10 LEU H . 30461 1 60 . 1 . 1 10 10 LEU HA H 1 4.101 0.020 . . . . . . A 10 LEU HA . 30461 1 61 . 1 . 1 10 10 LEU HB2 H 1 1.890 0.020 . . . . . . A 10 LEU HB2 . 30461 1 62 . 1 . 1 10 10 LEU HB3 H 1 1.820 0.020 . . . . . . A 10 LEU HB3 . 30461 1 63 . 1 . 1 10 10 LEU HG H 1 1.687 0.020 . . . . . . A 10 LEU HG . 30461 1 64 . 1 . 1 10 10 LEU HD11 H 1 0.919 0.020 . . . . . . A 10 LEU HD11 . 30461 1 65 . 1 . 1 10 10 LEU HD12 H 1 0.919 0.020 . . . . . . A 10 LEU HD12 . 30461 1 66 . 1 . 1 10 10 LEU HD13 H 1 0.919 0.020 . . . . . . A 10 LEU HD13 . 30461 1 67 . 1 . 1 11 11 SER H H 1 8.434 0.020 . . . . . . A 11 SER H . 30461 1 68 . 1 . 1 11 11 SER HA H 1 4.302 0.020 . . . . . . A 11 SER HA . 30461 1 69 . 1 . 1 11 11 SER HB2 H 1 4.031 0.020 . . . . . . A 11 SER HB2 . 30461 1 70 . 1 . 1 11 11 SER HB3 H 1 4.031 0.020 . . . . . . A 11 SER HB3 . 30461 1 71 . 1 . 1 12 12 CYS H H 1 8.270 0.020 . . . . . . A 12 CYS H . 30461 1 72 . 1 . 1 12 12 CYS HA H 1 4.484 0.020 . . . . . . A 12 CYS HA . 30461 1 73 . 1 . 1 12 12 CYS HB2 H 1 2.390 0.020 . . . . . . A 12 CYS HB2 . 30461 1 74 . 1 . 1 13 13 ARG H H 1 8.332 0.020 . . . . . . A 13 ARG H . 30461 1 75 . 1 . 1 13 13 ARG HA H 1 4.476 0.020 . . . . . . A 13 ARG HA . 30461 1 76 . 1 . 1 13 13 ARG HB2 H 1 2.233 0.020 . . . . . . A 13 ARG HB2 . 30461 1 77 . 1 . 1 13 13 ARG HB3 H 1 2.085 0.020 . . . . . . A 13 ARG HB3 . 30461 1 78 . 1 . 1 13 13 ARG HG2 H 1 1.858 0.020 . . . . . . A 13 ARG HG2 . 30461 1 79 . 1 . 1 13 13 ARG HG3 H 1 1.858 0.020 . . . . . . A 13 ARG HG3 . 30461 1 80 . 1 . 1 13 13 ARG HD2 H 1 3.280 0.020 . . . . . . A 13 ARG HD2 . 30461 1 81 . 1 . 1 13 13 ARG HD3 H 1 3.280 0.020 . . . . . . A 13 ARG HD3 . 30461 1 82 . 1 . 1 13 13 ARG HE H 1 7.260 0.020 . . . . . . A 13 ARG HE . 30461 1 83 . 1 . 1 14 14 SER H H 1 7.719 0.020 . . . . . . A 14 SER H . 30461 1 84 . 1 . 1 14 14 SER HA H 1 4.383 0.020 . . . . . . A 14 SER HA . 30461 1 85 . 1 . 1 14 14 SER HB2 H 1 4.070 0.020 . . . . . . A 14 SER HB2 . 30461 1 86 . 1 . 1 14 14 SER HB3 H 1 4.070 0.020 . . . . . . A 14 SER HB3 . 30461 1 87 . 1 . 1 15 15 LEU H H 1 7.391 0.020 . . . . . . A 15 LEU H . 30461 1 88 . 1 . 1 15 15 LEU HA H 1 4.559 0.020 . . . . . . A 15 LEU HA . 30461 1 89 . 1 . 1 15 15 LEU HB2 H 1 1.851 0.020 . . . . . . A 15 LEU HB2 . 30461 1 90 . 1 . 