################################### # 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 30465 _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' . . . 30465 1 2 '2D 1H-1H NOESY' . . . 30465 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 4.065 0.020 . . . . . . A 1 ALA HA . 30465 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.505 0.020 . . . . . . A 1 ALA HB1 . 30465 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.505 0.020 . . . . . . A 1 ALA HB2 . 30465 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.505 0.020 . . . . . . A 1 ALA HB3 . 30465 1 5 . 1 . 1 2 2 PHE H H 1 8.453 0.020 . . . . . . A 2 PHE H . 30465 1 6 . 1 . 1 2 2 PHE HA H 1 4.676 0.020 . . . . . . A 2 PHE HA . 30465 1 7 . 1 . 1 2 2 PHE HB2 H 1 3.090 0.020 . . . . . . A 2 PHE HB2 . 30465 1 8 . 1 . 1 2 2 PHE HB3 H 1 3.033 0.020 . . . . . . A 2 PHE HB3 . 30465 1 9 . 1 . 1 2 2 PHE HD1 H 1 7.372 0.020 . . . . . . A 2 PHE HD1 . 30465 1 10 . 1 . 1 2 2 PHE HD2 H 1 7.372 0.020 . . . . . . A 2 PHE HD2 . 30465 1 11 . 1 . 1 2 2 PHE HE1 H 1 7.238 0.020 . . . . . . A 2 PHE HE1 . 30465 1 12 . 1 . 1 2 2 PHE HE2 H 1 7.238 0.020 . . . . . . A 2 PHE HE2 . 30465 1 13 . 1 . 1 3 3 CYS H H 1 8.197 0.020 . . . . . . A 3 CYS H . 30465 1 14 . 1 . 1 3 3 CYS HA H 1 4.387 0.020 . . . . . . A 3 CYS HA . 30465 1 15 . 1 . 1 3 3 CYS HB2 H 1 2.776 0.020 . . . . . . A 3 CYS HB2 . 30465 1 16 . 1 . 1 3 3 CYS HB3 H 1 2.667 0.020 . . . . . . A 3 CYS HB3 . 30465 1 17 . 1 . 1 4 4 ASN H H 1 8.688 0.020 . . . . . . A 4 ASN H . 30465 1 18 . 1 . 1 4 4 ASN HA H 1 4.793 0.020 . . . . . . A 4 ASN HA . 30465 1 19 . 1 . 1 4 4 ASN HB2 H 1 2.782 0.020 . . . . . . A 4 ASN HB2 . 30465 1 20 . 1 . 1 4 4 ASN HB3 H 1 2.871 0.020 . . . . . . A 4 ASN HB3 . 30465 1 21 . 1 . 1 4 4 ASN HD21 H 1 7.044 0.020 . . . . . . A 4 ASN HD21 . 30465 1 22 . 1 . 1 4 4 ASN HD22 H 1 7.872 0.020 . . . . . . A 4 ASN HD22 . 30465 1 23 . 1 . 1 5 5 LEU H H 1 8.786 0.020 . . . . . . A 5 LEU H . 30465 1 24 . 1 . 1 5 5 LEU HA H 1 3.973 0.020 . . . . . . A 5 LEU HA . 30465 1 25 . 1 . 1 5 5 LEU HB2 H 1 1.776 0.020 . . . . . . A 5 LEU HB2 . 30465 1 26 . 1 . 1 5 5 LEU HB3 H 1 1.567 0.020 . . . . . . A 5 LEU HB3 . 30465 1 27 . 1 . 1 5 5 LEU HG H 1 1.480 0.020 . . . . . . A 5 LEU HG . 