################################### # 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 31195 _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' . . . 31195 1 2 '2D 1H-1H NOESY' . . . 31195 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 3.996 0.000 . 2 . . . . A 1 GLY HA2 . 31195 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.996 0.000 . 2 . . . . A 1 GLY HA3 . 31195 1 3 . 1 . 1 2 2 PRO HA H 1 4.665 0.002 . 1 . . . . A 2 PRO HA . 31195 1 4 . 1 . 1 2 2 PRO HB2 H 1 2.406 0.000 . 2 . . . . A 2 PRO HB2 . 31195 1 5 . 1 . 1 2 2 PRO HB3 H 1 2.084 0.000 . 2 . . . . A 2 PRO HB3 . 31195 1 6 . 1 . 1 2 2 PRO HG2 H 1 2.054 0.000 . 2 . . . . A 2 PRO HG2 . 31195 1 7 . 1 . 1 2 2 PRO HG3 H 1 2.054 0.000 . 2 . . . . A 2 PRO HG3 . 31195 1 8 . 1 . 1 2 2 PRO HD2 H 1 3.594 0.000 . 2 . . . . A 2 PRO HD2 . 31195 1 9 . 1 . 1 2 2 PRO HD3 H 1 3.594 0.000 . 2 . . . . A 2 PRO HD3 . 31195 1 10 . 1 . 1 3 3 SER H H 1 8.693 0.000 . 1 . . . . A 3 SER H . 31195 1 11 . 1 . 1 3 3 SER HA H 1 5.345 0.001 . 1 . . . . A 3 SER HA . 31195 1 12 . 1 . 1 3 3 SER HB2 H 1 3.937 0.002 . 2 . . . . A 3 SER HB2 . 31195 1 13 . 1 . 1 3 3 SER HB3 H 1 3.813 0.002 . 2 . . . . A 3 SER HB3 . 31195 1 14 . 1 . 1 4 4 A1A3M HA H 1 3.463 0.000 . 1 . . . . A 4 A1A3M HA . 31195 1 15 . 1 . 1 4 4 A1A3M HB1 H 1 2.643 0.001 . 2 . . . . A 4 A1A3M HB1 . 31195 1 16 . 1 . 1 4 4 A1A3M HB2 H 1 2.947 0.002 . 2 . . . . A 4 A1A3M HB2 . 31195 1 17 . 1 . 1 4 4 A1A3M HG H 1 7.260 0.000 . 1 . . . . A 4 A1A3M HG . 31195 1 18 . 1 . 1 5 5 PRO HA H 1 4.497 0.001 . 1 . . . . A 5 PRO HA . 31195 1 19 . 1 . 1 5 5 PRO HB2 H 1 2.270 0.002 . 2 . . . . A 5 PRO HB2 . 31195 1 20 . 1 . 1 5 5 PRO HB3 H 1 2.102 0.001 . 2 . . . . A 5 PRO HB3 . 31195 1 21 . 1 . 1 5 5 PRO HG2 H 1 1.789 0.003 . 2 . . . . A 5 PRO HG2 . 31195 1 22 . 1 . 1 5 5 PRO HG3 H 1 1.397 0.002 . 2 . . . . A 5 PRO HG3 . 31195 1 23 . 1 . 1 5 5 PRO HD2 H 1 3.236 0.002 . 2 . . . . A 5 PRO HD2 . 31195 1 24 . 1 . 1 5 5 PRO HD3 H 1 3.236 0.002 . 2 . . . . A 5 PRO HD3 . 31195 1 25 . 1 . 1 6 6 THR H H 1 8.523 0.001 . 1 . . . . A 6 THR H . 31195 1 26 . 1 . 1 6 6 THR HA H 1 4.275 0.001 . 1 . . . . A 6 THR HA . 31195 1 27 . 1 . 1 6 6 THR HB H 1 3.931 0.000 . 1 . . . . A 6 THR HB . 31195 1 28 . 1 . 1 6 6 THR HG21 H 1 1.136 0.001 . 1 . . . . A 6 THR HG21 . 31195 1 29 . 1 . 1 6 6 THR HG22 H 1 1.136 0.001 . 1 . . . . A 6 THR HG22 . 31195 1 30 . 1 . 1 6 6 THR HG23 H 1 1.136 0.001 . 1 . . . . A 6 THR HG23 . 