################################### # 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 25922 _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 '2D DQF-COSY' . . . 25922 1 2 '2D 1H-1H TOCSY' . . . 25922 1 3 '2D 1H-1H NOESY' . . . 25922 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 ASP HA H 1 4.350 0.020 . 1 . . . A 1 ASP HA . 25922 1 2 . 1 1 1 1 ASP HB2 H 1 2.812 0.020 . 2 . . . A 1 ASP HB2 . 25922 1 3 . 1 1 1 1 ASP HB3 H 1 2.812 0.020 . 2 . . . A 1 ASP HB3 . 25922 1 4 . 1 1 2 2 CYS H H 1 8.589 0.020 . 1 . . . A 2 CYS H . 25922 1 5 . 1 1 2 2 CYS HA H 1 5.020 0.020 . 1 . . . A 2 CYS HA . 25922 1 6 . 1 1 2 2 CYS HB2 H 1 3.038 0.020 . 1 . . . A 2 CYS HB2 . 25922 1 7 . 1 1 2 2 CYS HB3 H 1 3.216 0.020 . 1 . . . A 2 CYS HB3 . 25922 1 8 . 1 1 3 3 ALA H H 1 9.173 0.020 . 1 . . . A 3 ALA H . 25922 1 9 . 1 1 3 3 ALA HA H 1 4.503 0.020 . 1 . . . A 3 ALA HA . 25922 1 10 . 1 1 3 3 ALA HB1 H 1 1.184 0.020 . 1 . . . A 3 ALA HB1 . 25922 1 11 . 1 1 3 3 ALA HB2 H 1 1.184 0.020 . 1 . . . A 3 ALA HB2 . 25922 1 12 . 1 1 3 3 ALA HB3 H 1 1.184 0.020 . 1 . . . A 3 ALA HB3 . 25922 1 13 . 1 1 4 4 LYS H H 1 8.698 0.020 . 1 . . . A 4 LYS H . 25922 1 14 . 1 1 4 4 LYS HA H 1 3.898 0.020 . 1 . . . A 4 LYS HA . 25922 1 15 . 1 1 4 4 LYS HB2 H 1 1.400 0.020 . 1 . . . A 4 LYS HB2 . 25922 1 16 . 1 1 4 4 LYS HB3 H 1 1.304 0.020 . 1 . . . A 4 LYS HB3 . 25922 1 17 . 1 1 4 4 LYS HG2 H 1 1.850 0.020 . 2 . . . A 4 LYS HG2 . 25922 1 18 . 1 1 4 4 LYS HG3 H 1 1.850 0.020 . 2 . . . A 4 LYS HG3 . 25922 1 19 . 1 1 4 4 LYS HD2 H 1 1.479 0.020 . 2 . . . A 4 LYS HD2 . 25922 1 20 . 1 1 4 4 LYS HD3 H 1 1.479 0.020 . 2 . . . A 4 LYS HD3 . 25922 1 21 . 1 1 4 4 LYS HE2 H 1 2.987 0.020 . 2 . . . A 4 LYS HE2 . 25922 1 22 . 1 1 4 4 LYS HE3 H 1 2.987 0.020 . 2 . . . A 4 LYS HE3 . 25922 1 23 . 1 1 5 5 GLU H H 1 7.707 0.020 . 1 . . . A 5 GLU H . 25922 1 24 . 1 1 5 5 GLU HA H 1 3.260 0.020 . 1 . . . A 5 GLU HA . 25922 1 25 . 1 1 5 5 GLU HB2 H 1 1.622 0.020 . 1 . . . A 5 GLU HB2 . 25922 1 26 . 1 1 5 5 GLU HB3 H 1 1.760 0.020 . 1 . . . A 5 GLU HB3 . 25922 1 27 . 1 1 5 5 GLU HG2 H 1 2.230 0.020 . 2 . . . A 5 GLU HG2 . 25922 1 28 . 1 1 5 5 GLU HG3 H 1 2.306 0.020 . 2 . . . A 5 GLU HG3 . 25922 1 29 . 1 1 6 6 GLY H H 1 8.831 0.020 . 1 . . . A 6 GLY H . 25922 1 30 . 1 1 6 6 GLY HA2 H 1 3.625 0.020 . 1 . . . A 6 GLY HA2 . 25922 1 31 . 1 1 6 6 GLY HA3 H 1 4.298 0.020 . 1 . . . A 6 GLY HA3 . 