30465 1 28 . 1 . 1 5 5 LEU HD11 H 1 0.940 0.020 . . . . . . A 5 LEU HD11 . 30465 1 29 . 1 . 1 5 5 LEU HD12 H 1 0.940 0.020 . . . . . . A 5 LEU HD12 . 30465 1 30 . 1 . 1 5 5 LEU HD13 H 1 0.940 0.020 . . . . . . A 5 LEU HD13 . 30465 1 31 . 1 . 1 6 6 ARG H H 1 8.291 0.020 . . . . . . A 6 ARG H . 30465 1 32 . 1 . 1 6 6 ARG HA H 1 4.058 0.020 . . . . . . A 6 ARG HA . 30465 1 33 . 1 . 1 6 6 ARG HB2 H 1 1.925 0.020 . . . . . . A 6 ARG HB2 . 30465 1 34 . 1 . 1 6 6 ARG HB3 H 1 1.736 0.020 . . . . . . A 6 ARG HB3 . 30465 1 35 . 1 . 1 6 6 ARG HG2 H 1 1.636 0.020 . . . . . . A 6 ARG HG2 . 30465 1 36 . 1 . 1 6 6 ARG HG3 H 1 1.636 0.020 . . . . . . A 6 ARG HG3 . 30465 1 37 . 1 . 1 6 6 ARG HD2 H 1 3.276 0.020 . . . . . . A 6 ARG HD2 . 30465 1 38 . 1 . 1 6 6 ARG HD3 H 1 3.276 0.020 . . . . . . A 6 ARG HD3 . 30465 1 39 . 1 . 1 6 6 ARG HE H 1 7.292 0.020 . . . . . . A 6 ARG HE . 30465 1 40 . 1 . 1 7 7 ARG H H 1 7.978 0.020 . . . . . . A 7 ARG H . 30465 1 41 . 1 . 1 7 7 ARG HA H 1 4.012 0.020 . . . . . . A 7 ARG HA . 30465 1 42 . 1 . 1 7 7 ARG HB2 H 1 1.926 0.020 . . . . . . A 7 ARG HB2 . 30465 1 43 . 1 . 1 7 7 ARG HB3 H 1 1.840 0.020 . . . . . . A 7 ARG HB3 . 30465 1 44 . 1 . 1 7 7 ARG HG2 H 1 1.666 0.020 . . . . . . A 7 ARG HG2 . 30465 1 45 . 1 . 1 7 7 ARG HG3 H 1 1.666 0.020 . . . . . . A 7 ARG HG3 . 30465 1 46 . 1 . 1 7 7 ARG HD2 H 1 3.245 0.020 . . . . . . A 7 ARG HD2 . 30465 1 47 . 1 . 1 7 7 ARG HD3 H 1 3.245 0.020 . . . . . . A 7 ARG HD3 . 30465 1 48 . 1 . 1 7 7 ARG HE H 1 7.286 0.020 . . . . . . A 7 ARG HE . 30465 1 49 . 1 . 1 8 8 CYS H H 1 8.692 0.020 . . . . . . A 8 CYS H . 30465 1 50 . 1 . 1 8 8 CYS HA H 1 4.620 0.020 . . . . . . A 8 CYS HA . 30465 1 51 . 1 . 1 8 8 CYS HB2 H 1 3.191 0.020 . . . . . . A 8 CYS HB2 . 30465 1 52 . 1 . 1 8 8 CYS HB3 H 1 2.777 0.020 . . . . . . A 8 CYS HB3 . 30465 1 53 . 1 . 1 9 9 GLU H H 1 9.017 0.020 . . . . . . A 9 GLU H . 30465 1 54 . 1 . 1 9 9 GLU HA H 1 3.794 0.020 . . . . . . A 9 GLU HA . 30465 1 55 . 1 . 1 9 9 GLU HB2 H 1 2.386 0.020 . . . . . . A 9 GLU HB2 . 30465 1 56 . 1 . 1 9 9 GLU HB3 H 1 2.059 0.020 . . . . . . A 9 GLU HB3 . 30465 1 57 . 1 . 1 9 9 GLU HG2 H 1 2.642 0.020 . . . . . . A 9 GLU HG2 . 30465 1 58 . 1 . 