31195 1 31 . 1 . 1 7 7 TYR H H 1 9.017 0.000 . 1 . . . . A 7 TYR H . 31195 1 32 . 1 . 1 7 7 TYR HA H 1 3.827 0.002 . 1 . . . . A 7 TYR HA . 31195 1 33 . 1 . 1 7 7 TYR HB2 H 1 2.199 0.000 . 2 . . . . A 7 TYR HB2 . 31195 1 34 . 1 . 1 7 7 TYR HB3 H 1 1.822 0.000 . 2 . . . . A 7 TYR HB3 . 31195 1 35 . 1 . 1 7 7 TYR HD1 H 1 5.825 0.005 . 3 . . . . A 7 TYR HD1 . 31195 1 36 . 1 . 1 7 7 TYR HD2 H 1 5.825 0.005 . 3 . . . . A 7 TYR HD2 . 31195 1 37 . 1 . 1 7 7 TYR HE1 H 1 6.522 0.000 . 3 . . . . A 7 TYR HE1 . 31195 1 38 . 1 . 1 7 7 TYR HE2 H 1 6.522 0.000 . 3 . . . . A 7 TYR HE2 . 31195 1 39 . 1 . 1 8 8 PRO HA H 1 4.272 0.002 . 1 . . . . A 8 PRO HA . 31195 1 40 . 1 . 1 8 8 PRO HB2 H 1 2.107 0.003 . 2 . . . . A 8 PRO HB2 . 31195 1 41 . 1 . 1 8 8 PRO HB3 H 1 1.762 0.006 . 2 . . . . A 8 PRO HB3 . 31195 1 42 . 1 . 1 8 8 PRO HG2 H 1 1.583 0.001 . 2 . . . . A 8 PRO HG2 . 31195 1 43 . 1 . 1 8 8 PRO HG3 H 1 1.236 0.000 . 2 . . . . A 8 PRO HG3 . 31195 1 44 . 1 . 1 8 8 PRO HD2 H 1 3.454 0.002 . 2 . . . . A 8 PRO HD2 . 31195 1 45 . 1 . 1 8 8 PRO HD3 H 1 2.577 0.003 . 2 . . . . A 8 PRO HD3 . 31195 1 46 . 1 . 1 9 9 GLY HA2 H 1 4.376 0.000 . 2 . . . . A 9 GLY HA2 . 31195 1 47 . 1 . 1 9 9 GLY HA3 H 1 3.419 0.000 . 2 . . . . A 9 GLY HA3 . 31195 1 48 . 1 . 1 10 10 ASP H H 1 8.581 0.002 . 1 . . . . A 10 ASP H . 31195 1 49 . 1 . 1 10 10 ASP HA H 1 4.455 0.000 . 1 . . . . A 10 ASP HA . 31195 1 50 . 1 . 1 10 10 ASP HB2 H 1 2.819 0.001 . 2 . . . . A 10 ASP HB2 . 31195 1 51 . 1 . 1 10 10 ASP HB3 H 1 2.652 0.001 . 2 . . . . A 10 ASP HB3 . 31195 1 52 . 1 . 1 11 11 ASP H H 1 8.435 0.001 . 1 . . . . A 11 ASP H . 31195 1 53 . 1 . 1 11 11 ASP HA H 1 4.790 0.001 . 1 . . . . A 11 ASP HA . 31195 1 54 . 1 . 1 11 11 ASP HB2 H 1 2.887 0.000 . 2 . . . . A 11 ASP HB2 . 31195 1 55 . 1 . 1 11 11 ASP HB3 H 1 2.778 0.002 . 2 . . . . A 11 ASP HB3 . 31195 1 56 . 1 . 1 12 12 ALA H H 1 7.086 0.001 . 1 . . . . A 12 ALA H . 31195 1 57 . 1 . 1 12 12 ALA HA H 1 4.354 0.002 . 1 . . . . A 12 ALA HA . 31195 1 58 . 1 . 1 12 12 ALA HB1 H 1 1.133 0.002 . 1 . . . . A 12 ALA HB1 . 31195 1 59 . 1 . 1 12 12 ALA HB2 H 1 1.133 0.002 . 1 . . . . A 12 ALA HB2 . 31195 1 60 . 1 . 1 12 12 ALA HB3 H 1 1.133 0.002 . 1 . . . . A 12 ALA HB3 . 31195 1 61 . 1 . 1 13 13 PRO HA H 1 4.498 0.001 . 1 . . . . A 13 PRO HA . 31195 1 62 . 1 . 1 13 13 PRO HB2 H 1 2.470 0.000 . 2 . . . . A 13 PRO HB2 . 31195 1 63 . 1 . 1 13 13 PRO HB3 H 1 2.052 0.001 . 2 . . . . A 13 PRO HB3 . 