################################### # 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 34649 _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' . . . 34649 1 2 '2D 1H-1H NOESY' . . . 34649 1 3 '2D 1H-13C HSQC' . . . 34649 1 4 '2D 1H-15N HSQC' . . . 34649 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 GLY HA2 H 1 4.101 0.011 . . . . . . A 1 GLY HA2 . 34649 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.926 0.012 . . . . . . A 1 GLY HA3 . 34649 1 3 . 1 . 1 2 2 PHE H H 1 8.711 0.002 . 1 . . . . A 2 PHE H . 34649 1 4 . 1 . 1 2 2 PHE HA H 1 4.421 0.002 . 1 . . . . A 2 PHE HA . 34649 1 5 . 1 . 1 2 2 PHE HB2 H 1 3.240 0.002 . . . . . . A 2 PHE HB2 . 34649 1 6 . 1 . 1 2 2 PHE HB3 H 1 3.075 0.001 . . . . . . A 2 PHE HB3 . 34649 1 7 . 1 . 1 2 2 PHE HD1 H 1 7.235 0.002 . . . . . . A 2 PHE HD1 . 34649 1 8 . 1 . 1 2 2 PHE HD2 H 1 7.235 0.002 . . . . . . A 2 PHE HD2 . 34649 1 9 . 1 . 1 2 2 PHE HE1 H 1 7.321 0.000 . . . . . . A 2 PHE HE1 . 34649 1 10 . 1 . 1 2 2 PHE HE2 H 1 7.321 0.000 . . . . . . A 2 PHE HE2 . 34649 1 11 . 1 . 1 3 3 LEU H H 1 8.185 0.002 . 1 . . . . A 3 LEU H . 34649 1 12 . 1 . 1 3 3 LEU HA H 1 4.059 0.002 . 1 . . . . A 3 LEU HA . 34649 1 13 . 1 . 1 3 3 LEU HB2 H 1 1.683 0.005 . . . . . . A 3 LEU HB2 . 34649 1 14 . 1 . 1 3 3 LEU HB3 H 1 1.569 0.000 . . . . . . A 3 LEU HB3 . 34649 1 15 . 1 . 1 3 3 LEU HG H 1 1.634 0.001 . 1 . . . . A 3 LEU HG . 34649 1 16 . 1 . 1 3 3 LEU HD11 H 1 0.972 0.001 . . . . . . A 3 LEU HD11 . 34649 1 17 . 1 . 1 3 3 LEU HD12 H 1 0.972 0.001 . . . . . . A 3 LEU HD12 . 34649 1 18 . 1 . 1 3 3 LEU HD13 H 1 0.972 0.001 . . . . . . A 3 LEU HD13 . 34649 1 19 . 1 . 1 3 3 LEU HD21 H 1 0.920 0.000 . . . . . . A 3 LEU HD21 . 34649 1 20 . 1 . 1 3 3 LEU HD22 H 1 0.920 0.000 . . . . . . A 3 LEU HD22 . 34649 1 21 . 1 . 1 3 3 LEU HD23 H 1 0.920 0.000 . . . . . . A 3 LEU HD23 . 34649 1 22 . 1 . 1 4 4 ASP H H 1 7.573 0.004 . 1 . . . . A 4 ASP H . 34649 1 23 . 1 . 1 4 4 ASP HA H 1 4.356 0.002 . 1 . . . . A 4 ASP HA . 34649 1 24 . 1 . 1 4 4 ASP HB2 H 1 2.880 0.001 . . . . . . A 4 ASP HB2 . 34649 1 25 . 1 . 1 4 4 ASP HB3 H 1 2.777 0.002 . . . . . . A 4 ASP HB3 . 34649 1 26 . 1 . 1 5 5 ILE H H 1 7.482 0.001 . 