1 9 9 GLU HG3 H 1 2.642 0.020 . . . . . . A 9 GLU HG3 . 30465 1 59 . 1 . 1 10 10 LEU H H 1 8.053 0.020 . . . . . . A 10 LEU H . 30465 1 60 . 1 . 1 10 10 LEU HA H 1 4.081 0.020 . . . . . . A 10 LEU HA . 30465 1 61 . 1 . 1 10 10 LEU HB2 H 1 1.885 0.020 . . . . . . A 10 LEU HB2 . 30465 1 62 . 1 . 1 10 10 LEU HB3 H 1 1.818 0.020 . . . . . . A 10 LEU HB3 . 30465 1 63 . 1 . 1 10 10 LEU HG H 1 1.675 0.020 . . . . . . A 10 LEU HG . 30465 1 64 . 1 . 1 10 10 LEU HD21 H 1 0.910 0.020 . . . . . . A 10 LEU HD21 . 30465 1 65 . 1 . 1 10 10 LEU HD22 H 1 0.910 0.020 . . . . . . A 10 LEU HD22 . 30465 1 66 . 1 . 1 10 10 LEU HD23 H 1 0.910 0.020 . . . . . . A 10 LEU HD23 . 30465 1 67 . 1 . 1 11 11 SER H H 1 8.438 0.020 . . . . . . A 11 SER H . 30465 1 68 . 1 . 1 11 11 SER HA H 1 4.293 0.020 . . . . . . A 11 SER HA . 30465 1 69 . 1 . 1 11 11 SER HB2 H 1 4.027 0.020 . . . . . . A 11 SER HB2 . 30465 1 70 . 1 . 1 11 11 SER HB3 H 1 4.027 0.020 . . . . . . A 11 SER HB3 . 30465 1 71 . 1 . 1 12 12 CYS H H 1 8.298 0.020 . . . . . . A 12 CYS H . 30465 1 72 . 1 . 1 12 12 CYS HA H 1 4.492 0.020 . . . . . . A 12 CYS HA . 30465 1 73 . 1 . 1 12 12 CYS HB2 H 1 2.347 0.020 . . . . . . A 12 CYS HB2 . 30465 1 74 . 1 . 1 12 12 CYS HB3 H 1 2.400 0.020 . . . . . . A 12 CYS HB3 . 30465 1 75 . 1 . 1 13 13 ARG H H 1 8.329 0.020 . . . . . . A 13 ARG H . 30465 1 76 . 1 . 1 13 13 ARG HA H 1 4.378 0.020 . . . . . . A 13 ARG HA . 30465 1 77 . 1 . 1 13 13 ARG HB2 H 1 2.191 0.020 . . . . . . A 13 ARG HB2 . 30465 1 78 . 1 . 1 13 13 ARG HB3 H 1 2.067 0.020 . . . . . . A 13 ARG HB3 . 30465 1 79 . 1 . 1 13 13 ARG HG2 H 1 1.824 0.020 . . . . . . A 13 ARG HG2 . 30465 1 80 . 1 . 1 13 13 ARG HG3 H 1 1.824 0.020 . . . . . . A 13 ARG HG3 . 30465 1 81 . 1 . 1 13 13 ARG HD2 H 1 3.255 0.020 . . . . . . A 13 ARG HD2 . 30465 1 82 . 1 . 1 13 13 ARG HD3 H 1 3.255 0.020 . . . . . . A 13 ARG HD3 . 30465 1 83 . 1 . 1 13 13 ARG HE H 1 7.260 0.020 . . . . . . A 13 ARG HE . 30465 1 84 . 1 . 1 14 14 SER H H 1 7.727 0.020 . . . . . . A 14 SER H . 30465 1 85 . 1 . 1 14 14 SER HA H 1 4.372 0.020 . . . . . . A 14 SER HA . 30465 1 86 . 1 . 1 14 14 SER HB2 H 1 4.066 0.020 . . . . . . A 14 SER HB2 . 30465 1 87 . 1 . 1 14 14 SER HB3 H 1 4.066 0.020 . . . . . . A 14 SER HB3 . 30465 1 88 . 