################################### # 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 31194 _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' . . . 31194 1 2 '2D 1H-1H NOESY' . . . 31194 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 3.998 0.000 . 2 . . . . A 1 GLY HA2 . 31194 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.998 0.000 . 2 . . . . A 1 GLY HA3 . 31194 1 3 . 1 . 1 2 2 PRO HA H 1 4.594 0.001 . 1 . . . . A 2 PRO HA . 31194 1 4 . 1 . 1 2 2 PRO HB2 H 1 2.360 0.001 . 2 . . . . A 2 PRO HB2 . 31194 1 5 . 1 . 1 2 2 PRO HB3 H 1 2.058 0.001 . 2 . . . . A 2 PRO HB3 . 31194 1 6 . 1 . 1 2 2 PRO HG2 H 1 2.038 0.002 . 2 . . . . A 2 PRO HG2 . 31194 1 7 . 1 . 1 2 2 PRO HG3 H 1 1.995 0.001 . 2 . . . . A 2 PRO HG3 . 31194 1 8 . 1 . 1 2 2 PRO HD2 H 1 3.582 0.001 . 2 . . . . A 2 PRO HD2 . 31194 1 9 . 1 . 1 2 2 PRO HD3 H 1 3.582 0.001 . 2 . . . . A 2 PRO HD3 . 31194 1 10 . 1 . 1 3 3 SER H H 1 8.663 0.001 . 1 . . . . A 3 SER H . 31194 1 11 . 1 . 1 3 3 SER HA H 1 4.509 0.001 . 1 . . . . A 3 SER HA . 31194 1 12 . 1 . 1 3 3 SER HB2 H 1 3.878 0.001 . 2 . . . . A 3 SER HB2 . 31194 1 13 . 1 . 1 3 3 SER HB3 H 1 3.829 0.002 . 2 . . . . A 3 SER HB3 . 31194 1 14 . 1 . 1 4 4 GLN H H 1 8.587 0.002 . 1 . . . . A 4 GLN H . 31194 1 15 . 1 . 1 4 4 GLN HA H 1 3.463 0.002 . 1 . . . . A 4 GLN HA . 31194 1 16 . 1 . 1 4 4 GLN HB2 H 1 1.742 0.001 . 2 . . . . A 4 GLN HB2 . 31194 1 17 . 1 . 1 4 4 GLN HB3 H 1 1.627 0.002 . 2 . . . . A 4 GLN HB3 . 31194 1 18 . 1 . 1 4 4 GLN HG2 H 1 2.154 0.002 . 2 . . . . A 4 GLN HG2 . 31194 1 19 . 1 . 1 4 4 GLN HG3 H 1 2.154 0.002 . 2 . . . . A 4 GLN HG3 . 31194 1 20 . 1 . 1 4 4 GLN HE21 H 1 7.269 0.000 . 2 . . . . A 4 GLN HE21 . 31194 1 21 . 1 . 1 4 4 GLN HE22 H 1 7.467 0.002 . 2 . . . . A 4 GLN HE22 . 31194 1 22 . 1 . 1 5 5 PRO HA H 1 4.526 0.000 . 1 . . . . A 5 PRO HA . 31194 1 23 . 1 . 1 5 5 PRO HB2 H 1 2.266 0.002 . 2 . . . . A 5 PRO HB2 . 31194 1 24 . 1 . 1 5 5 PRO HB3 H 1 2.069 0.005 . 2 . . . . A 5 PRO HB3 . 31194 1 25 . 1 . 1 5 5 PRO HG2 H 1 1.752 0.002 . 2 . . . . A 5 PRO HG2 . 31194 1 26 . 1 . 1 5 5 PRO HG3 H 1 1.498 0.002 . 2 . . . . A 5 PRO HG3 . 31194 1 27 . 1 . 1 5 5 PRO HD2 H 1 3.387 0.004 . 2 . . . . A 5 PRO HD2 . 31194 1 28 . 1 . 1 5 5 PRO HD3 H 1 3.094 0.000 . 2 . . . . A 5 PRO HD3 . 31194 1 29 . 1 . 1 6 6 THR H H 1 8.640 0.001 . 1 . . . . A 6 THR H . 31194 1 30 . 1 . 1 6 6 THR HA H 1 4.349 0.001 . 1 . . . . A 6 THR HA . 31194 1 31 . 1 . 1 6 6 THR HB H 1 3.953 0.002 . 