1 . . . . A 5 ILE H . 34649 1 27 . 1 . 1 5 5 ILE HA H 1 3.836 0.002 . 1 . . . . A 5 ILE HA . 34649 1 28 . 1 . 1 5 5 ILE HB H 1 2.064 0.004 . 1 . . . . A 5 ILE HB . 34649 1 29 . 1 . 1 5 5 ILE HG12 H 1 1.251 0.006 . . . . . . A 5 ILE HG12 . 34649 1 30 . 1 . 1 5 5 ILE HG13 H 1 1.251 0.006 . . . . . . A 5 ILE HG13 . 34649 1 31 . 1 . 1 5 5 ILE HG21 H 1 0.917 0.001 . 1 . . . . A 5 ILE HG21 . 34649 1 32 . 1 . 1 5 5 ILE HG22 H 1 0.917 0.001 . 1 . . . . A 5 ILE HG22 . 34649 1 33 . 1 . 1 5 5 ILE HG23 H 1 0.917 0.001 . 1 . . . . A 5 ILE HG23 . 34649 1 34 . 1 . 1 5 5 ILE HD11 H 1 0.922 0.000 . 1 . . . . A 5 ILE HD11 . 34649 1 35 . 1 . 1 5 5 ILE HD12 H 1 0.922 0.000 . 1 . . . . A 5 ILE HD12 . 34649 1 36 . 1 . 1 5 5 ILE HD13 H 1 0.922 0.000 . 1 . . . . A 5 ILE HD13 . 34649 1 37 . 1 . 1 6 6 ILE H H 1 7.761 0.002 . 1 . . . . A 6 ILE H . 34649 1 38 . 1 . 1 6 6 ILE HA H 1 3.731 0.001 . 1 . . . . A 6 ILE HA . 34649 1 39 . 1 . 1 6 6 ILE HB H 1 1.970 0.002 . 1 . . . . A 6 ILE HB . 34649 1 40 . 1 . 1 6 6 ILE HG12 H 1 1.482 0.007 . . . . . . A 6 ILE HG12 . 34649 1 41 . 1 . 1 6 6 ILE HG13 H 1 1.106 0.011 . . . . . . A 6 ILE HG13 . 34649 1 42 . 1 . 1 6 6 ILE HG21 H 1 0.893 0.006 . 1 . . . . A 6 ILE HG21 . 34649 1 43 . 1 . 1 6 6 ILE HG22 H 1 0.893 0.006 . 1 . . . . A 6 ILE HG22 . 34649 1 44 . 1 . 1 6 6 ILE HG23 H 1 0.893 0.006 . 1 . . . . A 6 ILE HG23 . 34649 1 45 . 1 . 1 6 6 ILE HD11 H 1 0.808 0.001 . 1 . . . . A 6 ILE HD11 . 34649 1 46 . 1 . 1 6 6 ILE HD12 H 1 0.808 0.001 . 1 . . . . A 6 ILE HD12 . 34649 1 47 . 1 . 1 6 6 ILE HD13 H 1 0.808 0.001 . 1 . . . . A 6 ILE HD13 . 34649 1 48 . 1 . 1 7 7 LYS H H 1 8.246 0.002 . 1 . . . . A 7 LYS H . 34649 1 49 . 1 . 1 7 7 LYS HA H 1 4.085 0.001 . 1 . . . . A 7 LYS HA . 34649 1 50 . 1 . 1 7 7 LYS HB2 H 1 1.939 0.003 . . . . . . A 7 LYS HB2 . 34649 1 51 . 1 . 1 7 7 LYS HB3 H 1 1.939 0.003 . . . . . . A 7 LYS HB3 . 34649 1 52 . 1 . 1 7 7 LYS HG2 H 1 1.666 0.001 . . . . . . A 7 LYS HG2 . 34649 1 53 . 1 . 1 7 7 LYS HG3 H 1 1.486 0.000 . . . . . . A 7 LYS HG3 . 34649 1 54 . 1 . 1 7 7 LYS HD2 H 1 1.733 0.001 . . . . . . A 7 LYS HD2 . 34649 1 55 . 1 . 1 7 7 LYS HD3 H 1 1.733 0.001 . . . . . . A 7 LYS HD3 . 