1 . 1 15 15 LEU H H 1 7.343 0.020 . . . . . . A 15 LEU H . 30465 1 89 . 1 . 1 15 15 LEU HA H 1 4.558 0.020 . . . . . . A 15 LEU HA . 30465 1 90 . 1 . 1 15 15 LEU HB2 H 1 1.832 0.020 . . . . . . A 15 LEU HB2 . 30465 1 91 . 1 . 1 15 15 LEU HB3 H 1 1.832 0.020 . . . . . . A 15 LEU HB3 . 30465 1 92 . 1 . 1 15 15 LEU HG H 1 1.756 0.020 . . . . . . A 15 LEU HG . 30465 1 93 . 1 . 1 15 15 LEU HD11 H 1 0.995 0.020 . . . . . . A 15 LEU HD11 . 30465 1 94 . 1 . 1 15 15 LEU HD12 H 1 0.995 0.020 . . . . . . A 15 LEU HD12 . 30465 1 95 . 1 . 1 15 15 LEU HD13 H 1 0.995 0.020 . . . . . . A 15 LEU HD13 . 30465 1 96 . 1 . 1 15 15 LEU HD21 H 1 0.876 0.020 . . . . . . A 15 LEU HD21 . 30465 1 97 . 1 . 1 15 15 LEU HD22 H 1 0.876 0.020 . . . . . . A 15 LEU HD22 . 30465 1 98 . 1 . 1 15 15 LEU HD23 H 1 0.876 0.020 . . . . . . A 15 LEU HD23 . 30465 1 99 . 1 . 1 16 16 GLY H H 1 8.151 0.020 . . . . . . A 16 GLY H . 30465 1 100 . 1 . 1 16 16 GLY HA2 H 1 4.151 0.020 . . . . . . A 16 GLY HA2 . 30465 1 101 . 1 . 1 16 16 GLY HA3 H 1 3.921 0.020 . . . . . . A 16 GLY HA3 . 30465 1 102 . 1 . 1 17 17 LEU H H 1 7.446 0.020 . . . . . . A 17 LEU H . 30465 1 103 . 1 . 1 17 17 LEU HA H 1 4.708 0.020 . . . . . . A 17 LEU HA . 30465 1 104 . 1 . 1 17 17 LEU HB2 H 1 1.518 0.020 . . . . . . A 17 LEU HB2 . 30465 1 105 . 1 . 1 17 17 LEU HB3 H 1 1.433 0.020 . . . . . . A 17 LEU HB3 . 30465 1 106 . 1 . 1 17 17 LEU HG H 1 1.331 0.020 . . . . . . A 17 LEU HG . 30465 1 107 . 1 . 1 17 17 LEU HD21 H 1 0.738 0.020 . . . . . . A 17 LEU HD21 . 30465 1 108 . 1 . 1 17 17 LEU HD22 H 1 0.738 0.020 . . . . . . A 17 LEU HD22 . 30465 1 109 . 1 . 1 17 17 LEU HD23 H 1 0.738 0.020 . . . . . . A 17 LEU HD23 . 30465 1 110 . 1 . 1 18 18 LEU H H 1 8.697 0.020 . . . . . . A 18 LEU H . 30465 1 111 . 1 . 1 18 18 LEU HA H 1 4.559 0.020 . . . . . . A 18 LEU HA . 30465 1 112 . 1 . 1 18 18 LEU HB2 H 1 1.496 0.020 . . . . . . A 18 LEU HB2 . 30465 1 113 . 1 . 1 18 18 LEU HB3 H 1 1.496 0.020 . . . . . . A 18 LEU HB3 . 30465 1 114 . 1 . 1 18 18 LEU HG H 1 1.367 0.020 . . . . . . A 18 LEU HG . 30465 1 115 . 1 . 1 18 18 LEU HD11 H 1 0.831 0.020 . . . . . . A 18 LEU HD11 . 30465 1 116 . 1 . 1 18 18 LEU HD12 H 1 0.831 0.020 . . . . . . A 18 LEU HD12 . 30465 1 117 . 1 . 