1 15 15 LEU HB3 H 1 1.851 0.020 . . . . . . A 15 LEU HB3 . 30461 1 91 . 1 . 1 15 15 LEU HG H 1 1.753 0.020 . . . . . . A 15 LEU HG . 30461 1 92 . 1 . 1 15 15 LEU HD11 H 1 0.992 0.020 . . . . . . A 15 LEU HD11 . 30461 1 93 . 1 . 1 15 15 LEU HD12 H 1 0.992 0.020 . . . . . . A 15 LEU HD12 . 30461 1 94 . 1 . 1 15 15 LEU HD13 H 1 0.992 0.020 . . . . . . A 15 LEU HD13 . 30461 1 95 . 1 . 1 15 15 LEU HD21 H 1 0.881 0.020 . . . . . . A 15 LEU HD21 . 30461 1 96 . 1 . 1 15 15 LEU HD22 H 1 0.881 0.020 . . . . . . A 15 LEU HD22 . 30461 1 97 . 1 . 1 15 15 LEU HD23 H 1 0.881 0.020 . . . . . . A 15 LEU HD23 . 30461 1 98 . 1 . 1 16 16 GLY H H 1 8.168 0.020 . . . . . . A 16 GLY H . 30461 1 99 . 1 . 1 16 16 GLY HA2 H 1 4.155 0.020 . . . . . . A 16 GLY HA2 . 30461 1 100 . 1 . 1 16 16 GLY HA3 H 1 3.982 0.020 . . . . . . A 16 GLY HA3 . 30461 1 101 . 1 . 1 17 17 LEU H H 1 7.447 0.020 . . . . . . A 17 LEU H . 30461 1 102 . 1 . 1 17 17 LEU HA H 1 4.648 0.020 . . . . . . A 17 LEU HA . 30461 1 103 . 1 . 1 17 17 LEU HB2 H 1 1.436 0.020 . . . . . . A 17 LEU HB2 . 30461 1 104 . 1 . 1 17 17 LEU HB3 H 1 1.436 0.020 . . . . . . A 17 LEU HB3 . 30461 1 105 . 1 . 1 17 17 LEU HG H 1 1.273 0.020 . . . . . . A 17 LEU HG . 30461 1 106 . 1 . 1 17 17 LEU HD11 H 1 0.732 0.020 . . . . . . A 17 LEU HD11 . 30461 1 107 . 1 . 1 17 17 LEU HD12 H 1 0.732 0.020 . . . . . . A 17 LEU HD12 . 30461 1 108 . 1 . 1 17 17 LEU HD13 H 1 0.732 0.020 . . . . . . A 17 LEU HD13 . 30461 1 109 . 1 . 1 18 18 LEU H H 1 8.637 0.020 . . . . . . A 18 LEU H . 30461 1 110 . 1 . 1 18 18 LEU HA H 1 4.310 0.020 . . . . . . A 18 LEU HA . 30461 1 111 . 1 . 1 18 18 LEU HB2 H 1 1.443 0.020 . . . . . . A 18 LEU HB2 . 30461 1 112 . 1 . 1 18 18 LEU HB3 H 1 1.443 0.020 . . . . . . A 18 LEU HB3 . 30461 1 113 . 1 . 1 18 18 LEU HG H 1 1.210 0.020 . . . . . . A 18 LEU HG . 30461 1 114 . 1 . 1 18 18 LEU HD11 H 1 0.811 0.020 . . . . . . A 18 LEU HD11 . 30461 1 115 . 1 . 1 18 18 LEU HD12 H 1 0.811 0.020 . . . . . . A 18 LEU HD12 . 30461 1 116 . 1 . 1 18 18 LEU HD13 H 1 0.811 0.020 . . . . . . A 18 LEU HD13 . 30461 1 117 . 1 . 1 18 18 LEU HD21 H 1 0.734 0.020 . . . . . . A 18 LEU HD21 . 30461 1 118 . 1 . 1 18 18 LEU HD22 H 1 0.734 0.020 . . . . . . A 18 LEU HD22 . 30461 1 119 . 1 . 1 18 18 LEU HD23 H 1 0.734 0.020 . . . . . . A 18 LEU HD23 . 