34649 1 56 . 1 . 1 7 7 LYS HE2 H 1 2.980 0.002 . . . . . . A 7 LYS HE2 . 34649 1 57 . 1 . 1 7 7 LYS HE3 H 1 2.980 0.002 . . . . . . A 7 LYS HE3 . 34649 1 58 . 1 . 1 8 8 ASP H H 1 8.452 0.001 . 1 . . . . A 8 ASP H . 34649 1 59 . 1 . 1 8 8 ASP HA H 1 4.603 0.002 . 1 . . . . A 8 ASP HA . 34649 1 60 . 1 . 1 8 8 ASP HB2 H 1 3.075 0.007 . . . . . . A 8 ASP HB2 . 34649 1 61 . 1 . 1 8 8 ASP HB3 H 1 2.941 0.010 . . . . . . A 8 ASP HB3 . 34649 1 62 . 1 . 1 9 9 THR H H 1 8.219 0.003 . 1 . . . . A 9 THR H . 34649 1 63 . 1 . 1 9 9 THR HA H 1 4.351 0.002 . 1 . . . . A 9 THR HA . 34649 1 64 . 1 . 1 9 9 THR HB H 1 4.136 0.002 . 1 . . . . A 9 THR HB . 34649 1 65 . 1 . 1 9 9 THR HG21 H 1 1.293 0.001 . 1 . . . . A 9 THR HG21 . 34649 1 66 . 1 . 1 9 9 THR HG22 H 1 1.293 0.001 . 1 . . . . A 9 THR HG22 . 34649 1 67 . 1 . 1 9 9 THR HG23 H 1 1.293 0.001 . 1 . . . . A 9 THR HG23 . 34649 1 68 . 1 . 1 10 10 GLY H H 1 8.254 0.002 . 1 . . . . A 10 GLY H . 34649 1 69 . 1 . 1 10 10 GLY HA2 H 1 3.998 0.001 . . . . . . A 10 GLY HA2 . 34649 1 70 . 1 . 1 10 10 GLY HA3 H 1 3.998 0.001 . . . . . . A 10 GLY HA3 . 34649 1 71 . 1 . 1 11 11 LYS H H 1 7.971 0.002 . 1 . . . . A 11 LYS H . 34649 1 72 . 1 . 1 11 11 LYS HA H 1 4.198 0.003 . 1 . . . . A 11 LYS HA . 34649 1 73 . 1 . 1 11 11 LYS HB2 H 1 2.005 0.002 . . . . . . A 11 LYS HB2 . 34649 1 74 . 1 . 1 11 11 LYS HB3 H 1 2.005 0.002 . . . . . . A 11 LYS HB3 . 34649 1 75 . 1 . 1 11 11 LYS HG2 H 1 1.655 0.005 . . . . . . A 11 LYS HG2 . 34649 1 76 . 1 . 1 11 11 LYS HG3 H 1 1.525 0.009 . . . . . . A 11 LYS HG3 . 34649 1 77 . 1 . 1 11 11 LYS HD2 H 1 1.764 0.002 . . . . . . A 11 LYS HD2 . 34649 1 78 . 1 . 1 11 11 LYS HD3 H 1 1.764 0.002 . . . . . . A 11 LYS HD3 . 34649 1 79 . 1 . 1 11 11 LYS HE2 H 1 3.021 0.001 . . . . . . A 11 LYS HE2 . 34649 1 80 . 1 . 1 11 11 LYS HE3 H 1 3.005 0.000 . . . . . . A 11 LYS HE3 . 34649 1 81 . 1 . 1 12 12 GLU H H 1 8.070 0.002 . 1 . . . . A 12 GLU H . 34649 1 82 . 1 . 1 12 12 GLU HA H 1 4.056 0.003 . 1 . . . . A 12 GLU HA . 34649 1 83 . 1 . 1 12 12 GLU HB2 H 1 2.288 0.001 . . . . . . A 12 GLU HB2 . 34649 1 84 . 1 . 1 12 12 GLU HB3 H 1 2.172 0.001 . . . . . . A 12 GLU HB3 . 34649 1 85 . 