31195 1 64 . 1 . 1 13 13 PRO HG2 H 1 2.052 0.001 . 2 . . . . A 13 PRO HG2 . 31195 1 65 . 1 . 1 13 13 PRO HG3 H 1 1.932 0.003 . 2 . . . . A 13 PRO HG3 . 31195 1 66 . 1 . 1 13 13 PRO HD2 H 1 3.824 0.001 . 2 . . . . A 13 PRO HD2 . 31195 1 67 . 1 . 1 13 13 PRO HD3 H 1 3.703 0.001 . 2 . . . . A 13 PRO HD3 . 31195 1 68 . 1 . 1 14 14 VAL H H 1 8.766 0.000 . 1 . . . . A 14 VAL H . 31195 1 69 . 1 . 1 14 14 VAL HA H 1 3.697 0.001 . 1 . . . . A 14 VAL HA . 31195 1 70 . 1 . 1 14 14 VAL HB H 1 2.105 0.001 . 1 . . . . A 14 VAL HB . 31195 1 71 . 1 . 1 14 14 VAL HG11 H 1 0.915 0.000 . 2 . . . . A 14 VAL HG11 . 31195 1 72 . 1 . 1 14 14 VAL HG12 H 1 0.915 0.000 . 2 . . . . A 14 VAL HG12 . 31195 1 73 . 1 . 1 14 14 VAL HG13 H 1 0.915 0.000 . 2 . . . . A 14 VAL HG13 . 31195 1 74 . 1 . 1 14 14 VAL HG21 H 1 1.046 0.001 . 2 . . . . A 14 VAL HG21 . 31195 1 75 . 1 . 1 14 14 VAL HG22 H 1 1.046 0.001 . 2 . . . . A 14 VAL HG22 . 31195 1 76 . 1 . 1 14 14 VAL HG23 H 1 1.046 0.001 . 2 . . . . A 14 VAL HG23 . 31195 1 77 . 1 . 1 15 15 GLU H H 1 9.168 0.001 . 1 . . . . A 15 GLU H . 31195 1 78 . 1 . 1 15 15 GLU HA H 1 4.076 0.001 . 1 . . . . A 15 GLU HA . 31195 1 79 . 1 . 1 15 15 GLU HB2 H 1 2.079 0.001 . 2 . . . . A 15 GLU HB2 . 31195 1 80 . 1 . 1 15 15 GLU HB3 H 1 2.037 0.000 . 2 . . . . A 15 GLU HB3 . 31195 1 81 . 1 . 1 15 15 GLU HG2 H 1 2.497 0.000 . 2 . . . . A 15 GLU HG2 . 31195 1 82 . 1 . 1 15 15 GLU HG3 H 1 2.423 0.000 . 2 . . . . A 15 GLU HG3 . 31195 1 83 . 1 . 1 16 16 ASP H H 1 7.571 0.001 . 1 . . . . A 16 ASP H . 31195 1 84 . 1 . 1 16 16 ASP HA H 1 4.601 0.001 . 1 . . . . A 16 ASP HA . 31195 1 85 . 1 . 1 16 16 ASP HB2 H 1 2.860 0.001 . 2 . . . . A 16 ASP HB2 . 31195 1 86 . 1 . 1 16 16 ASP HB3 H 1 2.529 0.000 . 2 . . . . A 16 ASP HB3 . 31195 1 87 . 1 . 1 17 17 LEU H H 1 7.883 0.001 . 1 . . . . A 17 LEU H . 31195 1 88 . 1 . 1 17 17 LEU HA H 1 4.280 0.000 . 1 . . . . A 17 LEU HA . 31195 1 89 . 1 . 1 17 17 LEU HB2 H 1 2.134 0.000 . 2 . . . . A 17 LEU HB2 . 31195 1 90 . 1 . 1 17 17 LEU HB3 H 1 1.680 0.002 . 2 . . . . A 17 LEU HB3 . 31195 1 91 . 1 . 1 17 17 LEU HG H 1 1.679 0.001 . 1 . . . . A 17 LEU HG . 31195 1 92 . 1 . 1 17 17 LEU HD11 H 1 0.935 0.000 . 2 . . . . A 17 LEU HD11 . 31195 1 93 . 1 . 1 17 17 LEU HD12 H 1 0.935 0.000 . 2 . . . . A 17 LEU HD12 . 31195 1 94 . 1 . 1 17 17 LEU HD13 H 1 0.935 0.000 . 2 . . . . A 17 LEU HD13 . 31195 1 95 . 1 . 1 17 17 LEU HD21 H 1 1.099 0.000 . 2 . . . . A 17 LEU HD21 . 