1 . . . . A 6 THR HB . 31194 1 32 . 1 . 1 6 6 THR HG21 H 1 1.131 0.001 . 1 . . . . A 6 THR HG21 . 31194 1 33 . 1 . 1 6 6 THR HG22 H 1 1.131 0.001 . 1 . . . . A 6 THR HG22 . 31194 1 34 . 1 . 1 6 6 THR HG23 H 1 1.131 0.001 . 1 . . . . A 6 THR HG23 . 31194 1 35 . 1 . 1 7 7 TYR H H 1 9.007 0.002 . 1 . . . . A 7 TYR H . 31194 1 36 . 1 . 1 7 7 TYR HA H 1 3.626 0.003 . 1 . . . . A 7 TYR HA . 31194 1 37 . 1 . 1 7 7 TYR HB2 H 1 2.127 0.000 . 2 . . . . A 7 TYR HB2 . 31194 1 38 . 1 . 1 7 7 TYR HB3 H 1 1.688 0.001 . 2 . . . . A 7 TYR HB3 . 31194 1 39 . 1 . 1 7 7 TYR HD1 H 1 6.017 0.003 . 3 . . . . A 7 TYR HD1 . 31194 1 40 . 1 . 1 7 7 TYR HD2 H 1 6.017 0.003 . 3 . . . . A 7 TYR HD2 . 31194 1 41 . 1 . 1 7 7 TYR HE1 H 1 6.575 0.000 . 3 . . . . A 7 TYR HE1 . 31194 1 42 . 1 . 1 7 7 TYR HE2 H 1 6.575 0.000 . 3 . . . . A 7 TYR HE2 . 31194 1 43 . 1 . 1 8 8 PRO HA H 1 4.258 0.001 . 1 . . . . A 8 PRO HA . 31194 1 44 . 1 . 1 8 8 PRO HB2 H 1 2.094 0.003 . 2 . . . . A 8 PRO HB2 . 31194 1 45 . 1 . 1 8 8 PRO HB3 H 1 1.758 0.000 . 2 . . . . A 8 PRO HB3 . 31194 1 46 . 1 . 1 8 8 PRO HG2 H 1 1.556 0.002 . 2 . . . . A 8 PRO HG2 . 31194 1 47 . 1 . 1 8 8 PRO HG3 H 1 1.239 0.002 . 2 . . . . A 8 PRO HG3 . 31194 1 48 . 1 . 1 8 8 PRO HD2 H 1 3.386 0.004 . 2 . . . . A 8 PRO HD2 . 31194 1 49 . 1 . 1 8 8 PRO HD3 H 1 2.534 0.003 . 2 . . . . A 8 PRO HD3 . 31194 1 50 . 1 . 1 9 9 GLY HA2 H 1 4.342 0.001 . 2 . . . . A 9 GLY HA2 . 31194 1 51 . 1 . 1 9 9 GLY HA3 H 1 3.378 0.002 . 2 . . . . A 9 GLY HA3 . 31194 1 52 . 1 . 1 10 10 ASP H H 1 8.573 0.001 . 1 . . . . A 10 ASP H . 31194 1 53 . 1 . 1 10 10 ASP HA H 1 4.422 0.001 . 1 . . . . A 10 ASP HA . 31194 1 54 . 1 . 1 10 10 ASP HB2 H 1 2.803 0.000 . 2 . . . . A 10 ASP HB2 . 31194 1 55 . 1 . 1 10 10 ASP HB3 H 1 2.672 0.002 . 2 . . . . A 10 ASP HB3 . 31194 1 56 . 1 . 1 11 11 ASP H H 1 8.443 0.001 . 1 . . . . A 11 ASP H . 31194 1 57 . 1 . 1 11 11 ASP HA H 1 4.748 0.004 . 1 . . . . A 11 ASP HA . 31194 1 58 . 1 . 1 11 11 ASP HB2 H 1 2.893 0.000 . 2 . . . . A 11 ASP HB2 . 31194 1 59 . 1 . 1 11 11 ASP HB3 H 1 2.755 0.001 . 2 . . . . A 11 ASP HB3 . 31194 1 60 . 1 . 1 12 12 ALA H H 1 7.185 0.001 . 1 . . . . A 12 ALA H . 31194 1 61 . 1 . 1 12 12 ALA HA H 1 4.375 0.000 . 1 . . . . A 12 ALA HA . 31194 1 62 . 1 . 1 12 12 ALA HB1 H 1 1.119 0.002 . 1 . . . . A 12 ALA HB1 . 31194 1 63 . 1 . 1 12 12 ALA HB2 H 1 1.119 0.002 . 1 . . . . A 12 ALA HB2 . 31194 1 64 . 1 . 1 12 12 ALA HB3 H 1 1.119 0.002 . 1 . . . . A 12 ALA HB3 . 31194 1 65 . 1 . 