1 . 1 12 12 GLU HG2 H 1 2.606 0.000 . . . . . . A 12 GLU HG2 . 34649 1 86 . 1 . 1 12 12 GLU HG3 H 1 2.457 0.003 . . . . . . A 12 GLU HG3 . 34649 1 87 . 1 . 1 13 13 PHE H H 1 8.226 0.002 . 1 . . . . A 13 PHE H . 34649 1 88 . 1 . 1 13 13 PHE HA H 1 4.348 0.003 . 1 . . . . A 13 PHE HA . 34649 1 89 . 1 . 1 13 13 PHE HB2 H 1 3.272 0.002 . . . . . . A 13 PHE HB2 . 34649 1 90 . 1 . 1 13 13 PHE HB3 H 1 3.272 0.002 . . . . . . A 13 PHE HB3 . 34649 1 91 . 1 . 1 13 13 PHE HD1 H 1 7.277 0.000 . . . . . . A 13 PHE HD1 . 34649 1 92 . 1 . 1 13 13 PHE HD2 H 1 7.277 0.000 . . . . . . A 13 PHE HD2 . 34649 1 93 . 1 . 1 13 13 PHE HE1 H 1 7.291 0.000 . . . . . . A 13 PHE HE1 . 34649 1 94 . 1 . 1 13 13 PHE HE2 H 1 7.291 0.000 . . . . . . A 13 PHE HE2 . 34649 1 95 . 1 . 1 14 14 ALA H H 1 8.014 0.002 . 1 . . . . A 14 ALA H . 34649 1 96 . 1 . 1 14 14 ALA HA H 1 4.035 0.003 . 1 . . . . A 14 ALA HA . 34649 1 97 . 1 . 1 14 14 ALA HB1 H 1 1.587 0.002 . 1 . . . . A 14 ALA HB1 . 34649 1 98 . 1 . 1 14 14 ALA HB2 H 1 1.587 0.002 . 1 . . . . A 14 ALA HB2 . 34649 1 99 . 1 . 1 14 14 ALA HB3 H 1 1.587 0.002 . 1 . . . . A 14 ALA HB3 . 34649 1 100 . 1 . 1 15 15 VAL H H 1 8.039 0.002 . 1 . . . . A 15 VAL H . 34649 1 101 . 1 . 1 15 15 VAL HA H 1 3.656 0.002 . 1 . . . . A 15 VAL HA . 34649 1 102 . 1 . 1 15 15 VAL HB H 1 2.222 0.001 . 1 . . . . A 15 VAL HB . 34649 1 103 . 1 . 1 15 15 VAL HG11 H 1 1.125 0.001 . . . . . . A 15 VAL HG11 . 34649 1 104 . 1 . 1 15 15 VAL HG12 H 1 1.125 0.001 . . . . . . A 15 VAL HG12 . 34649 1 105 . 1 . 1 15 15 VAL HG13 H 1 1.125 0.001 . . . . . . A 15 VAL HG13 . 34649 1 106 . 1 . 1 15 15 VAL HG21 H 1 0.989 0.001 . . . . . . A 15 VAL HG21 . 34649 1 107 . 1 . 1 15 15 VAL HG22 H 1 0.989 0.001 . . . . . . A 15 VAL HG22 . 34649 1 108 . 1 . 1 15 15 VAL HG23 H 1 0.989 0.001 . . . . . . A 15 VAL HG23 . 34649 1 109 . 1 . 1 16 16 LYS H H 1 7.841 0.001 . 1 . . . . A 16 LYS H . 34649 1 110 . 1 . 1 16 16 LYS HA H 1 4.059 0.002 . 1 . . . . A 16 LYS HA . 34649 1 111 . 1 . 1 16 16 LYS HB2 H 1 2.058 0.004 . . . . . . A 16 LYS HB2 . 34649 1 112 . 1 . 1 16 16 LYS HB3 H 1 1.964 0.003 . . . . . . A 16 LYS HB3 . 34649 1 113 . 1 . 