25922 1 32 . 1 1 7 7 GLU H H 1 8.207 0.020 . 1 . . . A 7 GLU H . 25922 1 33 . 1 1 7 7 GLU HA H 1 4.570 0.020 . 1 . . . A 7 GLU HA . 25922 1 34 . 1 1 7 7 GLU HB2 H 1 2.027 0.020 . 2 . . . A 7 GLU HB2 . 25922 1 35 . 1 1 7 7 GLU HB3 H 1 2.027 0.020 . 2 . . . A 7 GLU HB3 . 25922 1 36 . 1 1 7 7 GLU HG2 H 1 2.226 0.020 . 2 . . . A 7 GLU HG2 . 25922 1 37 . 1 1 7 7 GLU HG3 H 1 2.226 0.020 . 2 . . . A 7 GLU HG3 . 25922 1 38 . 1 1 8 8 VAL H H 1 8.256 0.020 . 1 . . . A 8 VAL H . 25922 1 39 . 1 1 8 8 VAL HA H 1 4.272 0.020 . 1 . . . A 8 VAL HA . 25922 1 40 . 1 1 8 8 VAL HB H 1 1.781 0.020 . 1 . . . A 8 VAL HB . 25922 1 41 . 1 1 8 8 VAL HG11 H 1 0.812 0.020 . 2 . . . A 8 VAL HG11 . 25922 1 42 . 1 1 8 8 VAL HG12 H 1 0.812 0.020 . 2 . . . A 8 VAL HG12 . 25922 1 43 . 1 1 8 8 VAL HG13 H 1 0.812 0.020 . 2 . . . A 8 VAL HG13 . 25922 1 44 . 1 1 8 8 VAL HG21 H 1 0.743 0.020 . 2 . . . A 8 VAL HG21 . 25922 1 45 . 1 1 8 8 VAL HG22 H 1 0.743 0.020 . 2 . . . A 8 VAL HG22 . 25922 1 46 . 1 1 8 8 VAL HG23 H 1 0.743 0.020 . 2 . . . A 8 VAL HG23 . 25922 1 47 . 1 1 9 9 CYS H H 1 7.738 0.020 . 1 . . . A 9 CYS H . 25922 1 48 . 1 1 9 9 CYS HA H 1 5.133 0.020 . 1 . . . A 9 CYS HA . 25922 1 49 . 1 1 9 9 CYS HB2 H 1 3.198 0.020 . 1 . . . A 9 CYS HB2 . 25922 1 50 . 1 1 9 9 CYS HB3 H 1 3.405 0.020 . 1 . . . A 9 CYS HB3 . 25922 1 51 . 1 1 10 10 SER H H 1 8.384 0.020 . 1 . . . A 10 SER H . 25922 1 52 . 1 1 10 10 SER HA H 1 4.584 0.020 . 1 . . . A 10 SER HA . 25922 1 53 . 1 1 10 10 SER HB2 H 1 3.823 0.020 . 1 . . . A 10 SER HB2 . 25922 1 54 . 1 1 10 10 SER HB3 H 1 3.972 0.020 . 1 . . . A 10 SER HB3 . 25922 1 55 . 1 1 11 11 TRP H H 1 8.700 0.020 . 1 . . . A 11 TRP H . 25922 1 56 . 1 1 11 11 TRP HA H 1 4.369 0.020 . 1 . . . A 11 TRP HA . 25922 1 57 . 1 1 11 11 TRP HB2 H 1 3.286 0.020 . 1 . . . A 11 TRP HB2 . 25922 1 58 . 1 1 11 11 TRP HB3 H 1 3.361 0.020 . 1 . . . A 11 TRP HB3 . 25922 1 59 . 1 1 11 11 TRP HD1 H 1 7.294 0.020 . 1 . . . A 11 TRP HD1 . 25922 1 60 . 1 1 11 11 TRP HE1 H 1 10.146 0.020 . 1 . . . A 11 TRP HE1 . 25922 1 61 . 1 1 11 11 TRP HE3 H 1 7.590 0.020 . 1 . . . A 11 TRP HE3 . 25922 1 62 . 1 1 11 11 TRP HZ2 H 1 7.499 0.020 . 1 . . . A 11 TRP HZ2 . 25922 1 63 . 1 1 11 11 TRP HZ3 H 1 7.182 0.020 . 1 . . . A 11 TRP HZ3 . 25922 1 64 . 1 1 11 11 TRP HH2 H 1 7.266 0.020 . 1 . . . A 11 TRP HH2 . 25922 1 65 . 1 1 12 12 GLY H H 1 8.032 0.020 . 1 . . . A 12 GLY H . 