1 13 13 PRO HA H 1 4.496 0.001 . 1 . . . . A 13 PRO HA . 31194 1 66 . 1 . 1 13 13 PRO HB2 H 1 2.469 0.002 . 2 . . . . A 13 PRO HB2 . 31194 1 67 . 1 . 1 13 13 PRO HB3 H 1 2.056 0.000 . 2 . . . . A 13 PRO HB3 . 31194 1 68 . 1 . 1 13 13 PRO HG2 H 1 2.056 0.001 . 2 . . . . A 13 PRO HG2 . 31194 1 69 . 1 . 1 13 13 PRO HG3 H 1 1.922 0.004 . 2 . . . . A 13 PRO HG3 . 31194 1 70 . 1 . 1 13 13 PRO HD2 H 1 3.832 0.002 . 2 . . . . A 13 PRO HD2 . 31194 1 71 . 1 . 1 13 13 PRO HD3 H 1 3.690 0.003 . 2 . . . . A 13 PRO HD3 . 31194 1 72 . 1 . 1 14 14 VAL H H 1 8.810 0.000 . 1 . . . . A 14 VAL H . 31194 1 73 . 1 . 1 14 14 VAL HA H 1 3.711 0.001 . 1 . . . . A 14 VAL HA . 31194 1 74 . 1 . 1 14 14 VAL HB H 1 2.107 0.000 . 1 . . . . A 14 VAL HB . 31194 1 75 . 1 . 1 14 14 VAL HG11 H 1 0.915 0.000 . 2 . . . . A 14 VAL HG11 . 31194 1 76 . 1 . 1 14 14 VAL HG12 H 1 0.915 0.000 . 2 . . . . A 14 VAL HG12 . 31194 1 77 . 1 . 1 14 14 VAL HG13 H 1 0.915 0.000 . 2 . . . . A 14 VAL HG13 . 31194 1 78 . 1 . 1 14 14 VAL HG21 H 1 1.042 0.002 . 2 . . . . A 14 VAL HG21 . 31194 1 79 . 1 . 1 14 14 VAL HG22 H 1 1.042 0.002 . 2 . . . . A 14 VAL HG22 . 31194 1 80 . 1 . 1 14 14 VAL HG23 H 1 1.042 0.002 . 2 . . . . A 14 VAL HG23 . 31194 1 81 . 1 . 1 15 15 GLU H H 1 9.163 0.000 . 1 . . . . A 15 GLU H . 31194 1 82 . 1 . 1 15 15 GLU HA H 1 4.082 0.001 . 1 . . . . A 15 GLU HA . 31194 1 83 . 1 . 1 15 15 GLU HB2 H 1 2.078 0.000 . 2 . . . . A 15 GLU HB2 . 31194 1 84 . 1 . 1 15 15 GLU HB3 H 1 2.034 0.000 . 2 . . . . A 15 GLU HB3 . 31194 1 85 . 1 . 1 15 15 GLU HG2 H 1 2.506 0.000 . 2 . . . . A 15 GLU HG2 . 31194 1 86 . 1 . 1 15 15 GLU HG3 H 1 2.430 0.000 . 2 . . . . A 15 GLU HG3 . 31194 1 87 . 1 . 1 16 16 ASP H H 1 7.567 0.001 . 1 . . . . A 16 ASP H . 31194 1 88 . 1 . 1 16 16 ASP HA H 1 4.598 0.001 . 1 . . . . A 16 ASP HA . 31194 1 89 . 1 . 1 16 16 ASP HB2 H 1 2.862 0.000 . 2 . . . . A 16 ASP HB2 . 31194 1 90 . 1 . 1 16 16 ASP HB3 H 1 2.550 0.001 . 2 . . . . A 16 ASP HB3 . 31194 1 91 . 1 . 1 17 17 LEU H H 1 7.885 0.001 . 1 . . . . A 17 LEU H . 31194 1 92 . 1 . 1 17 17 LEU HA H 1 4.271 0.001 . 1 . . . . A 17 LEU HA . 31194 1 93 . 1 . 1 17 17 LEU HB2 H 1 2.059 0.000 . 2 . . . . A 17 LEU HB2 . 31194 1 94 . 1 . 1 17 17 LEU HB3 H 1 1.706 0.003 . 2 . . . . A 17 LEU HB3 . 31194 1 95 . 1 . 1 17 17 LEU HG H 1 1.735 0.001 . 1 . . . . A 17 LEU HG . 31194 1 96 . 1 . 1 17 17 LEU HD11 H 1 0.937 0.003 . 2 . . . . A 17 LEU HD11 . 31194 1 97 . 1 . 1 17 17 LEU HD12 H 1 0.937 0.003 . 2 . . . . A 17 LEU HD12 . 