1 16 16 LYS HG2 H 1 1.462 0.003 . . . . . . A 16 LYS HG2 . 34649 1 114 . 1 . 1 16 16 LYS HG3 H 1 1.462 0.003 . . . . . . A 16 LYS HG3 . 34649 1 115 . 1 . 1 16 16 LYS HD2 H 1 1.716 0.002 . . . . . . A 16 LYS HD2 . 34649 1 116 . 1 . 1 16 16 LYS HD3 H 1 1.676 0.000 . . . . . . A 16 LYS HD3 . 34649 1 117 . 1 . 1 16 16 LYS HE2 H 1 3.007 0.000 . . . . . . A 16 LYS HE2 . 34649 1 118 . 1 . 1 16 16 LYS HE3 H 1 2.994 0.001 . . . . . . A 16 LYS HE3 . 34649 1 119 . 1 . 1 17 17 ILE H H 1 8.217 0.003 . 1 . . . . A 17 ILE H . 34649 1 120 . 1 . 1 17 17 ILE HA H 1 3.732 0.002 . 1 . . . . A 17 ILE HA . 34649 1 121 . 1 . 1 17 17 ILE HB H 1 1.979 0.002 . 1 . . . . A 17 ILE HB . 34649 1 122 . 1 . 1 17 17 ILE HG12 H 1 1.499 0.007 . . . . . . A 17 ILE HG12 . 34649 1 123 . 1 . 1 17 17 ILE HG13 H 1 1.071 0.006 . . . . . . A 17 ILE HG13 . 34649 1 124 . 1 . 1 17 17 ILE HG21 H 1 0.888 0.001 . 1 . . . . A 17 ILE HG21 . 34649 1 125 . 1 . 1 17 17 ILE HG22 H 1 0.888 0.001 . 1 . . . . A 17 ILE HG22 . 34649 1 126 . 1 . 1 17 17 ILE HG23 H 1 0.888 0.001 . 1 . . . . A 17 ILE HG23 . 34649 1 127 . 1 . 1 17 17 ILE HD11 H 1 0.725 0.000 . 1 . . . . A 17 ILE HD11 . 34649 1 128 . 1 . 1 17 17 ILE HD12 H 1 0.725 0.000 . 1 . . . . A 17 ILE HD12 . 34649 1 129 . 1 . 1 17 17 ILE HD13 H 1 0.725 0.000 . 1 . . . . A 17 ILE HD13 . 34649 1 130 . 1 . 1 18 18 LEU H H 1 8.561 0.002 . 1 . . . . A 18 LEU H . 34649 1 131 . 1 . 1 18 18 LEU HA H 1 4.132 0.002 . 1 . . . . A 18 LEU HA . 34649 1 132 . 1 . 1 18 18 LEU HB2 H 1 1.925 0.002 . . . . . . A 18 LEU HB2 . 34649 1 133 . 1 . 1 18 18 LEU HB3 H 1 1.925 0.002 . . . . . . A 18 LEU HB3 . 34649 1 134 . 1 . 1 18 18 LEU HG H 1 1.583 0.003 . 1 . . . . A 18 LEU HG . 34649 1 135 . 1 . 1 18 18 LEU HD11 H 1 0.922 0.004 . . . . . . A 18 LEU HD11 . 34649 1 136 . 1 . 1 18 18 LEU HD12 H 1 0.922 0.004 . . . . . . A 18 LEU HD12 . 34649 1 137 . 1 . 1 18 18 LEU HD13 H 1 0.922 0.004 . . . . . . A 18 LEU HD13 . 34649 1 138 . 1 . 1 18 18 LEU HD21 H 1 0.922 0.004 . . . . . . A 18 LEU HD21 . 34649 1 139 . 1 . 1 18 18 LEU HD22 H 1 0.922 0.004 . . . . . . A 18 LEU HD22 . 34649 1 140 . 1 . 1 18 18 LEU HD23 H 1 0.922 0.004 . . . . . . A 18 LEU HD23 . 34649 1 141 . 1 . 1 19 19 ASN H H 1 8.453 0.001 . 