30461 1 120 . 1 . 1 19 19 GLY H H 1 8.035 0.020 . . . . . . A 19 GLY H . 30461 1 121 . 1 . 1 19 19 GLY HA2 H 1 5.180 0.020 . . . . . . A 19 GLY HA2 . 30461 1 122 . 1 . 1 19 19 GLY HA3 H 1 2.983 0.020 . . . . . . A 19 GLY HA3 . 30461 1 123 . 1 . 1 20 20 LYS H H 1 8.824 0.020 . . . . . . A 20 LYS H . 30461 1 124 . 1 . 1 20 20 LYS HA H 1 4.385 0.020 . . . . . . A 20 LYS HA . 30461 1 125 . 1 . 1 20 20 LYS HB2 H 1 1.671 0.020 . . . . . . A 20 LYS HB2 . 30461 1 126 . 1 . 1 20 20 LYS HB3 H 1 1.671 0.020 . . . . . . A 20 LYS HB3 . 30461 1 127 . 1 . 1 20 20 LYS HG2 H 1 1.280 0.020 . . . . . . A 20 LYS HG2 . 30461 1 128 . 1 . 1 20 20 LYS HG3 H 1 1.280 0.020 . . . . . . A 20 LYS HG3 . 30461 1 129 . 1 . 1 20 20 LYS HD2 H 1 1.537 0.020 . . . . . . A 20 LYS HD2 . 30461 1 130 . 1 . 1 20 20 LYS HD3 H 1 1.537 0.020 . . . . . . A 20 LYS HD3 . 30461 1 131 . 1 . 1 20 20 LYS HE2 H 1 2.853 0.020 . . . . . . A 20 LYS HE2 . 30461 1 132 . 1 . 1 20 20 LYS HE3 H 1 2.853 0.020 . . . . . . A 20 LYS HE3 . 30461 1 133 . 1 . 1 21 21 CYS H H 1 8.254 0.020 . . . . . . A 21 CYS H . 30461 1 134 . 1 . 1 21 21 CYS HA H 1 5.254 0.020 . . . . . . A 21 CYS HA . 30461 1 135 . 1 . 1 21 21 CYS HB2 H 1 2.905 0.020 . . . . . . A 21 CYS HB2 . 30461 1 136 . 1 . 1 21 21 CYS HB3 H 1 2.834 0.020 . . . . . . A 21 CYS HB3 . 30461 1 137 . 1 . 1 22 22 ILE H H 1 9.043 0.020 . . . . . . A 22 ILE H . 30461 1 138 . 1 . 1 22 22 ILE HA H 1 4.283 0.020 . . . . . . A 22 ILE HA . 30461 1 139 . 1 . 1 22 22 ILE HB H 1 1.770 0.020 . . . . . . A 22 ILE HB . 30461 1 140 . 1 . 1 22 22 ILE HG12 H 1 1.396 0.020 . . . . . . A 22 ILE HG12 . 30461 1 141 . 1 . 1 22 22 ILE HG13 H 1 1.091 0.020 . . . . . . A 22 ILE HG13 . 30461 1 142 . 1 . 1 22 22 ILE HG21 H 1 0.866 0.020 . . . . . . A 22 ILE HG21 . 30461 1 143 . 1 . 1 22 22 ILE HG22 H 1 0.866 0.020 . . . . . . A 22 ILE HG22 . 30461 1 144 . 1 . 1 22 22 ILE HG23 H 1 0.866 0.020 . . . . . . A 22 ILE HG23 . 30461 1 145 . 1 . 1 22 22 ILE HD11 H 1 0.785 0.020 . . . . . . A 22 ILE HD11 . 30461 1 146 . 1 . 1 22 22 ILE HD12 H 1 0.785 0.020 . . . . . . A 22 ILE HD12 . 30461 1 147 . 1 . 1 22 22 ILE HD13 H 1 0.785 0.020 . . . . . . A 22 ILE HD13 . 30461 1 148 . 1 . 1 23 23 GLY H H 1 9.106 0.020 . . . . . . A 23 GLY H . 30461 1 149 . 1 . 