31195 1 96 . 1 . 1 17 17 LEU HD22 H 1 1.099 0.000 . 2 . . . . A 17 LEU HD22 . 31195 1 97 . 1 . 1 17 17 LEU HD23 H 1 1.099 0.000 . 2 . . . . A 17 LEU HD23 . 31195 1 98 . 1 . 1 18 18 ILE H H 1 8.709 0.000 . 1 . . . . A 18 ILE H . 31195 1 99 . 1 . 1 18 18 ILE HA H 1 3.693 0.000 . 1 . . . . A 18 ILE HA . 31195 1 100 . 1 . 1 18 18 ILE HB H 1 1.858 0.001 . 1 . . . . A 18 ILE HB . 31195 1 101 . 1 . 1 18 18 ILE HG12 H 1 1.782 0.002 . 2 . . . . A 18 ILE HG12 . 31195 1 102 . 1 . 1 18 18 ILE HG13 H 1 0.887 0.000 . 2 . . . . A 18 ILE HG13 . 31195 1 103 . 1 . 1 18 18 ILE HG21 H 1 0.954 0.000 . 1 . . . . A 18 ILE HG21 . 31195 1 104 . 1 . 1 18 18 ILE HG22 H 1 0.954 0.000 . 1 . . . . A 18 ILE HG22 . 31195 1 105 . 1 . 1 18 18 ILE HG23 H 1 0.954 0.000 . 1 . . . . A 18 ILE HG23 . 31195 1 106 . 1 . 1 18 18 ILE HD11 H 1 0.829 0.002 . 1 . . . . A 18 ILE HD11 . 31195 1 107 . 1 . 1 18 18 ILE HD12 H 1 0.829 0.002 . 1 . . . . A 18 ILE HD12 . 31195 1 108 . 1 . 1 18 18 ILE HD13 H 1 0.829 0.002 . 1 . . . . A 18 ILE HD13 . 31195 1 109 . 1 . 1 19 19 ARG H H 1 7.589 0.000 . 1 . . . . A 19 ARG H . 31195 1 110 . 1 . 1 19 19 ARG HA H 1 4.183 0.001 . 1 . . . . A 19 ARG HA . 31195 1 111 . 1 . 1 19 19 ARG HB2 H 1 2.027 0.002 . 2 . . . . A 19 ARG HB2 . 31195 1 112 . 1 . 1 19 19 ARG HB3 H 1 2.027 0.002 . 2 . . . . A 19 ARG HB3 . 31195 1 113 . 1 . 1 19 19 ARG HG2 H 1 1.904 0.001 . 2 . . . . A 19 ARG HG2 . 31195 1 114 . 1 . 1 19 19 ARG HG3 H 1 1.735 0.002 . 2 . . . . A 19 ARG HG3 . 31195 1 115 . 1 . 1 19 19 ARG HD2 H 1 3.357 0.001 . 2 . . . . A 19 ARG HD2 . 31195 1 116 . 1 . 1 19 19 ARG HD3 H 1 3.322 0.001 . 2 . . . . A 19 ARG HD3 . 31195 1 117 . 1 . 1 19 19 ARG HE H 1 7.351 0.000 . 1 . . . . A 19 ARG HE . 31195 1 118 . 1 . 1 20 20 PHE H H 1 8.095 0.000 . 1 . . . . A 20 PHE H . 31195 1 119 . 1 . 1 20 20 PHE HA H 1 4.395 0.000 . 1 . . . . A 20 PHE HA . 31195 1 120 . 1 . 1 20 20 PHE HB2 H 1 3.326 0.003 . 2 . . . . A 20 PHE HB2 . 31195 1 121 . 1 . 1 20 20 PHE HB3 H 1 3.326 0.003 . 2 . . . . A 20 PHE HB3 . 31195 1 122 . 1 . 1 20 20 PHE HD1 H 1 7.437 0.000 . 3 . . . . A 20 PHE HD1 . 31195 1 123 . 1 . 1 20 20 PHE HD2 H 1 7.437 0.000 . 3 . . . . A 20 PHE HD2 . 31195 1 124 . 1 . 1 20 20 PHE HE1 H 1 7.383 0.000 . 3 . . . . A 20 PHE HE1 . 31195 1 125 . 1 . 1 20 20 PHE HE2 H 1 7.383 0.000 . 3 . . . . A 20 PHE HE2 . 31195 1 126 . 1 . 1 21 21 TYR H H 1 9.056 0.000 . 1 . . . . A 21 TYR H . 31195 1 127 . 1 . 1 21 21 TYR HA H 1 3.906 0.002 . 