1 . . . . A 19 ASN H . 34649 1 142 . 1 . 1 19 19 ASN HA H 1 4.477 0.003 . 1 . . . . A 19 ASN HA . 34649 1 143 . 1 . 1 19 19 ASN HB2 H 1 2.972 0.004 . . . . . . A 19 ASN HB2 . 34649 1 144 . 1 . 1 19 19 ASN HB3 H 1 2.771 0.005 . . . . . . A 19 ASN HB3 . 34649 1 145 . 1 . 1 19 19 ASN HD21 H 1 6.588 0.001 . . . . . . A 19 ASN HD21 . 34649 1 146 . 1 . 1 19 19 ASN HD22 H 1 6.588 0.001 . . . . . . A 19 ASN HD22 . 34649 1 147 . 1 . 1 20 20 ASN H H 1 8.063 0.003 . 1 . . . . A 20 ASN H . 34649 1 148 . 1 . 1 20 20 ASN HA H 1 4.521 0.002 . 1 . . . . A 20 ASN HA . 34649 1 149 . 1 . 1 20 20 ASN HB2 H 1 3.051 0.003 . . . . . . A 20 ASN HB2 . 34649 1 150 . 1 . 1 20 20 ASN HB3 H 1 2.831 0.003 . . . . . . A 20 ASN HB3 . 34649 1 151 . 1 . 1 20 20 ASN HD21 H 1 6.789 0.001 . . . . . . A 20 ASN HD21 . 34649 1 152 . 1 . 1 20 20 ASN HD22 H 1 6.789 0.001 . . . . . . A 20 ASN HD22 . 34649 1 153 . 1 . 1 21 21 LEU H H 1 8.477 0.001 . 1 . . . . A 21 LEU H . 34649 1 154 . 1 . 1 21 21 LEU HA H 1 4.134 0.002 . 1 . . . . A 21 LEU HA . 34649 1 155 . 1 . 1 21 21 LEU HB2 H 1 1.919 0.001 . . . . . . A 21 LEU HB2 . 34649 1 156 . 1 . 1 21 21 LEU HB3 H 1 1.844 0.002 . . . . . . A 21 LEU HB3 . 34649 1 157 . 1 . 1 21 21 LEU HG H 1 1.781 0.002 . 1 . . . . A 21 LEU HG . 34649 1 158 . 1 . 1 21 21 LEU HD11 H 1 0.948 0.001 . . . . . . A 21 LEU HD11 . 34649 1 159 . 1 . 1 21 21 LEU HD12 H 1 0.948 0.001 . . . . . . A 21 LEU HD12 . 34649 1 160 . 1 . 1 21 21 LEU HD13 H 1 0.948 0.001 . . . . . . A 21 LEU HD13 . 34649 1 161 . 1 . 1 21 21 LEU HD21 H 1 0.914 0.002 . . . . . . A 21 LEU HD21 . 34649 1 162 . 1 . 1 21 21 LEU HD22 H 1 0.914 0.002 . . . . . . A 21 LEU HD22 . 34649 1 163 . 1 . 1 21 21 LEU HD23 H 1 0.914 0.002 . . . . . . A 21 LEU HD23 . 34649 1 164 . 1 . 1 22 22 LYS H H 1 8.395 0.002 . 1 . . . . A 22 LYS H . 34649 1 165 . 1 . 1 22 22 LYS HA H 1 3.944 0.002 . 1 . . . . A 22 LYS HA . 34649 1 166 . 1 . 1 22 22 LYS HB2 H 1 2.003 0.005 . . . . . . A 22 LYS HB2 . 34649 1 167 . 1 . 1 22 22 LYS HB3 H 1 2.003 0.005 . . . . . . A 22 LYS HB3 . 34649 1 168 . 1 . 1 22 22 LYS HG2 H 1 1.455 0.003 . . . . . . A 22 LYS HG2 . 34649 1 169 . 1 . 1 22 22 LYS HG3 H 1 1.455 0.003 . . . . . . A 22 LYS HG3 . 