1 23 23 GLY HA2 H 1 3.885 0.020 . . . . . . A 23 GLY HA2 . 30461 1 150 . 1 . 1 23 23 GLY HA3 H 1 3.758 0.020 . . . . . . A 23 GLY HA3 . 30461 1 151 . 1 . 1 24 24 GLU H H 1 8.810 0.020 . . . . . . A 24 GLU H . 30461 1 152 . 1 . 1 24 24 GLU HA H 1 4.052 0.020 . . . . . . A 24 GLU HA . 30461 1 153 . 1 . 1 24 24 GLU HB2 H 1 2.031 0.020 . . . . . . A 24 GLU HB2 . 30461 1 154 . 1 . 1 24 24 GLU HB3 H 1 2.031 0.020 . . . . . . A 24 GLU HB3 . 30461 1 155 . 1 . 1 24 24 GLU HG2 H 1 2.413 0.020 . . . . . . A 24 GLU HG2 . 30461 1 156 . 1 . 1 24 24 GLU HG3 H 1 2.264 0.020 . . . . . . A 24 GLU HG3 . 30461 1 157 . 1 . 1 25 25 LYS H H 1 7.660 0.020 . . . . . . A 25 LYS H . 30461 1 158 . 1 . 1 25 25 LYS HA H 1 4.506 0.020 . . . . . . A 25 LYS HA . 30461 1 159 . 1 . 1 25 25 LYS HB2 H 1 1.780 0.020 . . . . . . A 25 LYS HB2 . 30461 1 160 . 1 . 1 25 25 LYS HB3 H 1 1.780 0.020 . . . . . . A 25 LYS HB3 . 30461 1 161 . 1 . 1 25 25 LYS HG2 H 1 1.374 0.020 . . . . . . A 25 LYS HG2 . 30461 1 162 . 1 . 1 25 25 LYS HG3 H 1 1.374 0.020 . . . . . . A 25 LYS HG3 . 30461 1 163 . 1 . 1 25 25 LYS HD2 H 1 1.670 0.020 . . . . . . A 25 LYS HD2 . 30461 1 164 . 1 . 1 25 25 LYS HD3 H 1 1.670 0.020 . . . . . . A 25 LYS HD3 . 30461 1 165 . 1 . 1 25 25 LYS HE2 H 1 2.843 0.020 . . . . . . A 25 LYS HE2 . 30461 1 166 . 1 . 1 25 25 LYS HE3 H 1 2.843 0.020 . . . . . . A 25 LYS HE3 . 30461 1 167 . 1 . 1 26 26 CYS H H 1 8.610 0.020 . . . . . . A 26 CYS H . 30461 1 168 . 1 . 1 26 26 CYS HA H 1 4.996 0.020 . . . . . . A 26 CYS HA . 30461 1 169 . 1 . 1 26 26 CYS HB2 H 1 3.046 0.020 . . . . . . A 26 CYS HB2 . 30461 1 170 . 1 . 1 26 26 CYS HB3 H 1 2.671 0.020 . . . . . . A 26 CYS HB3 . 30461 1 171 . 1 . 1 27 27 LYS H H 1 9.536 0.020 . . . . . . A 27 LYS H . 30461 1 172 . 1 . 1 27 27 LYS HA H 1 4.639 0.020 . . . . . . A 27 LYS HA . 30461 1 173 . 1 . 1 27 27 LYS HB2 H 1 1.742 0.020 . . . . . . A 27 LYS HB2 . 30461 1 174 . 1 . 1 27 27 LYS HB3 H 1 1.607 0.020 . . . . . . A 27 LYS HB3 . 30461 1 175 . 1 . 1 27 27 LYS HG2 H 1 1.319 0.020 . . . . . . A 27 LYS HG2 . 30461 1 176 . 1 . 1 27 27 LYS HG3 H 1 1.319 0.020 . . . . . . A 27 LYS HG3 . 30461 1 177 . 1 . 1 27 27 LYS HD2 H 1 1.405 0.020 . . . . . . A 27 LYS HD2 . 30461 1 178 . 1 . 1 27 27 LYS HD3 H 1 1.405 0.020 . . . . . . A 27 LYS HD3 . 30461 1 179 . 1 . 