1 18 18 LEU HD13 H 1 0.831 0.020 . . . . . . A 18 LEU HD13 . 30465 1 118 . 1 . 1 18 18 LEU HD21 H 1 0.781 0.020 . . . . . . A 18 LEU HD21 . 30465 1 119 . 1 . 1 18 18 LEU HD22 H 1 0.781 0.020 . . . . . . A 18 LEU HD22 . 30465 1 120 . 1 . 1 18 18 LEU HD23 H 1 0.781 0.020 . . . . . . A 18 LEU HD23 . 30465 1 121 . 1 . 1 19 19 GLY H H 1 8.263 0.020 . . . . . . A 19 GLY H . 30465 1 122 . 1 . 1 19 19 GLY HA2 H 1 5.247 0.020 . . . . . . A 19 GLY HA2 . 30465 1 123 . 1 . 1 19 19 GLY HA3 H 1 3.026 0.020 . . . . . . A 19 GLY HA3 . 30465 1 124 . 1 . 1 20 20 LYS H H 1 8.832 0.020 . . . . . . A 20 LYS H . 30465 1 125 . 1 . 1 20 20 LYS HA H 1 4.402 0.020 . . . . . . A 20 LYS HA . 30465 1 126 . 1 . 1 20 20 LYS HB2 H 1 1.690 0.020 . . . . . . A 20 LYS HB2 . 30465 1 127 . 1 . 1 20 20 LYS HB3 H 1 1.690 0.020 . . . . . . A 20 LYS HB3 . 30465 1 128 . 1 . 1 20 20 LYS HG2 H 1 1.283 0.020 . . . . . . A 20 LYS HG2 . 30465 1 129 . 1 . 1 20 20 LYS HG3 H 1 1.283 0.020 . . . . . . A 20 LYS HG3 . 30465 1 130 . 1 . 1 20 20 LYS HD2 H 1 1.558 0.020 . . . . . . A 20 LYS HD2 . 30465 1 131 . 1 . 1 20 20 LYS HD3 H 1 1.558 0.020 . . . . . . A 20 LYS HD3 . 30465 1 132 . 1 . 1 20 20 LYS HE2 H 1 2.849 0.020 . . . . . . A 20 LYS HE2 . 30465 1 133 . 1 . 1 20 20 LYS HE3 H 1 2.849 0.020 . . . . . . A 20 LYS HE3 . 30465 1 134 . 1 . 1 21 21 CYS H H 1 8.266 0.020 . . . . . . A 21 CYS H . 30465 1 135 . 1 . 1 21 21 CYS HA H 1 5.294 0.020 . . . . . . A 21 CYS HA . 30465 1 136 . 1 . 1 21 21 CYS HB2 H 1 2.925 0.020 . . . . . . A 21 CYS HB2 . 30465 1 137 . 1 . 1 21 21 CYS HB3 H 1 2.824 0.020 . . . . . . A 21 CYS HB3 . 30465 1 138 . 1 . 1 22 22 ILE H H 1 9.043 0.020 . . . . . . A 22 ILE H . 30465 1 139 . 1 . 1 22 22 ILE HA H 1 4.266 0.020 . . . . . . A 22 ILE HA . 30465 1 140 . 1 . 1 22 22 ILE HB H 1 1.793 0.020 . . . . . . A 22 ILE HB . 30465 1 141 . 1 . 1 22 22 ILE HG12 H 1 1.402 0.020 . . . . . . A 22 ILE HG12 . 30465 1 142 . 1 . 1 22 22 ILE HG13 H 1 1.095 0.020 . . . . . . A 22 ILE HG13 . 30465 1 143 . 1 . 1 22 22 ILE HG21 H 1 0.870 0.020 . . . . . . A 22 ILE HG21 . 30465 1 144 . 1 . 1 22 22 ILE HG22 H 1 0.870 0.020 . . . . . . A 22 ILE HG22 . 30465 1 145 . 1 . 1 22 22 ILE HG23 H 1 0.870 0.020 . . . . . . A 22 ILE HG23 . 30465 1 146 . 