25922 1 66 . 1 1 12 12 GLY HA2 H 1 3.592 0.020 . 1 . . . A 12 GLY HA2 . 25922 1 67 . 1 1 12 12 GLY HA3 H 1 3.887 0.020 . 1 . . . A 12 GLY HA3 . 25922 1 68 . 1 1 13 13 LYS H H 1 7.461 0.020 . 1 . . . A 13 LYS H . 25922 1 69 . 1 1 13 13 LYS HA H 1 4.382 0.020 . 1 . . . A 13 LYS HA . 25922 1 70 . 1 1 13 13 LYS HB2 H 1 1.408 0.020 . 2 . . . A 13 LYS HB2 . 25922 1 71 . 1 1 13 13 LYS HB3 H 1 1.808 0.020 . 2 . . . A 13 LYS HB3 . 25922 1 72 . 1 1 13 13 LYS HG2 H 1 1.200 0.020 . 2 . . . A 13 LYS HG2 . 25922 1 73 . 1 1 13 13 LYS HG3 H 1 1.200 0.020 . 2 . . . A 13 LYS HG3 . 25922 1 74 . 1 1 13 13 LYS HD2 H 1 1.560 0.020 . 2 . . . A 13 LYS HD2 . 25922 1 75 . 1 1 13 13 LYS HD3 H 1 1.560 0.020 . 2 . . . A 13 LYS HD3 . 25922 1 76 . 1 1 14 14 LYS H H 1 8.261 0.020 . 1 . . . A 14 LYS H . 25922 1 77 . 1 1 14 14 LYS HA H 1 4.362 0.020 . 1 . . . A 14 LYS HA . 25922 1 78 . 1 1 14 14 LYS HB2 H 1 1.660 0.020 . 1 . . . A 14 LYS HB2 . 25922 1 79 . 1 1 14 14 LYS HB3 H 1 1.960 0.020 . 1 . . . A 14 LYS HB3 . 25922 1 80 . 1 1 14 14 LYS HG2 H 1 1.490 0.020 . 2 . . . A 14 LYS HG2 . 25922 1 81 . 1 1 14 14 LYS HG3 H 1 1.490 0.020 . 2 . . . A 14 LYS HG3 . 25922 1 82 . 1 1 15 15 CYS H H 1 8.890 0.020 . 1 . . . A 15 CYS H . 25922 1 83 . 1 1 15 15 CYS HA H 1 4.880 0.020 . 1 . . . A 15 CYS HA . 25922 1 84 . 1 1 15 15 CYS HB2 H 1 2.448 0.020 . 1 . . . A 15 CYS HB2 . 25922 1 85 . 1 1 15 15 CYS HB3 H 1 3.134 0.020 . 1 . . . A 15 CYS HB3 . 25922 1 86 . 1 1 16 16 CYS H H 1 9.363 0.020 . 1 . . . A 16 CYS H . 25922 1 87 . 1 1 16 16 CYS HA H 1 4.398 0.020 . 1 . . . A 16 CYS HA . 25922 1 88 . 1 1 16 16 CYS HB2 H 1 2.395 0.020 . 1 . . . A 16 CYS HB2 . 25922 1 89 . 1 1 16 16 CYS HB3 H 1 3.182 0.020 . 1 . . . A 16 CYS HB3 . 25922 1 90 . 1 1 17 17 ASP H H 1 8.622 0.020 . 1 . . . A 17 ASP H . 25922 1 91 . 1 1 17 17 ASP HA H 1 4.564 0.020 . 1 . . . A 17 ASP HA . 25922 1 92 . 1 1 17 17 ASP HB2 H 1 2.688 0.020 . 1 . . . A 17 ASP HB2 . 25922 1 93 . 1 1 17 17 ASP HB3 H 1 3.454 0.020 . 1 . . . A 17 ASP HB3 . 25922 1 94 . 1 1 18 18 LEU H H 1 8.602 0.020 . 1 . . . A 18 LEU H . 25922 1 95 . 1 1 18 18 LEU HA H 1 4.896 0.020 . 1 . . . A 18 LEU HA . 25922 1 96 . 1 1 18 18 LEU HB2 H 1 1.811 0.020 . 2 . . . A 18 LEU HB2 . 25922 1 97 . 1 1 18 18 LEU HB3 H 1 1.811 0.020 . 2 . . . A 18 LEU HB3 . 25922 1 98 . 1 1 18 18 LEU HG H 1 1.934 0.020 . 1 . . . A 18 LEU HG . 25922 1 99 . 1 1 18 18 LEU HD11 H 1 1.035 0.020 . 