1 . . . . A 21 TYR HA . 31195 1 128 . 1 . 1 21 21 TYR HB2 H 1 3.494 0.003 . 2 . . . . A 21 TYR HB2 . 31195 1 129 . 1 . 1 21 21 TYR HB3 H 1 3.110 0.000 . 2 . . . . A 21 TYR HB3 . 31195 1 130 . 1 . 1 21 21 TYR HD1 H 1 6.966 0.000 . 3 . . . . A 21 TYR HD1 . 31195 1 131 . 1 . 1 21 21 TYR HD2 H 1 6.966 0.000 . 3 . . . . A 21 TYR HD2 . 31195 1 132 . 1 . 1 21 21 TYR HE1 H 1 6.505 0.000 . 3 . . . . A 21 TYR HE1 . 31195 1 133 . 1 . 1 21 21 TYR HE2 H 1 6.505 0.000 . 3 . . . . A 21 TYR HE2 . 31195 1 134 . 1 . 1 22 22 ASP H H 1 8.586 0.002 . 1 . . . . A 22 ASP H . 31195 1 135 . 1 . 1 22 22 ASP HA H 1 4.333 0.002 . 1 . . . . A 22 ASP HA . 31195 1 136 . 1 . 1 22 22 ASP HB2 H 1 3.062 0.004 . 2 . . . . A 22 ASP HB2 . 31195 1 137 . 1 . 1 22 22 ASP HB3 H 1 2.920 0.001 . 2 . . . . A 22 ASP HB3 . 31195 1 138 . 1 . 1 23 23 ASN H H 1 8.362 0.001 . 1 . . . . A 23 ASN H . 31195 1 139 . 1 . 1 23 23 ASN HA H 1 4.568 0.002 . 1 . . . . A 23 ASN HA . 31195 1 140 . 1 . 1 23 23 ASN HB2 H 1 2.827 0.001 . 2 . . . . A 23 ASN HB2 . 31195 1 141 . 1 . 1 23 23 ASN HB3 H 1 2.657 0.002 . 2 . . . . A 23 ASN HB3 . 31195 1 142 . 1 . 1 23 23 ASN HD21 H 1 7.029 0.000 . 2 . . . . A 23 ASN HD21 . 31195 1 143 . 1 . 1 23 23 ASN HD22 H 1 7.712 0.000 . 2 . . . . A 23 ASN HD22 . 31195 1 144 . 1 . 1 24 24 LEU H H 1 9.538 0.001 . 1 . . . . A 24 LEU H . 31195 1 145 . 1 . 1 24 24 LEU HA H 1 3.915 0.005 . 1 . . . . A 24 LEU HA . 31195 1 146 . 1 . 1 24 24 LEU HB2 H 1 1.829 0.002 . 2 . . . . A 24 LEU HB2 . 31195 1 147 . 1 . 1 24 24 LEU HB3 H 1 1.386 0.003 . 2 . . . . A 24 LEU HB3 . 31195 1 148 . 1 . 1 24 24 LEU HG H 1 1.633 0.002 . 1 . . . . A 24 LEU HG . 31195 1 149 . 1 . 1 24 24 LEU HD11 H 1 0.864 0.002 . 2 . . . . A 24 LEU HD11 . 31195 1 150 . 1 . 1 24 24 LEU HD12 H 1 0.864 0.002 . 2 . . . . A 24 LEU HD12 . 31195 1 151 . 1 . 1 24 24 LEU HD13 H 1 0.864 0.002 . 2 . . . . A 24 LEU HD13 . 31195 1 152 . 1 . 1 24 24 LEU HD21 H 1 1.137 0.002 . 2 . . . . A 24 LEU HD21 . 31195 1 153 . 1 . 1 24 24 LEU HD22 H 1 1.137 0.002 . 2 . . . . A 24 LEU HD22 . 31195 1 154 . 1 . 1 24 24 LEU HD23 H 1 1.137 0.002 . 2 . . . . A 24 LEU HD23 . 31195 1 155 . 1 . 1 25 25 GLN H H 1 8.567 0.004 . 1 . . . . A 25 GLN H . 31195 1 156 . 1 . 1 25 25 GLN HA H 1 3.363 0.003 . 1 . . . . A 25 GLN HA . 31195 1 157 . 1 . 1 25 25 GLN HB2 H 1 2.095 0.005 . 2 . . . . A 25 GLN HB2 . 31195 1 158 . 1 . 1 25 25 GLN HB3 H 1 2.031 0.000 . 2 . . . . A 25 GLN HB3 . 31195 1 159 . 1 . 