1 . 1 22 22 ILE HD11 H 1 0.792 0.020 . . . . . . A 22 ILE HD11 . 30465 1 147 . 1 . 1 22 22 ILE HD12 H 1 0.792 0.020 . . . . . . A 22 ILE HD12 . 30465 1 148 . 1 . 1 22 22 ILE HD13 H 1 0.792 0.020 . . . . . . A 22 ILE HD13 . 30465 1 149 . 1 . 1 23 23 GLY H H 1 9.031 0.020 . . . . . . A 23 GLY H . 30465 1 150 . 1 . 1 23 23 GLY HA2 H 1 3.934 0.020 . . . . . . A 23 GLY HA2 . 30465 1 151 . 1 . 1 23 23 GLY HA3 H 1 3.724 0.020 . . . . . . A 23 GLY HA3 . 30465 1 152 . 1 . 1 24 24 GLU H H 1 8.845 0.020 . . . . . . A 24 GLU H . 30465 1 153 . 1 . 1 24 24 GLU HA H 1 4.138 0.020 . . . . . . A 24 GLU HA . 30465 1 154 . 1 . 1 24 24 GLU HB2 H 1 1.972 0.020 . . . . . . A 24 GLU HB2 . 30465 1 155 . 1 . 1 24 24 GLU HB3 H 1 1.972 0.020 . . . . . . A 24 GLU HB3 . 30465 1 156 . 1 . 1 24 24 GLU HG2 H 1 2.423 0.020 . . . . . . A 24 GLU HG2 . 30465 1 157 . 1 . 1 24 24 GLU HG3 H 1 2.252 0.020 . . . . . . A 24 GLU HG3 . 30465 1 158 . 1 . 1 25 25 GLU H H 1 7.732 0.020 . . . . . . A 25 GLU H . 30465 1 159 . 1 . 1 25 25 GLU HA H 1 4.535 0.020 . . . . . . A 25 GLU HA . 30465 1 160 . 1 . 1 25 25 GLU HB2 H 1 2.068 0.020 . . . . . . A 25 GLU HB2 . 30465 1 161 . 1 . 1 25 25 GLU HB3 H 1 1.989 0.020 . . . . . . A 25 GLU HB3 . 30465 1 162 . 1 . 1 25 25 GLU HG2 H 1 2.420 0.020 . . . . . . A 25 GLU HG2 . 30465 1 163 . 1 . 1 25 25 GLU HG3 H 1 2.364 0.020 . . . . . . A 25 GLU HG3 . 30465 1 164 . 1 . 1 26 26 CYS H H 1 8.684 0.020 . . . . . . A 26 CYS H . 30465 1 165 . 1 . 1 26 26 CYS HA H 1 5.027 0.020 . . . . . . A 26 CYS HA . 30465 1 166 . 1 . 1 26 26 CYS HB2 H 1 3.058 0.020 . . . . . . A 26 CYS HB2 . 30465 1 167 . 1 . 1 26 26 CYS HB3 H 1 2.683 0.020 . . . . . . A 26 CYS HB3 . 30465 1 168 . 1 . 1 27 27 LYS H H 1 9.489 0.020 . . . . . . A 27 LYS H . 30465 1 169 . 1 . 1 27 27 LYS HA H 1 4.672 0.020 . . . . . . A 27 LYS HA . 30465 1 170 . 1 . 1 27 27 LYS HB2 H 1 1.739 0.020 . . . . . . A 27 LYS HB2 . 30465 1 171 . 1 . 1 27 27 LYS HB3 H 1 1.628 0.020 . . . . . . A 27 LYS HB3 . 30465 1 172 . 1 . 1 27 27 LYS HG2 H 1 1.339 0.020 . . . . . . A 27 LYS HG2 . 30465 1 173 . 1 . 1 27 27 LYS HG3 H 1 1.339 0.020 . . . . . . A 27 LYS HG3 . 30465 1 174 . 1 . 1 27 27 LYS HD2 H 1 1.411 0.020 . . . . . . A 27 LYS HD2 . 30465 1 175 . 1 . 