31194 1 98 . 1 . 1 17 17 LEU HD13 H 1 0.937 0.003 . 2 . . . . A 17 LEU HD13 . 31194 1 99 . 1 . 1 17 17 LEU HD21 H 1 1.082 0.006 . 2 . . . . A 17 LEU HD21 . 31194 1 100 . 1 . 1 17 17 LEU HD22 H 1 1.082 0.006 . 2 . . . . A 17 LEU HD22 . 31194 1 101 . 1 . 1 17 17 LEU HD23 H 1 1.082 0.006 . 2 . . . . A 17 LEU HD23 . 31194 1 102 . 1 . 1 18 18 ILE H H 1 8.735 0.000 . 1 . . . . A 18 ILE H . 31194 1 103 . 1 . 1 18 18 ILE HA H 1 3.682 0.003 . 1 . . . . A 18 ILE HA . 31194 1 104 . 1 . 1 18 18 ILE HB H 1 1.854 0.002 . 1 . . . . A 18 ILE HB . 31194 1 105 . 1 . 1 18 18 ILE HG12 H 1 1.781 0.002 . 2 . . . . A 18 ILE HG12 . 31194 1 106 . 1 . 1 18 18 ILE HG13 H 1 0.885 0.002 . 2 . . . . A 18 ILE HG13 . 31194 1 107 . 1 . 1 18 18 ILE HG21 H 1 0.951 0.002 . 1 . . . . A 18 ILE HG21 . 31194 1 108 . 1 . 1 18 18 ILE HG22 H 1 0.951 0.002 . 1 . . . . A 18 ILE HG22 . 31194 1 109 . 1 . 1 18 18 ILE HG23 H 1 0.951 0.002 . 1 . . . . A 18 ILE HG23 . 31194 1 110 . 1 . 1 18 18 ILE HD11 H 1 0.825 0.001 . 1 . . . . A 18 ILE HD11 . 31194 1 111 . 1 . 1 18 18 ILE HD12 H 1 0.825 0.001 . 1 . . . . A 18 ILE HD12 . 31194 1 112 . 1 . 1 18 18 ILE HD13 H 1 0.825 0.001 . 1 . . . . A 18 ILE HD13 . 31194 1 113 . 1 . 1 19 19 ARG H H 1 7.631 0.000 . 1 . . . . A 19 ARG H . 31194 1 114 . 1 . 1 19 19 ARG HA H 1 4.182 0.002 . 1 . . . . A 19 ARG HA . 31194 1 115 . 1 . 1 19 19 ARG HB2 H 1 2.029 0.001 . 2 . . . . A 19 ARG HB2 . 31194 1 116 . 1 . 1 19 19 ARG HB3 H 1 2.029 0.001 . 2 . . . . A 19 ARG HB3 . 31194 1 117 . 1 . 1 19 19 ARG HG2 H 1 1.905 0.001 . 2 . . . . A 19 ARG HG2 . 31194 1 118 . 1 . 1 19 19 ARG HG3 H 1 1.741 0.001 . 2 . . . . A 19 ARG HG3 . 31194 1 119 . 1 . 1 19 19 ARG HD2 H 1 3.356 0.001 . 2 . . . . A 19 ARG HD2 . 31194 1 120 . 1 . 1 19 19 ARG HD3 H 1 3.328 0.002 . 2 . . . . A 19 ARG HD3 . 31194 1 121 . 1 . 1 19 19 ARG HE H 1 7.345 0.001 . 1 . . . . A 19 ARG HE . 31194 1 122 . 1 . 1 20 20 PHE H H 1 8.067 0.001 . 1 . . . . A 20 PHE H . 31194 1 123 . 1 . 1 20 20 PHE HA H 1 4.456 0.000 . 1 . . . . A 20 PHE HA . 31194 1 124 . 1 . 1 20 20 PHE HB2 H 1 3.350 0.000 . 2 . . . . A 20 PHE HB2 . 31194 1 125 . 1 . 1 20 20 PHE HB3 H 1 3.350 0.000 . 2 . . . . A 20 PHE HB3 . 31194 1 126 . 1 . 1 20 20 PHE HD1 H 1 7.458 0.000 . 3 . . . . A 20 PHE HD1 . 31194 1 127 . 1 . 1 20 20 PHE HD2 H 1 7.458 0.000 . 3 . . . . A 20 PHE HD2 . 31194 1 128 . 1 . 1 20 20 PHE HE1 H 1 7.379 0.001 . 3 . . . . A 20 PHE HE1 . 31194 1 129 . 1 . 1 20 20 PHE HE2 H 1 7.379 0.001 . 