2 . . . A 18 LEU HD11 . 25922 1 100 . 1 1 18 18 LEU HD12 H 1 1.035 0.020 . 2 . . . A 18 LEU HD12 . 25922 1 101 . 1 1 18 18 LEU HD13 H 1 1.035 0.020 . 2 . . . A 18 LEU HD13 . 25922 1 102 . 1 1 18 18 LEU HD21 H 1 1.035 0.020 . 2 . . . A 18 LEU HD21 . 25922 1 103 . 1 1 18 18 LEU HD22 H 1 1.035 0.020 . 2 . . . A 18 LEU HD22 . 25922 1 104 . 1 1 18 18 LEU HD23 H 1 1.035 0.020 . 2 . . . A 18 LEU HD23 . 25922 1 105 . 1 1 19 19 ASP H H 1 8.392 0.020 . 1 . . . A 19 ASP H . 25922 1 106 . 1 1 19 19 ASP HA H 1 4.621 0.020 . 1 . . . A 19 ASP HA . 25922 1 107 . 1 1 19 19 ASP HB2 H 1 2.834 0.020 . 2 . . . A 19 ASP HB2 . 25922 1 108 . 1 1 19 19 ASP HB3 H 1 2.834 0.020 . 2 . . . A 19 ASP HB3 . 25922 1 109 . 1 1 20 20 ASN H H 1 8.092 0.020 . 1 . . . A 20 ASN H . 25922 1 110 . 1 1 20 20 ASN HA H 1 4.882 0.020 . 1 . . . A 20 ASN HA . 25922 1 111 . 1 1 20 20 ASN HB2 H 1 2.265 0.020 . 1 . . . A 20 ASN HB2 . 25922 1 112 . 1 1 20 20 ASN HB3 H 1 2.502 0.020 . 1 . . . A 20 ASN HB3 . 25922 1 113 . 1 1 20 20 ASN HD21 H 1 6.995 0.020 . 1 . . . A 20 ASN HD21 . 25922 1 114 . 1 1 20 20 ASN HD22 H 1 8.252 0.020 . 1 . . . A 20 ASN HD22 . 25922 1 115 . 1 1 21 21 PHE H H 1 8.408 0.020 . 1 . . . A 21 PHE H . 25922 1 116 . 1 1 21 21 PHE HA H 1 5.431 0.020 . 1 . . . A 21 PHE HA . 25922 1 117 . 1 1 21 21 PHE HB2 H 1 2.711 0.020 . 1 . . . A 21 PHE HB2 . 25922 1 118 . 1 1 21 21 PHE HB3 H 1 3.091 0.020 . 1 . . . A 21 PHE HB3 . 25922 1 119 . 1 1 21 21 PHE HD1 H 1 7.280 0.020 . 3 . . . A 21 PHE HD1 . 25922 1 120 . 1 1 21 21 PHE HD2 H 1 7.280 0.020 . 3 . . . A 21 PHE HD2 . 25922 1 121 . 1 1 21 21 PHE HE1 H 1 7.332 0.020 . 3 . . . A 21 PHE HE1 . 25922 1 122 . 1 1 21 21 PHE HE2 H 1 7.332 0.020 . 3 . . . A 21 PHE HE2 . 25922 1 123 . 1 1 22 22 TYR H H 1 9.268 0.020 . 1 . . . A 22 TYR H . 25922 1 124 . 1 1 22 22 TYR HA H 1 4.843 0.020 . 1 . . . A 22 TYR HA . 25922 1 125 . 1 1 22 22 TYR HB2 H 1 2.706 0.020 . 1 . . . A 22 TYR HB2 . 25922 1 126 . 1 1 22 22 TYR HB3 H 1 2.809 0.020 . 1 . . . A 22 TYR HB3 . 25922 1 127 . 1 1 22 22 TYR HD1 H 1 6.486 0.020 . 3 . . . A 22 TYR HD1 . 25922 1 128 . 1 1 22 22 TYR HD2 H 1 6.486 0.020 . 3 . . . A 22 TYR HD2 . 25922 1 129 . 1 1 22 22 TYR HE1 H 1 6.515 0.020 . 3 . . . A 22 TYR HE1 . 25922 1 130 . 1 1 22 22 TYR HE2 H 1 6.515 0.020 . 3 . . . A 22 TYR HE2 . 25922 1 131 . 1 1 23 23 CYS H H 1 8.790 0.020 . 1 . . . A 23 CYS H . 25922 1 132 . 