1 27 27 LYS HD3 H 1 1.411 0.020 . . . . . . A 27 LYS HD3 . 30465 1 176 . 1 . 1 27 27 LYS HE2 H 1 2.929 0.020 . . . . . . A 27 LYS HE2 . 30465 1 177 . 1 . 1 27 27 LYS HE3 H 1 2.929 0.020 . . . . . . A 27 LYS HE3 . 30465 1 178 . 1 . 1 28 28 CYS H H 1 8.575 0.020 . . . . . . A 28 CYS H . 30465 1 179 . 1 . 1 28 28 CYS HA H 1 5.806 0.020 . . . . . . A 28 CYS HA . 30465 1 180 . 1 . 1 28 28 CYS HB2 H 1 2.668 0.020 . . . . . . A 28 CYS HB2 . 30465 1 181 . 1 . 1 28 28 CYS HB3 H 1 2.956 0.020 . . . . . . A 28 CYS HB3 . 30465 1 182 . 1 . 1 29 29 VAL H H 1 9.397 0.020 . . . . . . A 29 VAL H . 30465 1 183 . 1 . 1 29 29 VAL HA H 1 4.928 0.020 . . . . . . A 29 VAL HA . 30465 1 184 . 1 . 1 29 29 VAL HB H 1 2.285 0.020 . . . . . . A 29 VAL HB . 30465 1 185 . 1 . 1 29 29 VAL HG11 H 1 0.878 0.020 . . . . . . A 29 VAL HG11 . 30465 1 186 . 1 . 1 29 29 VAL HG12 H 1 0.878 0.020 . . . . . . A 29 VAL HG12 . 30465 1 187 . 1 . 1 29 29 VAL HG13 H 1 0.878 0.020 . . . . . . A 29 VAL HG13 . 30465 1 188 . 1 . 1 29 29 VAL HG21 H 1 0.761 0.020 . . . . . . A 29 VAL HG21 . 30465 1 189 . 1 . 1 29 29 VAL HG22 H 1 0.761 0.020 . . . . . . A 29 VAL HG22 . 30465 1 190 . 1 . 1 29 29 VAL HG23 H 1 0.761 0.020 . . . . . . A 29 VAL HG23 . 30465 1 191 . 1 . 1 30 30 PRO HA H 1 4.527 0.020 . . . . . . A 30 PRO HA . 30465 1 192 . 1 . 1 30 30 PRO HB2 H 1 2.291 0.020 . . . . . . A 30 PRO HB2 . 30465 1 193 . 1 . 1 30 30 PRO HB3 H 1 2.005 0.020 . . . . . . A 30 PRO HB3 . 30465 1 194 . 1 . 1 30 30 PRO HG2 H 1 1.907 0.020 . . . . . . A 30 PRO HG2 . 30465 1 195 . 1 . 1 30 30 PRO HG3 H 1 1.907 0.020 . . . . . . A 30 PRO HG3 . 30465 1 196 . 1 . 1 30 30 PRO HD2 H 1 3.823 0.020 . . . . . . A 30 PRO HD2 . 30465 1 197 . 1 . 1 30 30 PRO HD3 H 1 3.720 0.020 . . . . . . A 30 PRO HD3 . 30465 1 198 . 1 . 1 31 31 HIS H H 1 8.044 0.020 . . . . . . A 31 HIS H . 30465 1 199 . 1 . 1 31 31 HIS HA H 1 4.326 0.020 . . . . . . A 31 HIS HA . 30465 1 200 . 1 . 1 31 31 HIS HB2 H 1 3.252 0.020 . . . . . . A 31 HIS HB2 . 30465 1 201 . 1 . 1 31 31 HIS HB3 H 1 3.169 0.020 . . . . . . A 31 HIS HB3 . 30465 1 202 . 1 . 1 31 31 HIS HD2 H 1 7.349 0.020 . . . . . . A 31 HIS HD2 . 30465 1 203 . 1 . 1 31 31 HIS HE1 H 1 8.615 0.020 . . . . . . A 31 HIS HE1 . 30465 1 stop_ save_