3 . . . . A 20 PHE HE2 . 31194 1 130 . 1 . 1 21 21 TYR H H 1 9.050 0.000 . 1 . . . . A 21 TYR H . 31194 1 131 . 1 . 1 21 21 TYR HA H 1 3.872 0.001 . 1 . . . . A 21 TYR HA . 31194 1 132 . 1 . 1 21 21 TYR HB2 H 1 3.489 0.000 . 2 . . . . A 21 TYR HB2 . 31194 1 133 . 1 . 1 21 21 TYR HB3 H 1 3.068 0.000 . 2 . . . . A 21 TYR HB3 . 31194 1 134 . 1 . 1 21 21 TYR HD1 H 1 6.940 0.000 . 3 . . . . A 21 TYR HD1 . 31194 1 135 . 1 . 1 21 21 TYR HD2 H 1 6.940 0.000 . 3 . . . . A 21 TYR HD2 . 31194 1 136 . 1 . 1 21 21 TYR HE1 H 1 6.473 0.000 . 3 . . . . A 21 TYR HE1 . 31194 1 137 . 1 . 1 21 21 TYR HE2 H 1 6.473 0.000 . 3 . . . . A 21 TYR HE2 . 31194 1 138 . 1 . 1 22 22 ASP H H 1 8.704 0.001 . 1 . . . . A 22 ASP H . 31194 1 139 . 1 . 1 22 22 ASP HA H 1 4.300 0.001 . 1 . . . . A 22 ASP HA . 31194 1 140 . 1 . 1 22 22 ASP HB2 H 1 3.071 0.003 . 2 . . . . A 22 ASP HB2 . 31194 1 141 . 1 . 1 22 22 ASP HB3 H 1 2.927 0.002 . 2 . . . . A 22 ASP HB3 . 31194 1 142 . 1 . 1 23 23 ASN H H 1 8.397 0.000 . 1 . . . . A 23 ASN H . 31194 1 143 . 1 . 1 23 23 ASN HA H 1 4.586 0.001 . 1 . . . . A 23 ASN HA . 31194 1 144 . 1 . 1 23 23 ASN HB2 H 1 2.849 0.001 . 2 . . . . A 23 ASN HB2 . 31194 1 145 . 1 . 1 23 23 ASN HB3 H 1 2.692 0.000 . 2 . . . . A 23 ASN HB3 . 31194 1 146 . 1 . 1 23 23 ASN HD21 H 1 7.040 0.000 . 2 . . . . A 23 ASN HD21 . 31194 1 147 . 1 . 1 23 23 ASN HD22 H 1 7.730 0.000 . 2 . . . . A 23 ASN HD22 . 31194 1 148 . 1 . 1 24 24 LEU H H 1 9.524 0.000 . 1 . . . . A 24 LEU H . 31194 1 149 . 1 . 1 24 24 LEU HA H 1 3.955 0.001 . 1 . . . . A 24 LEU HA . 31194 1 150 . 1 . 1 24 24 LEU HB2 H 1 1.804 0.000 . 2 . . . . A 24 LEU HB2 . 31194 1 151 . 1 . 1 24 24 LEU HB3 H 1 1.311 0.002 . 2 . . . . A 24 LEU HB3 . 31194 1 152 . 1 . 1 24 24 LEU HG H 1 1.619 0.004 . 1 . . . . A 24 LEU HG . 31194 1 153 . 1 . 1 24 24 LEU HD11 H 1 0.909 0.000 . 2 . . . . A 24 LEU HD11 . 31194 1 154 . 1 . 1 24 24 LEU HD12 H 1 0.909 0.000 . 2 . . . . A 24 LEU HD12 . 31194 1 155 . 1 . 1 24 24 LEU HD13 H 1 0.909 0.000 . 2 . . . . A 24 LEU HD13 . 31194 1 156 . 1 . 1 24 24 LEU HD21 H 1 1.097 0.001 . 2 . . . . A 24 LEU HD21 . 31194 1 157 . 1 . 1 24 24 LEU HD22 H 1 1.097 0.001 . 2 . . . . A 24 LEU HD22 . 31194 1 158 . 1 . 1 24 24 LEU HD23 H 1 1.097 0.001 . 2 . . . . A 24 LEU HD23 . 31194 1 159 . 1 . 1 25 25 GLN H H 1 8.572 0.001 . 1 . . . . A 25 GLN H . 31194 1 160 . 1 . 1 25 25 GLN HA H 1 3.329 0.002 . 1 . . . . A 25 GLN HA . 31194 1 161 . 1 . 1 25 25 GLN HB2 H 1 2.065 0.000 . 2 . . . . A 25 GLN HB2 . 