1 1 23 23 CYS HA H 1 5.071 0.020 . 1 . . . A 23 CYS HA . 25922 1 133 . 1 1 23 23 CYS HB2 H 1 3.095 0.020 . 1 . . . A 23 CYS HB2 . 25922 1 134 . 1 1 23 23 CYS HB3 H 1 3.199 0.020 . 1 . . . A 23 CYS HB3 . 25922 1 135 . 1 1 24 24 PRO HA H 1 4.520 0.020 . 1 . . . A 24 PRO HA . 25922 1 136 . 1 1 24 24 PRO HB2 H 1 2.200 0.020 . 2 . . . A 24 PRO HB2 . 25922 1 137 . 1 1 24 24 PRO HB3 H 1 2.201 0.020 . 2 . . . A 24 PRO HB3 . 25922 1 138 . 1 1 24 24 PRO HG2 H 1 1.790 0.020 . 1 . . . A 24 PRO HG2 . 25922 1 139 . 1 1 24 24 PRO HG3 H 1 1.890 0.020 . 1 . . . A 24 PRO HG3 . 25922 1 140 . 1 1 24 24 PRO HD2 H 1 3.782 0.020 . 1 . . . A 24 PRO HD2 . 25922 1 141 . 1 1 24 24 PRO HD3 H 1 3.403 0.020 . 1 . . . A 24 PRO HD3 . 25922 1 142 . 1 1 25 25 MET H H 1 8.540 0.020 . 1 . . . A 25 MET H . 25922 1 143 . 1 1 25 25 MET HA H 1 4.534 0.020 . 1 . . . A 25 MET HA . 25922 1 144 . 1 1 25 25 MET HB2 H 1 2.015 0.020 . 1 . . . A 25 MET HB2 . 25922 1 145 . 1 1 25 25 MET HB3 H 1 2.129 0.020 . 1 . . . A 25 MET HB3 . 25922 1 146 . 1 1 25 25 MET HG2 H 1 2.564 0.020 . 1 . . . A 25 MET HG2 . 25922 1 147 . 1 1 25 25 MET HG3 H 1 2.688 0.020 . 1 . . . A 25 MET HG3 . 25922 1 148 . 1 1 26 26 GLU H H 1 7.298 0.020 . 1 . . . A 26 GLU H . 25922 1 149 . 1 1 26 26 GLU HA H 1 4.552 0.020 . 1 . . . A 26 GLU HA . 25922 1 150 . 1 1 26 26 GLU HB2 H 1 1.575 0.020 . 2 . . . A 26 GLU HB2 . 25922 1 151 . 1 1 26 26 GLU HB3 H 1 1.575 0.020 . 2 . . . A 26 GLU HB3 . 25922 1 152 . 1 1 26 26 GLU HG2 H 1 2.160 0.020 . 1 . . . A 26 GLU HG2 . 25922 1 153 . 1 1 26 26 GLU HG3 H 1 2.270 0.020 . 1 . . . A 26 GLU HG3 . 25922 1 154 . 1 1 27 27 PHE H H 1 8.495 0.020 . 1 . . . A 27 PHE H . 25922 1 155 . 1 1 27 27 PHE HA H 1 4.385 0.020 . 1 . . . A 27 PHE HA . 25922 1 156 . 1 1 27 27 PHE HB2 H 1 3.071 0.020 . 1 . . . A 27 PHE HB2 . 25922 1 157 . 1 1 27 27 PHE HB3 H 1 3.217 0.020 . 1 . . . A 27 PHE HB3 . 25922 1 158 . 1 1 27 27 PHE HD1 H 1 7.310 0.020 . 3 . . . A 27 PHE HD1 . 25922 1 159 . 1 1 27 27 PHE HD2 H 1 7.310 0.020 . 3 . . . A 27 PHE HD2 . 25922 1 160 . 1 1 27 27 PHE HE1 H 1 7.390 0.020 . 3 . . . A 27 PHE HE1 . 25922 1 161 . 1 1 27 27 PHE HE2 H 1 7.390 0.020 . 3 . . . A 27 PHE HE2 . 25922 1 162 . 1 1 27 27 PHE HZ H 1 6.940 0.020 . 1 . . . A 27 PHE HZ . 25922 1 163 . 1 1 28 28 ILE H H 1 8.183 0.020 . 1 . . . A 28 ILE H . 25922 1 164 . 1 1 28 28 ILE HA H 1 4.192 0.020 . 1 . . . A 28 ILE HA . 25922 1 165 . 