1 25 25 GLN HG2 H 1 2.279 0.002 . 2 . . . . A 25 GLN HG2 . 31195 1 160 . 1 . 1 25 25 GLN HG3 H 1 2.279 0.002 . 2 . . . . A 25 GLN HG3 . 31195 1 161 . 1 . 1 25 25 GLN HE21 H 1 6.954 0.000 . 2 . . . . A 25 GLN HE21 . 31195 1 162 . 1 . 1 25 25 GLN HE22 H 1 7.381 0.000 . 2 . . . . A 25 GLN HE22 . 31195 1 163 . 1 . 1 26 26 GLN H H 1 7.362 0.000 . 1 . . . . A 26 GLN H . 31195 1 164 . 1 . 1 26 26 GLN HA H 1 4.061 0.002 . 1 . . . . A 26 GLN HA . 31195 1 165 . 1 . 1 26 26 GLN HB2 H 1 2.206 0.000 . 2 . . . . A 26 GLN HB2 . 31195 1 166 . 1 . 1 26 26 GLN HB3 H 1 2.206 0.000 . 2 . . . . A 26 GLN HB3 . 31195 1 167 . 1 . 1 26 26 GLN HG2 H 1 2.579 0.000 . 2 . . . . A 26 GLN HG2 . 31195 1 168 . 1 . 1 26 26 GLN HG3 H 1 2.499 0.000 . 2 . . . . A 26 GLN HG3 . 31195 1 169 . 1 . 1 26 26 GLN HE21 H 1 6.911 0.000 . 2 . . . . A 26 GLN HE21 . 31195 1 170 . 1 . 1 26 26 GLN HE22 H 1 7.519 0.000 . 2 . . . . A 26 GLN HE22 . 31195 1 171 . 1 . 1 27 27 TYR H H 1 7.945 0.000 . 1 . . . . A 27 TYR H . 31195 1 172 . 1 . 1 27 27 TYR HA H 1 4.236 0.001 . 1 . . . . A 27 TYR HA . 31195 1 173 . 1 . 1 27 27 TYR HB2 H 1 3.238 0.001 . 2 . . . . A 27 TYR HB2 . 31195 1 174 . 1 . 1 27 27 TYR HB3 H 1 3.031 0.000 . 2 . . . . A 27 TYR HB3 . 31195 1 175 . 1 . 1 27 27 TYR HD1 H 1 6.909 0.001 . 3 . . . . A 27 TYR HD1 . 31195 1 176 . 1 . 1 27 27 TYR HD2 H 1 6.909 0.001 . 3 . . . . A 27 TYR HD2 . 31195 1 177 . 1 . 1 27 27 TYR HE1 H 1 6.569 0.000 . 3 . . . . A 27 TYR HE1 . 31195 1 178 . 1 . 1 27 27 TYR HE2 H 1 6.569 0.000 . 3 . . . . A 27 TYR HE2 . 31195 1 179 . 1 . 1 28 28 LEU H H 1 8.852 0.001 . 1 . . . . A 28 LEU H . 31195 1 180 . 1 . 1 28 28 LEU HA H 1 3.740 0.001 . 1 . . . . A 28 LEU HA . 31195 1 181 . 1 . 1 28 28 LEU HB2 H 1 1.558 0.001 . 2 . . . . A 28 LEU HB2 . 31195 1 182 . 1 . 1 28 28 LEU HB3 H 1 0.973 0.000 . 2 . . . . A 28 LEU HB3 . 31195 1 183 . 1 . 1 28 28 LEU HG H 1 1.781 0.002 . 1 . . . . A 28 LEU HG . 31195 1 184 . 1 . 1 28 28 LEU HD11 H 1 0.367 0.003 . 2 . . . . A 28 LEU HD11 . 31195 1 185 . 1 . 1 28 28 LEU HD12 H 1 0.367 0.003 . 2 . . . . A 28 LEU HD12 . 31195 1 186 . 1 . 1 28 28 LEU HD13 H 1 0.367 0.003 . 2 . . . . A 28 LEU HD13 . 31195 1 187 . 1 . 1 28 28 LEU HD21 H 1 0.699 0.001 . 2 . . . . A 28 LEU HD21 . 31195 1 188 . 1 . 1 28 28 LEU HD22 H 1 0.699 0.001 . 2 . . . . A 28 LEU HD22 . 31195 1 189 . 1 . 1 28 28 LEU HD23 H 1 0.699 0.001 . 2 . . . . A 28 LEU HD23 . 31195 1 190 . 1 . 1 29 29 ASN H H 1 8.054 0.000 . 1 . . . . A 29 ASN H . 