31194 1 162 . 1 . 1 25 25 GLN HB3 H 1 2.004 0.001 . 2 . . . . A 25 GLN HB3 . 31194 1 163 . 1 . 1 25 25 GLN HG2 H 1 2.279 0.001 . 2 . . . . A 25 GLN HG2 . 31194 1 164 . 1 . 1 25 25 GLN HG3 H 1 2.279 0.001 . 2 . . . . A 25 GLN HG3 . 31194 1 165 . 1 . 1 25 25 GLN HE21 H 1 6.948 0.000 . 2 . . . . A 25 GLN HE21 . 31194 1 166 . 1 . 1 25 25 GLN HE22 H 1 7.398 0.000 . 2 . . . . A 25 GLN HE22 . 31194 1 167 . 1 . 1 26 26 GLN H H 1 7.299 0.001 . 1 . . . . A 26 GLN H . 31194 1 168 . 1 . 1 26 26 GLN HA H 1 4.064 0.001 . 1 . . . . A 26 GLN HA . 31194 1 169 . 1 . 1 26 26 GLN HB2 H 1 2.207 0.000 . 2 . . . . A 26 GLN HB2 . 31194 1 170 . 1 . 1 26 26 GLN HB3 H 1 2.207 0.000 . 2 . . . . A 26 GLN HB3 . 31194 1 171 . 1 . 1 26 26 GLN HG2 H 1 2.574 0.001 . 2 . . . . A 26 GLN HG2 . 31194 1 172 . 1 . 1 26 26 GLN HG3 H 1 2.508 0.005 . 2 . . . . A 26 GLN HG3 . 31194 1 173 . 1 . 1 26 26 GLN HE21 H 1 6.918 0.000 . 2 . . . . A 26 GLN HE21 . 31194 1 174 . 1 . 1 26 26 GLN HE22 H 1 7.529 0.000 . 2 . . . . A 26 GLN HE22 . 31194 1 175 . 1 . 1 27 27 TYR H H 1 7.956 0.001 . 1 . . . . A 27 TYR H . 31194 1 176 . 1 . 1 27 27 TYR HA H 1 4.207 0.001 . 1 . . . . A 27 TYR HA . 31194 1 177 . 1 . 1 27 27 TYR HB2 H 1 3.208 0.002 . 2 . . . . A 27 TYR HB2 . 31194 1 178 . 1 . 1 27 27 TYR HB3 H 1 3.044 0.002 . 2 . . . . A 27 TYR HB3 . 31194 1 179 . 1 . 1 27 27 TYR HD1 H 1 6.941 0.000 . 3 . . . . A 27 TYR HD1 . 31194 1 180 . 1 . 1 27 27 TYR HD2 H 1 6.941 0.000 . 3 . . . . A 27 TYR HD2 . 31194 1 181 . 1 . 1 27 27 TYR HE1 H 1 6.658 0.000 . 3 . . . . A 27 TYR HE1 . 31194 1 182 . 1 . 1 27 27 TYR HE2 H 1 6.658 0.000 . 3 . . . . A 27 TYR HE2 . 31194 1 183 . 1 . 1 28 28 LEU H H 1 8.868 0.000 . 1 . . . . A 28 LEU H . 31194 1 184 . 1 . 1 28 28 LEU HA H 1 3.773 0.002 . 1 . . . . A 28 LEU HA . 31194 1 185 . 1 . 1 28 28 LEU HB2 H 1 1.549 0.003 . 2 . . . . A 28 LEU HB2 . 31194 1 186 . 1 . 1 28 28 LEU HB3 H 1 0.966 0.004 . 2 . . . . A 28 LEU HB3 . 31194 1 187 . 1 . 1 28 28 LEU HG H 1 1.761 0.003 . 1 . . . . A 28 LEU HG . 31194 1 188 . 1 . 1 28 28 LEU HD11 H 1 0.350 0.001 . 2 . . . . A 28 LEU HD11 . 31194 1 189 . 1 . 1 28 28 LEU HD12 H 1 0.350 0.001 . 2 . . . . A 28 LEU HD12 . 31194 1 190 . 1 . 1 28 28 LEU HD13 H 1 0.350 0.001 . 2 . . . . A 28 LEU HD13 . 31194 1 191 . 1 . 1 28 28 LEU HD21 H 1 0.709 0.001 . 2 . . . . A 28 LEU HD21 . 31194 1 192 . 1 . 1 28 28 LEU HD22 H 1 0.709 0.001 . 2 . . . . A 28 LEU HD22 . 31194 1 193 . 1 . 1 28 28 LEU HD23 H 1 0.709 0.001 . 2 . . . . A 28 LEU HD23 . 