1 1 28 28 ILE HB H 1 1.893 0.020 . 1 . . . A 28 ILE HB . 25922 1 166 . 1 1 28 28 ILE HG12 H 1 1.230 0.020 . 2 . . . A 28 ILE HG12 . 25922 1 167 . 1 1 28 28 ILE HG13 H 1 1.230 0.020 . 2 . . . A 28 ILE HG13 . 25922 1 168 . 1 1 28 28 ILE HG21 H 1 0.808 0.020 . 1 . . . A 28 ILE HG21 . 25922 1 169 . 1 1 28 28 ILE HG22 H 1 0.808 0.020 . 1 . . . A 28 ILE HG22 . 25922 1 170 . 1 1 28 28 ILE HG23 H 1 0.808 0.020 . 1 . . . A 28 ILE HG23 . 25922 1 171 . 1 1 28 28 ILE HD11 H 1 0.677 0.020 . 1 . . . A 28 ILE HD11 . 25922 1 172 . 1 1 28 28 ILE HD12 H 1 0.677 0.020 . 1 . . . A 28 ILE HD12 . 25922 1 173 . 1 1 28 28 ILE HD13 H 1 0.677 0.020 . 1 . . . A 28 ILE HD13 . 25922 1 174 . 1 1 29 29 PRO HA H 1 4.455 0.020 . 1 . . . A 29 PRO HA . 25922 1 175 . 1 1 29 29 PRO HB2 H 1 2.200 0.020 . 2 . . . A 29 PRO HB2 . 25922 1 176 . 1 1 29 29 PRO HB3 H 1 2.200 0.020 . 2 . . . A 29 PRO HB3 . 25922 1 177 . 1 1 29 29 PRO HG2 H 1 1.770 0.020 . 1 . . . A 29 PRO HG2 . 25922 1 178 . 1 1 29 29 PRO HG3 H 1 2.300 0.020 . 1 . . . A 29 PRO HG3 . 25922 1 179 . 1 1 29 29 PRO HD2 H 1 3.654 0.020 . 2 . . . A 29 PRO HD2 . 25922 1 180 . 1 1 29 29 PRO HD3 H 1 3.654 0.020 . 2 . . . A 29 PRO HD3 . 25922 1 181 . 1 1 30 30 HIS H H 1 7.246 0.020 . 1 . . . A 30 HIS H . 25922 1 182 . 1 1 30 30 HIS HA H 1 5.146 0.020 . 1 . . . A 30 HIS HA . 25922 1 183 . 1 1 30 30 HIS HB2 H 1 2.500 0.020 . 1 . . . A 30 HIS HB2 . 25922 1 184 . 1 1 30 30 HIS HB3 H 1 2.835 0.020 . 1 . . . A 30 HIS HB3 . 25922 1 185 . 1 1 30 30 HIS HD2 H 1 7.167 0.020 . 1 . . . A 30 HIS HD2 . 25922 1 186 . 1 1 30 30 HIS HE1 H 1 8.509 0.020 . 1 . . . A 30 HIS HE1 . 25922 1 187 . 1 1 31 31 CYS H H 1 8.200 0.020 . 1 . . . A 31 CYS H . 25922 1 188 . 1 1 31 31 CYS HA H 1 4.510 0.020 . 1 . . . A 31 CYS HA . 25922 1 189 . 1 1 31 31 CYS HB2 H 1 2.680 0.020 . 1 . . . A 31 CYS HB2 . 25922 1 190 . 1 1 31 31 CYS HB3 H 1 3.080 0.020 . 1 . . . A 31 CYS HB3 . 25922 1 191 . 1 1 32 32 LYS H H 1 9.034 0.020 . 1 . . . A 32 LYS H . 25922 1 192 . 1 1 32 32 LYS HA H 1 4.869 0.020 . 1 . . . A 32 LYS HA . 25922 1 193 . 1 1 32 32 LYS HB2 H 1 1.380 0.020 . 1 . . . A 32 LYS HB2 . 25922 1 194 . 1 1 32 32 LYS HB3 H 1 1.570 0.020 . 1 . . . A 32 LYS HB3 . 25922 1 195 . 1 1 32 32 LYS HG2 H 1 1.504 0.020 . 1 . . . A 32 LYS HG2 . 25922 1 196 . 1 1 32 32 LYS HG3 H 1 1.674 0.020 . 1 . . . A 32 LYS HG3 . 25922 1 197 . 1 1 33 33 LYS H H 1 8.777 0.020 . 1 . . . A 33 LYS H . 