31195 1 191 . 1 . 1 29 29 ASN HA H 1 4.428 0.001 . 1 . . . . A 29 ASN HA . 31195 1 192 . 1 . 1 29 29 ASN HB2 H 1 2.958 0.001 . 2 . . . . A 29 ASN HB2 . 31195 1 193 . 1 . 1 29 29 ASN HB3 H 1 2.774 0.002 . 2 . . . . A 29 ASN HB3 . 31195 1 194 . 1 . 1 29 29 ASN HD21 H 1 6.958 0.000 . 2 . . . . A 29 ASN HD21 . 31195 1 195 . 1 . 1 29 29 ASN HD22 H 1 7.502 0.000 . 2 . . . . A 29 ASN HD22 . 31195 1 196 . 1 . 1 30 30 VAL H H 1 7.470 0.001 . 1 . . . . A 30 VAL H . 31195 1 197 . 1 . 1 30 30 VAL HA H 1 3.834 0.001 . 1 . . . . A 30 VAL HA . 31195 1 198 . 1 . 1 30 30 VAL HB H 1 2.151 0.000 . 1 . . . . A 30 VAL HB . 31195 1 199 . 1 . 1 30 30 VAL HG11 H 1 0.887 0.000 . 2 . . . . A 30 VAL HG11 . 31195 1 200 . 1 . 1 30 30 VAL HG12 H 1 0.887 0.000 . 2 . . . . A 30 VAL HG12 . 31195 1 201 . 1 . 1 30 30 VAL HG13 H 1 0.887 0.000 . 2 . . . . A 30 VAL HG13 . 31195 1 202 . 1 . 1 30 30 VAL HG21 H 1 1.056 0.001 . 2 . . . . A 30 VAL HG21 . 31195 1 203 . 1 . 1 30 30 VAL HG22 H 1 1.056 0.001 . 2 . . . . A 30 VAL HG22 . 31195 1 204 . 1 . 1 30 30 VAL HG23 H 1 1.056 0.001 . 2 . . . . A 30 VAL HG23 . 31195 1 205 . 1 . 1 31 31 VAL H H 1 7.946 0.001 . 1 . . . . A 31 VAL H . 31195 1 206 . 1 . 1 31 31 VAL HA H 1 3.960 0.001 . 1 . . . . A 31 VAL HA . 31195 1 207 . 1 . 1 31 31 VAL HB H 1 1.937 0.002 . 1 . . . . A 31 VAL HB . 31195 1 208 . 1 . 1 31 31 VAL HG11 H 1 0.574 0.001 . 2 . . . . A 31 VAL HG11 . 31195 1 209 . 1 . 1 31 31 VAL HG12 H 1 0.574 0.001 . 2 . . . . A 31 VAL HG12 . 31195 1 210 . 1 . 1 31 31 VAL HG13 H 1 0.574 0.001 . 2 . . . . A 31 VAL HG13 . 31195 1 211 . 1 . 1 31 31 VAL HG21 H 1 0.661 0.002 . 2 . . . . A 31 VAL HG21 . 31195 1 212 . 1 . 1 31 31 VAL HG22 H 1 0.661 0.002 . 2 . . . . A 31 VAL HG22 . 31195 1 213 . 1 . 1 31 31 VAL HG23 H 1 0.661 0.002 . 2 . . . . A 31 VAL HG23 . 31195 1 214 . 1 . 1 32 32 THR H H 1 7.866 0.001 . 1 . . . . A 32 THR H . 31195 1 215 . 1 . 1 32 32 THR HA H 1 4.378 0.000 . 1 . . . . A 32 THR HA . 31195 1 216 . 1 . 1 32 32 THR HB H 1 4.356 0.000 . 1 . . . . A 32 THR HB . 31195 1 217 . 1 . 1 32 32 THR HG21 H 1 1.213 0.000 . 1 . . . . A 32 THR HG21 . 31195 1 218 . 1 . 1 32 32 THR HG22 H 1 1.213 0.000 . 1 . . . . A 32 THR HG22 . 31195 1 219 . 1 . 1 32 32 THR HG23 H 1 1.213 0.000 . 1 . . . . A 32 THR HG23 . 31195 1 220 . 1 . 1 33 33 ARG H H 1 7.613 0.000 . 1 . . . . A 33 ARG H . 31195 1 221 . 1 . 1 33 33 ARG HA H 1 4.135 0.001 . 1 . . . . A 33 ARG HA . 31195 1 222 . 1 . 