34649 1 170 . 1 . 1 22 22 LYS HD2 H 1 1.720 0.003 . . . . . . A 22 LYS HD2 . 34649 1 171 . 1 . 1 22 22 LYS HD3 H 1 1.673 0.000 . . . . . . A 22 LYS HD3 . 34649 1 172 . 1 . 1 22 22 LYS HE2 H 1 2.978 0.000 . . . . . . A 22 LYS HE2 . 34649 1 173 . 1 . 1 22 22 LYS HE3 H 1 2.978 0.000 . . . . . . A 22 LYS HE3 . 34649 1 174 . 1 . 1 23 23 CYS H H 1 7.987 0.001 . 1 . . . . A 23 CYS H . 34649 1 175 . 1 . 1 23 23 CYS HA H 1 4.328 0.002 . 1 . . . . A 23 CYS HA . 34649 1 176 . 1 . 1 23 23 CYS HB2 H 1 3.472 0.006 . . . . . . A 23 CYS HB2 . 34649 1 177 . 1 . 1 23 23 CYS HB3 H 1 3.186 0.002 . . . . . . A 23 CYS HB3 . 34649 1 178 . 1 . 1 24 24 LYS H H 1 8.200 0.002 . 1 . . . . A 24 LYS H . 34649 1 179 . 1 . 1 24 24 LYS HA H 1 4.185 0.002 . 1 . . . . A 24 LYS HA . 34649 1 180 . 1 . 1 24 24 LYS HB2 H 1 2.091 0.003 . . . . . . A 24 LYS HB2 . 34649 1 181 . 1 . 1 24 24 LYS HB3 H 1 1.988 0.002 . . . . . . A 24 LYS HB3 . 34649 1 182 . 1 . 1 24 24 LYS HG2 H 1 1.645 0.002 . . . . . . A 24 LYS HG2 . 34649 1 183 . 1 . 1 24 24 LYS HG3 H 1 1.517 0.001 . . . . . . A 24 LYS HG3 . 34649 1 184 . 1 . 1 24 24 LYS HD2 H 1 1.714 0.001 . . . . . . A 24 LYS HD2 . 34649 1 185 . 1 . 1 24 24 LYS HD3 H 1 1.714 0.001 . . . . . . A 24 LYS HD3 . 34649 1 186 . 1 . 1 25 25 LEU H H 1 8.476 0.003 . 1 . . . . A 25 LEU H . 34649 1 187 . 1 . 1 25 25 LEU HA H 1 4.222 0.004 . 1 . . . . A 25 LEU HA . 34649 1 188 . 1 . 1 25 25 LEU HB2 H 1 1.892 0.004 . . . . . . A 25 LEU HB2 . 34649 1 189 . 1 . 1 25 25 LEU HB3 H 1 1.892 0.004 . . . . . . A 25 LEU HB3 . 34649 1 190 . 1 . 1 25 25 LEU HG H 1 1.544 0.003 . 1 . . . . A 25 LEU HG . 34649 1 191 . 1 . 1 25 25 LEU HD11 H 1 0.906 0.003 . . . . . . A 25 LEU HD11 . 34649 1 192 . 1 . 1 25 25 LEU HD12 H 1 0.906 0.003 . . . . . . A 25 LEU HD12 . 34649 1 193 . 1 . 1 25 25 LEU HD13 H 1 0.906 0.003 . . . . . . A 25 LEU HD13 . 34649 1 194 . 1 . 1 25 25 LEU HD21 H 1 0.906 0.003 . . . . . . A 25 LEU HD21 . 34649 1 195 . 1 . 1 25 25 LEU HD22 H 1 0.906 0.003 . . . . . . A 25 LEU HD22 . 34649 1 196 . 1 . 1 25 25 LEU HD23 H 1 0.906 0.003 . . . . . . A 25 LEU HD23 . 34649 1 197 . 1 . 1 26 26 ALA H H 1 8.040 0.002 . 1 . . . . A 26 ALA H . 