25922 1 198 . 1 1 33 33 LYS HA H 1 4.316 0.020 . 1 . . . A 33 LYS HA . 25922 1 199 . 1 1 33 33 LYS HB2 H 1 1.708 0.020 . 2 . . . A 33 LYS HB2 . 25922 1 200 . 1 1 33 33 LYS HB3 H 1 1.708 0.020 . 2 . . . A 33 LYS HB3 . 25922 1 201 . 1 1 33 33 LYS HG2 H 1 1.083 0.020 . 2 . . . A 33 LYS HG2 . 25922 1 202 . 1 1 33 33 LYS HG3 H 1 1.083 0.020 . 2 . . . A 33 LYS HG3 . 25922 1 203 . 1 1 33 33 LYS HE2 H 1 2.940 0.020 . 2 . . . A 33 LYS HE2 . 25922 1 204 . 1 1 33 33 LYS HE3 H 1 2.940 0.020 . 2 . . . A 33 LYS HE3 . 25922 1 205 . 1 1 34 34 TYR H H 1 8.077 0.020 . 1 . . . A 34 TYR H . 25922 1 206 . 1 1 34 34 TYR HA H 1 4.529 0.020 . 1 . . . A 34 TYR HA . 25922 1 207 . 1 1 34 34 TYR HB2 H 1 2.733 0.020 . 1 . . . A 34 TYR HB2 . 25922 1 208 . 1 1 34 34 TYR HB3 H 1 2.896 0.020 . 1 . . . A 34 TYR HB3 . 25922 1 209 . 1 1 34 34 TYR HD1 H 1 6.785 0.020 . 3 . . . A 34 TYR HD1 . 25922 1 210 . 1 1 34 34 TYR HD2 H 1 6.785 0.020 . 3 . . . A 34 TYR HD2 . 25922 1 211 . 1 1 34 34 TYR HE1 H 1 6.550 0.020 . 3 . . . A 34 TYR HE1 . 25922 1 212 . 1 1 34 34 TYR HE2 H 1 6.550 0.020 . 3 . . . A 34 TYR HE2 . 25922 1 213 . 1 1 35 35 LYS H H 1 8.156 0.020 . 1 . . . A 35 LYS H . 25922 1 214 . 1 1 35 35 LYS HA H 1 4.603 0.020 . 1 . . . A 35 LYS HA . 25922 1 215 . 1 1 35 35 LYS HB2 H 1 1.620 0.020 . 1 . . . A 35 LYS HB2 . 25922 1 216 . 1 1 35 35 LYS HB3 H 1 1.730 0.020 . 1 . . . A 35 LYS HB3 . 25922 1 217 . 1 1 35 35 LYS HG2 H 1 1.340 0.020 . 2 . . . A 35 LYS HG2 . 25922 1 218 . 1 1 35 35 LYS HG3 H 1 1.380 0.020 . 2 . . . A 35 LYS HG3 . 25922 1 219 . 1 1 35 35 LYS HE2 H 1 2.989 0.020 . 2 . . . A 35 LYS HE2 . 25922 1 220 . 1 1 35 35 LYS HE3 H 1 2.989 0.020 . 2 . . . A 35 LYS HE3 . 25922 1 221 . 1 1 36 36 PRO HA H 1 4.314 0.020 . 1 . . . A 36 PRO HA . 25922 1 222 . 1 1 36 36 PRO HB2 H 1 2.220 0.020 . 2 . . . A 36 PRO HB2 . 25922 1 223 . 1 1 36 36 PRO HB3 H 1 2.220 0.020 . 2 . . . A 36 PRO HB3 . 25922 1 224 . 1 1 36 36 PRO HG2 H 1 1.930 0.020 . 2 . . . A 36 PRO HG2 . 25922 1 225 . 1 1 36 36 PRO HG3 H 1 1.930 0.020 . 2 . . . A 36 PRO HG3 . 25922 1 226 . 1 1 36 36 PRO HD2 H 1 3.589 0.020 . 2 . . . A 36 PRO HD2 . 25922 1 227 . 1 1 36 36 PRO HD3 H 1 3.589 0.020 . 2 . . . A 36 PRO HD3 . 25922 1 228 . 1 1 37 37 TYR H H 1 8.287 0.020 . 1 . . . A 37 TYR H . 25922 1 229 . 1 1 37 37 TYR HA H 1 4.501 0.020 . 1 . . . A 37 TYR HA . 25922 1 230 . 1 1 37 37 TYR HB2 H 1 2.886 0.020 . 