1 33 33 ARG HB2 H 1 1.858 0.001 . 2 . . . . A 33 ARG HB2 . 31195 1 223 . 1 . 1 33 33 ARG HB3 H 1 1.858 0.001 . 2 . . . . A 33 ARG HB3 . 31195 1 224 . 1 . 1 33 33 ARG HG2 H 1 1.606 0.000 . 2 . . . . A 33 ARG HG2 . 31195 1 225 . 1 . 1 33 33 ARG HG3 H 1 1.572 0.000 . 2 . . . . A 33 ARG HG3 . 31195 1 226 . 1 . 1 33 33 ARG HD2 H 1 3.174 0.000 . 2 . . . . A 33 ARG HD2 . 31195 1 227 . 1 . 1 33 33 ARG HD3 H 1 3.174 0.000 . 2 . . . . A 33 ARG HD3 . 31195 1 228 . 1 . 1 33 33 ARG HE H 1 7.154 0.000 . 1 . . . . A 33 ARG HE . 31195 1 229 . 1 . 1 34 34 HIS H H 1 8.344 0.000 . 1 . . . . A 34 HIS H . 31195 1 230 . 1 . 1 34 34 HIS HA H 1 4.522 0.001 . 1 . . . . A 34 HIS HA . 31195 1 231 . 1 . 1 34 34 HIS HB2 H 1 3.186 0.000 . 2 . . . . A 34 HIS HB2 . 31195 1 232 . 1 . 1 34 34 HIS HB3 H 1 3.106 0.003 . 2 . . . . A 34 HIS HB3 . 31195 1 233 . 1 . 1 34 34 HIS HD2 H 1 6.961 0.000 . 1 . . . . A 34 HIS HD2 . 31195 1 234 . 1 . 1 34 34 HIS HE1 H 1 8.570 0.000 . 1 . . . . A 34 HIS HE1 . 31195 1 235 . 1 . 1 35 35 ARG H H 1 8.085 0.001 . 1 . . . . A 35 ARG H . 31195 1 236 . 1 . 1 35 35 ARG HA H 1 4.241 0.002 . 1 . . . . A 35 ARG HA . 31195 1 237 . 1 . 1 35 35 ARG HB2 H 1 1.652 0.001 . 2 . . . . A 35 ARG HB2 . 31195 1 238 . 1 . 1 35 35 ARG HB3 H 1 1.652 0.001 . 2 . . . . A 35 ARG HB3 . 31195 1 239 . 1 . 1 35 35 ARG HG2 H 1 1.493 0.000 . 2 . . . . A 35 ARG HG2 . 31195 1 240 . 1 . 1 35 35 ARG HG3 H 1 1.404 0.000 . 2 . . . . A 35 ARG HG3 . 31195 1 241 . 1 . 1 35 35 ARG HD2 H 1 3.116 0.002 . 2 . . . . A 35 ARG HD2 . 31195 1 242 . 1 . 1 35 35 ARG HD3 H 1 3.116 0.002 . 2 . . . . A 35 ARG HD3 . 31195 1 243 . 1 . 1 35 35 ARG HE H 1 7.156 0.000 . 1 . . . . A 35 ARG HE . 31195 1 244 . 1 . 1 36 36 TYR H H 1 8.365 0.000 . 1 . . . . A 36 TYR H . 31195 1 245 . 1 . 1 36 36 TYR HA H 1 4.533 0.001 . 1 . . . . A 36 TYR HA . 31195 1 246 . 1 . 1 36 36 TYR HB2 H 1 3.051 0.001 . 2 . . . . A 36 TYR HB2 . 31195 1 247 . 1 . 1 36 36 TYR HB3 H 1 2.800 0.001 . 2 . . . . A 36 TYR HB3 . 31195 1 248 . 1 . 1 36 36 TYR HD1 H 1 7.102 0.000 . 3 . . . . A 36 TYR HD1 . 31195 1 249 . 1 . 1 36 36 TYR HD2 H 1 7.102 0.000 . 3 . . . . A 36 TYR HD2 . 31195 1 250 . 1 . 1 36 36 TYR HE1 H 1 6.777 0.000 . 3 . . . . A 36 TYR HE1 . 31195 1 251 . 1 . 1 36 36 TYR HE2 H 1 6.777 0.000 . 3 . . . . A 36 TYR HE2 . 31195 1 252 . 1 . 1 37 37 NH2 HN1 H 1 7.577 0.000 . 2 . . . . A 37 NH2 HN1 . 31195 1 253 . 1 . 1 37 37 NH2 HN2 H 1 7.044 0.000 . 2 . . . . A 37 NH2 HN2 . 31195 1 stop_ save_