34649 1 198 . 1 . 1 26 26 ALA HA H 1 4.471 0.004 . 1 . . . . A 26 ALA HA . 34649 1 199 . 1 . 1 26 26 ALA HB1 H 1 1.546 0.001 . 1 . . . . A 26 ALA HB1 . 34649 1 200 . 1 . 1 26 26 ALA HB2 H 1 1.546 0.001 . 1 . . . . A 26 ALA HB2 . 34649 1 201 . 1 . 1 26 26 ALA HB3 H 1 1.546 0.001 . 1 . . . . A 26 ALA HB3 . 34649 1 202 . 1 . 1 27 27 GLY H H 1 7.791 0.002 . 1 . . . . A 27 GLY H . 34649 1 203 . 1 . 1 27 27 GLY HA2 H 1 4.304 0.001 . . . . . . A 27 GLY HA2 . 34649 1 204 . 1 . 1 27 27 GLY HA3 H 1 3.936 0.001 . . . . . . A 27 GLY HA3 . 34649 1 205 . 1 . 1 28 28 GLY H H 1 8.312 0.001 . 1 . . . . A 28 GLY H . 34649 1 206 . 1 . 1 28 28 GLY HA2 H 1 4.091 0.005 . . . . . . A 28 GLY HA2 . 34649 1 207 . 1 . 1 28 28 GLY HA3 H 1 3.936 0.004 . . . . . . A 28 GLY HA3 . 34649 1 208 . 1 . 1 29 29 CYS H H 1 8.012 0.002 . 1 . . . . A 29 CYS H . 34649 1 209 . 1 . 1 29 29 CYS HA H 1 4.970 0.002 . 1 . . . . A 29 CYS HA . 34649 1 210 . 1 . 1 29 29 CYS HB2 H 1 3.377 0.006 . . . . . . A 29 CYS HB2 . 34649 1 211 . 1 . 1 29 29 CYS HB3 H 1 2.951 0.003 . . . . . . A 29 CYS HB3 . 34649 1 212 . 1 . 1 30 30 PRO HA H 1 4.662 0.001 . 1 . . . . A 30 PRO HA . 34649 1 213 . 1 . 1 30 30 PRO HB2 H 1 2.324 0.002 . . . . . . A 30 PRO HB2 . 34649 1 214 . 1 . 1 30 30 PRO HB3 H 1 2.064 0.008 . . . . . . A 30 PRO HB3 . 34649 1 215 . 1 . 1 30 30 PRO HG2 H 1 2.006 0.000 . . . . . . A 30 PRO HG2 . 34649 1 216 . 1 . 1 30 30 PRO HG3 H 1 2.006 0.000 . . . . . . A 30 PRO HG3 . 34649 1 217 . 1 . 1 30 30 PRO HD2 H 1 3.768 0.001 . . . . . . A 30 PRO HD2 . 34649 1 218 . 1 . 1 30 30 PRO HD3 H 1 3.661 0.007 . . . . . . A 30 PRO HD3 . 34649 1 219 . 1 . 1 31 31 PRO HA H 1 4.391 0.003 . 1 . . . . A 31 PRO HA . 34649 1 220 . 1 . 1 31 31 PRO HB2 H 1 2.313 0.002 . . . . . . A 31 PRO HB2 . 34649 1 221 . 1 . 1 31 31 PRO HB3 H 1 2.058 0.004 . . . . . . A 31 PRO HB3 . 34649 1 222 . 1 . 1 31 31 PRO HG2 H 1 2.010 0.000 . . . . . . A 31 PRO HG2 . 34649 1 223 . 1 . 1 31 31 PRO HG3 H 1 2.010 0.000 . . . . . . A 31 PRO HG3 . 34649 1 224 . 1 . 1 31 31 PRO HD2 H 1 3.766 0.000 . . . . . . A 31 PRO HD2 . 34649 1 225 . 1 . 1 31 31 PRO HD3 H 1 3.622 0.005 . . . . . . A 31 PRO HD3 . 34649 1 stop_ save_