1 . . . A 37 TYR HB2 . 25922 1 231 . 1 1 37 37 TYR HB3 H 1 3.050 0.020 . 1 . . . A 37 TYR HB3 . 25922 1 232 . 1 1 37 37 TYR HD1 H 1 7.081 0.020 . 3 . . . A 37 TYR HD1 . 25922 1 233 . 1 1 37 37 TYR HD2 H 1 7.081 0.020 . 3 . . . A 37 TYR HD2 . 25922 1 234 . 1 1 37 37 TYR HE1 H 1 6.800 0.020 . 3 . . . A 37 TYR HE1 . 25922 1 235 . 1 1 37 37 TYR HE2 H 1 6.800 0.020 . 3 . . . A 37 TYR HE2 . 25922 1 236 . 1 1 38 38 VAL H H 1 7.789 0.020 . 1 . . . A 38 VAL H . 25922 1 237 . 1 1 38 38 VAL HA H 1 4.298 0.020 . 1 . . . A 38 VAL HA . 25922 1 238 . 1 1 38 38 VAL HB H 1 1.915 0.020 . 1 . . . A 38 VAL HB . 25922 1 239 . 1 1 38 38 VAL HG11 H 1 0.839 0.020 . 2 . . . A 38 VAL HG11 . 25922 1 240 . 1 1 38 38 VAL HG12 H 1 0.839 0.020 . 2 . . . A 38 VAL HG12 . 25922 1 241 . 1 1 38 38 VAL HG13 H 1 0.839 0.020 . 2 . . . A 38 VAL HG13 . 25922 1 242 . 1 1 38 38 VAL HG21 H 1 0.839 0.020 . 2 . . . A 38 VAL HG21 . 25922 1 243 . 1 1 38 38 VAL HG22 H 1 0.839 0.020 . 2 . . . A 38 VAL HG22 . 25922 1 244 . 1 1 38 38 VAL HG23 H 1 0.839 0.020 . 2 . . . A 38 VAL HG23 . 25922 1 245 . 1 1 39 39 PRO HA H 1 4.310 0.020 . 1 . . . A 39 PRO HA . 25922 1 246 . 1 1 40 40 VAL H H 1 8.174 0.020 . 1 . . . A 40 VAL H . 25922 1 247 . 1 1 40 40 VAL HA H 1 4.151 0.020 . 1 . . . A 40 VAL HA . 25922 1 248 . 1 1 40 40 VAL HB H 1 2.085 0.020 . 1 . . . A 40 VAL HB . 25922 1 249 . 1 1 40 40 VAL HG11 H 1 0.970 0.020 . 2 . . . A 40 VAL HG11 . 25922 1 250 . 1 1 40 40 VAL HG12 H 1 0.970 0.020 . 2 . . . A 40 VAL HG12 . 25922 1 251 . 1 1 40 40 VAL HG13 H 1 0.970 0.020 . 2 . . . A 40 VAL HG13 . 25922 1 252 . 1 1 40 40 VAL HG21 H 1 0.970 0.020 . 2 . . . A 40 VAL HG21 . 25922 1 253 . 1 1 40 40 VAL HG22 H 1 0.970 0.020 . 2 . . . A 40 VAL HG22 . 25922 1 254 . 1 1 40 40 VAL HG23 H 1 0.970 0.020 . 2 . . . A 40 VAL HG23 . 25922 1 255 . 1 1 41 41 THR H H 1 8.286 0.020 . 1 . . . A 41 THR H . 25922 1 256 . 1 1 41 41 THR HA H 1 4.469 0.020 . 1 . . . A 41 THR HA . 25922 1 257 . 1 1 41 41 THR HB H 1 4.250 0.020 . 1 . . . A 41 THR HB . 25922 1 258 . 1 1 41 41 THR HG21 H 1 1.201 0.020 . 1 . . . A 41 THR HG21 . 25922 1 259 . 1 1 41 41 THR HG22 H 1 1.201 0.020 . 1 . . . A 41 THR HG22 . 25922 1 260 . 1 1 41 41 THR HG23 H 1 1.201 0.020 . 1 . . . A 41 THR HG23 . 25922 1 261 . 1 1 42 42 THR H H 1 8.026 0.020 . 1 . . . A 42 THR H . 25922 1 262 . 1 1 42 42 THR HA H 1 4.312 0.020 . 1 . . . A 42 THR HA . 25922 1 stop_ save_