1 27 27 LYS HE2 H 1 2.919 0.020 . . . . . . A 27 LYS HE2 . 30461 1 180 . 1 . 1 27 27 LYS HE3 H 1 2.919 0.020 . . . . . . A 27 LYS HE3 . 30461 1 181 . 1 . 1 28 28 CYS H H 1 8.544 0.020 . . . . . . A 28 CYS H . 30461 1 182 . 1 . 1 28 28 CYS HA H 1 5.687 0.020 . . . . . . A 28 CYS HA . 30461 1 183 . 1 . 1 28 28 CYS HB2 H 1 2.648 0.020 . . . . . . A 28 CYS HB2 . 30461 1 184 . 1 . 1 28 28 CYS HB3 H 1 2.944 0.020 . . . . . . A 28 CYS HB3 . 30461 1 185 . 1 . 1 29 29 VAL H H 1 9.515 0.020 . . . . . . A 29 VAL H . 30461 1 186 . 1 . 1 29 29 VAL HA H 1 4.932 0.020 . . . . . . A 29 VAL HA . 30461 1 187 . 1 . 1 29 29 VAL HB H 1 2.280 0.020 . . . . . . A 29 VAL HB . 30461 1 188 . 1 . 1 29 29 VAL HG11 H 1 0.733 0.020 . . . . . . A 29 VAL HG11 . 30461 1 189 . 1 . 1 29 29 VAL HG12 H 1 0.733 0.020 . . . . . . A 29 VAL HG12 . 30461 1 190 . 1 . 1 29 29 VAL HG13 H 1 0.733 0.020 . . . . . . A 29 VAL HG13 . 30461 1 191 . 1 . 1 29 29 VAL HG21 H 1 0.842 0.020 . . . . . . A 29 VAL HG21 . 30461 1 192 . 1 . 1 29 29 VAL HG22 H 1 0.842 0.020 . . . . . . A 29 VAL HG22 . 30461 1 193 . 1 . 1 29 29 VAL HG23 H 1 0.842 0.020 . . . . . . A 29 VAL HG23 . 30461 1 194 . 1 . 1 30 30 PRO HA H 1 4.546 0.020 . . . . . . A 30 PRO HA . 30461 1 195 . 1 . 1 30 30 PRO HB2 H 1 2.332 0.020 . . . . . . A 30 PRO HB2 . 30461 1 196 . 1 . 1 30 30 PRO HB3 H 1 2.047 0.020 . . . . . . A 30 PRO HB3 . 30461 1 197 . 1 . 1 30 30 PRO HG2 H 1 1.906 0.020 . . . . . . A 30 PRO HG2 . 30461 1 198 . 1 . 1 30 30 PRO HG3 H 1 1.906 0.020 . . . . . . A 30 PRO HG3 . 30461 1 199 . 1 . 1 30 30 PRO HD2 H 1 3.806 0.020 . . . . . . A 30 PRO HD2 . 30461 1 200 . 1 . 1 30 30 PRO HD3 H 1 3.631 0.020 . . . . . . A 30 PRO HD3 . 30461 1 201 . 1 . 1 31 31 TYR H H 1 8.392 0.020 . . . . . . A 31 TYR H . 30461 1 202 . 1 . 1 31 31 TYR HA H 1 4.263 0.020 . . . . . . A 31 TYR HA . 30461 1 203 . 1 . 1 31 31 TYR HB2 H 1 3.109 0.020 . . . . . . A 31 TYR HB2 . 30461 1 204 . 1 . 1 31 31 TYR HB3 H 1 2.913 0.020 . . . . . . A 31 TYR HB3 . 30461 1 205 . 1 . 1 31 31 TYR HD1 H 1 7.225 0.020 . . . . . . A 31 TYR HD1 . 30461 1 206 . 1 . 1 31 31 TYR HD2 H 1 7.225 0.020 . . . . . . A 31 TYR HD2 . 30461 1 207 . 1 . 1 31 31 TYR HE1 H 1 6.721 0.020 . . . . . . A 31 TYR HE1 . 30461 1 208 . 1 . 1 31 31 TYR HE2 H 1 6.721 0.020 . . . . . . A 31 TYR HE2 . 30461 1 stop_ save_