31194 1 194 . 1 . 1 29 29 ASN H H 1 8.067 0.001 . 1 . . . . A 29 ASN H . 31194 1 195 . 1 . 1 29 29 ASN HA H 1 4.413 0.000 . 1 . . . . A 29 ASN HA . 31194 1 196 . 1 . 1 29 29 ASN HB2 H 1 2.955 0.003 . 2 . . . . A 29 ASN HB2 . 31194 1 197 . 1 . 1 29 29 ASN HB3 H 1 2.768 0.000 . 2 . . . . A 29 ASN HB3 . 31194 1 198 . 1 . 1 29 29 ASN HD21 H 1 6.947 0.000 . 2 . . . . A 29 ASN HD21 . 31194 1 199 . 1 . 1 29 29 ASN HD22 H 1 7.502 0.000 . 2 . . . . A 29 ASN HD22 . 31194 1 200 . 1 . 1 30 30 VAL H H 1 7.438 0.000 . 1 . . . . A 30 VAL H . 31194 1 201 . 1 . 1 30 30 VAL HA H 1 3.819 0.002 . 1 . . . . A 30 VAL HA . 31194 1 202 . 1 . 1 30 30 VAL HB H 1 2.131 0.001 . 1 . . . . A 30 VAL HB . 31194 1 203 . 1 . 1 30 30 VAL HG11 H 1 0.883 0.001 . 2 . . . . A 30 VAL HG11 . 31194 1 204 . 1 . 1 30 30 VAL HG12 H 1 0.883 0.001 . 2 . . . . A 30 VAL HG12 . 31194 1 205 . 1 . 1 30 30 VAL HG13 H 1 0.883 0.001 . 2 . . . . A 30 VAL HG13 . 31194 1 206 . 1 . 1 30 30 VAL HG21 H 1 1.050 0.001 . 2 . . . . A 30 VAL HG21 . 31194 1 207 . 1 . 1 30 30 VAL HG22 H 1 1.050 0.001 . 2 . . . . A 30 VAL HG22 . 31194 1 208 . 1 . 1 30 30 VAL HG23 H 1 1.050 0.001 . 2 . . . . A 30 VAL HG23 . 31194 1 209 . 1 . 1 31 31 VAL H H 1 7.982 0.000 . 1 . . . . A 31 VAL H . 31194 1 210 . 1 . 1 31 31 VAL HA H 1 3.934 0.002 . 1 . . . . A 31 VAL HA . 31194 1 211 . 1 . 1 31 31 VAL HB H 1 1.935 0.002 . 1 . . . . A 31 VAL HB . 31194 1 212 . 1 . 1 31 31 VAL HG11 H 1 0.609 0.000 . 2 . . . . A 31 VAL HG11 . 31194 1 213 . 1 . 1 31 31 VAL HG12 H 1 0.609 0.000 . 2 . . . . A 31 VAL HG12 . 31194 1 214 . 1 . 1 31 31 VAL HG13 H 1 0.609 0.000 . 2 . . . . A 31 VAL HG13 . 31194 1 215 . 1 . 1 31 31 VAL HG21 H 1 0.681 0.001 . 2 . . . . A 31 VAL HG21 . 31194 1 216 . 1 . 1 31 31 VAL HG22 H 1 0.681 0.001 . 2 . . . . A 31 VAL HG22 . 31194 1 217 . 1 . 1 31 31 VAL HG23 H 1 0.681 0.001 . 2 . . . . A 31 VAL HG23 . 31194 1 218 . 1 . 1 32 32 THR H H 1 7.898 0.001 . 1 . . . . A 32 THR H . 31194 1 219 . 1 . 1 32 32 THR HA H 1 4.389 0.002 . 1 . . . . A 32 THR HA . 31194 1 220 . 1 . 1 32 32 THR HB H 1 4.378 0.001 . 1 . . . . A 32 THR HB . 31194 1 221 . 1 . 1 32 32 THR HG21 H 1 1.221 0.000 . 1 . . . . A 32 THR HG21 . 31194 1 222 . 1 . 1 32 32 THR HG22 H 1 1.221 0.000 . 1 . . . . A 32 THR HG22 . 31194 1 223 . 1 . 1 32 32 THR HG23 H 1 1.221 0.000 . 1 . . . . A 32 THR HG23 . 31194 1 224 . 1 . 1 33 33 ARG H H 1 7.572 0.001 . 1 . . . . A 33 ARG H . 31194 1 225 . 1 . 1 33 33 ARG HA H 1 4.124 0.002 . 1 . . . . A 33 ARG HA . 31194 1 226 . 1 . 1 33 33 ARG HB2 H 1 1.861 0.002 . 2 . . . . A 33 ARG HB2 . 31194 1 227 . 1 . 1 33 33 ARG HB3 H 1 1.861 0.002 . 2 . . . . A 33 ARG HB3 . 31194 1 228 . 1 . 1 33 33 ARG HG2 H 1 1.612 0.003 . 2 . . . . A 33 ARG HG2 . 31194 1 229 . 1 . 1 33 33 ARG HG3 H 1 1.571 0.001 . 2 . . . . A 33 ARG HG3 . 31194 1 230 . 1 . 1 33 33 ARG HD2 H 1 3.177 0.000 . 2 . . . . A 33 ARG HD2 . 31194 1 231 . 1 . 1 33 33 ARG HD3 H 1 3.177 0.000 . 2 . . . . A 33 ARG HD3 . 31194 1 232 . 1 . 1 33 33 ARG HE H 1 7.149 0.001 . 1 . . . . A 33 ARG HE . 31194 1 233 . 1 . 1 34 34 HIS H H 1 8.353 0.001 . 1 . . . . A 34 HIS H . 31194 1 234 . 1 . 1 34 34 HIS HA H 1 4.521 0.002 . 1 . . . . A 34 HIS HA . 31194 1 235 . 1 . 1 34 34 HIS HB2 H 1 3.193 0.002 . 2 . . . . A 34 HIS HB2 . 31194 1 236 . 1 . 1 34 34 HIS HB3 H 1 3.110 0.001 . 2 . . . . A 34 HIS HB3 . 31194 1 237 . 1 . 1 34 34 HIS HD2 H 1 6.978 0.001 . 1 . . . . A 34 HIS HD2 . 31194 1 238 . 1 . 1 34 34 HIS HE1 H 1 8.572 0.000 . 1 . . . . A 34 HIS HE1 . 31194 1 239 . 1 . 1 35 35 ARG H H 1 8.086 0.001 . 1 . . . . A 35 ARG H . 31194 1 240 . 1 . 1 35 35 ARG HA H 1 4.242 0.002 . 1 . . . . A 35 ARG HA . 31194 1 241 . 1 . 1 35 35 ARG HB2 H 1 1.655 0.002 . 2 . . . . A 35 ARG HB2 . 31194 1 242 . 1 . 1 35 35 ARG HB3 H 1 1.655 0.002 . 2 . . . . A 35 ARG HB3 . 31194 1 243 . 1 . 1 35 35 ARG HG2 H 1 1.497 0.001 . 2 . . . . A 35 ARG HG2 . 31194 1 244 . 1 . 1 35 35 ARG HG3 H 1 1.409 0.002 . 2 . . . . A 35 ARG HG3 . 31194 1 245 . 1 . 1 35 35 ARG HD2 H 1 3.119 0.003 . 2 . . . . A 35 ARG HD2 . 31194 1 246 . 1 . 1 35 35 ARG HD3 H 1 3.119 0.003 . 2 . . . . A 35 ARG HD3 . 31194 1 247 . 1 . 1 35 35 ARG HE H 1 7.154 0.001 . 1 . . . . A 35 ARG HE . 31194 1 248 . 1 . 1 36 36 TYR H H 1 8.344 0.000 . 1 . . . . A 36 TYR H . 31194 1 249 . 1 . 1 36 36 TYR HA H 1 4.532 0.002 . 1 . . . . A 36 TYR HA . 31194 1 250 . 1 . 1 36 36 TYR HB2 H 1 3.058 0.002 . 2 . . . . A 36 TYR HB2 . 31194 1 251 . 1 . 1 36 36 TYR HB3 H 1 2.805 0.001 . 2 . . . . A 36 TYR HB3 . 31194 1 252 . 1 . 1 36 36 TYR HD1 H 1 7.106 0.000 . 3 . . . . A 36 TYR HD1 . 31194 1 253 . 1 . 1 36 36 TYR HD2 H 1 7.106 0.000 . 3 . . . . A 36 TYR HD2 . 31194 1 254 . 1 . 1 36 36 TYR HE1 H 1 6.779 0.000 . 3 . . . . A 36 TYR HE1 . 31194 1 255 . 1 . 1 36 36 TYR HE2 H 1 6.779 0.000 . 3 . . . . A 36 TYR HE2 . 31194 1 256 . 1 . 1 37 37 NH2 HN1 H 1 7.575 0.000 . 2 . . . . A 37 NH2 HN1 . 31194 1 257 . 1 . 1 37 37 NH2 HN2 H 1 7.035 0.000 . 2 . . . . A 37 NH2 HN2 . 31194 1 stop_ save_