################################### # 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 18768 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _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-13C HSQC' . . . 18768 1 3 '2D 1H-1H NOESY' . . . 18768 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.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 ASP HA H 1 4.450 0.01 . 1 . . . . A 1 ASP HA . 18768 1 2 . 1 1 1 1 ASP HB2 H 1 3.126 0.01 . 2 . . . . A 1 ASP HB2 . 18768 1 3 . 1 1 1 1 ASP HB3 H 1 3.037 0.01 . 2 . . . . A 1 ASP HB3 . 18768 1 4 . 1 1 1 1 ASP CA C 13 52.932 0.01 . 1 . . . . A 1 ASP CA . 18768 1 5 . 1 1 1 1 ASP CB C 13 38.066 0.01 . 1 . . . . A 1 ASP CB . 18768 1 6 . 1 1 2 2 THR H H 1 8.563 0.01 . 1 . . . . A 2 THR H . 18768 1 7 . 1 1 2 2 THR HA H 1 4.415 0.01 . 1 . . . . A 2 THR HA . 18768 1 8 . 1 1 2 2 THR HB H 1 4.236 0.01 . 1 . . . . A 2 THR HB . 18768 1 9 . 1 1 2 2 THR HG21 H 1 1.269 0.01 . 1 . . . . A 2 THR HG21 . 18768 1 10 . 1 1 2 2 THR HG22 H 1 1.269 0.01 . 1 . . . . A 2 THR HG22 . 18768 1 11 . 1 1 2 2 THR HG23 H 1 1.269 0.01 . 1 . . . . A 2 THR HG23 . 18768 1 12 . 1 1 2 2 THR CA C 13 62.574 0.01 . 1 . . . . A 2 THR CA . 18768 1 13 . 1 1 2 2 THR CB C 13 70.078 0.01 . 1 . . . . A 2 THR CB . 18768 1 14 . 1 1 2 2 THR CG2 C 13 21.498 0.01 . 1 . . . . A 2 THR CG2 . 18768 1 15 . 1 1 3 3 GLU H H 1 8.275 0.01 . 1 . . . . A 3 GLU H . 18768 1 16 . 1 1 3 3 GLU HA H 1 4.482 0.01 . 1 . . . . A 3 GLU HA . 18768 1 17 . 1 1 3 3 GLU HB2 H 1 2.148 0.01 . 2 . . . . A 3 GLU HB2 . 18768 1 18 . 1 1 3 3 GLU HB3 H 1 2.036 0.01 . 2 . . . . A 3 GLU HB3 . 18768 1 19 . 1 1 3 3 GLU HG2 H 1 2.487 0.01 . 1 . . . . A 3 GLU HG2 . 18768 1 20 . 1 1 3 3 GLU HG3 H 1 2.487 0.01 . 1 . . . . A 3 GLU HG3 . 18768 1 21 . 1 1 3 3 GLU CA C 13 56.132 0.01 . 1 . . . . A 3 GLU CA . 18768 1 22 . 1 1 3 3 GLU CB C 13 29.284 0.01 . 1 . . . . A 3 GLU CB . 18768 1 23 . 1 1 3 3 GLU CG C 13 32.808 0.01 . 1 . . . . A 3 GLU CG . 18768 1 24 . 1 1 4 4 ILE H H 1 8.003 0.01 . 1 . . . . A 4 ILE H . 18768 1 25 . 1 1 4 4 ILE HA H 1 4.211 0.01 . 1 . . . . A 4 ILE HA . 18768 1 26 . 1 1 4 4 ILE HB H 1 1.907 0.01 . 1 . . . . A 4 ILE HB . 18768 1 27 . 1 1 4 4 ILE HG12 H 1 1.542 0.01 . 2 . . . . A 4 ILE HG12 . 18768 1 28 . 1 1 4 4 ILE HG13 H 1 1.223 0.01 . 2 . . . . A 4 ILE HG13 . 18768 1 29 . 1 1 4 4 ILE HG21 H 1 0.963 0.01 . 1 . . . . A 4 ILE HG21 . 18768 1 30 . 1 1 4 4 ILE HG22 H 1 0.963 0.01 . 1 . . . . A 4 ILE HG22 . 18768 1 31 . 1 1 4 4 ILE HG23 H 1 0.963 0.01 . 1 . . . . A 4 ILE HG23 . 18768 1 32 . 1 1 4 4 ILE HD11 H 1 0.910 0.01 . 1 . . . . A 4 ILE HD11 . 18768 1 33 . 1 1 4 4 ILE HD12 H 1 0.910 0.01 . 1 . . . . A 4 ILE HD12 . 18768 1 34 . 1 1 4 4 ILE HD13 H 1 0.910 0.01 . 1 . . . . A 4 ILE HD13 . 18768 1 35 . 1 1 4 4 ILE CA C 13 61.753 0.01 . 1 . . . . A 4 ILE CA . 18768 1 36 . 1 1 4 4 ILE CB C 13 39.574 0.01 . 1 . . . . A 4 ILE CB . 18768 1 37 . 1 1 4 4 ILE CG1 C 13 27.606 0.01 . 1 . . . . A 4 ILE CG1 . 18768 1 38 . 1 1 4 4 ILE CG2 C 13 17.294 0.01 . 1 . . . . A 4 ILE CG2 . 18768 1 39 . 1 1 4 4 ILE CD1 C 13 12.565 0.01 . 1 . . . . A 4 ILE CD1 . 18768 1 40 . 1 1 5 5 ILE H H 1 7.810 0.01 . 1 . . . . A 5 ILE H . 18768 1 41 . 1 1 5 5 ILE HA H 1 4.214 0.01 . 1 . . . . A 5 ILE HA . 18768 1 42 . 1 1 5 5 ILE HB H 1 1.929 0.01 . 1 . . . . A 5 ILE HB . 18768 1 43 . 1 1 5 5 ILE HG12 H 1 1.556 0.01 . 2 . . . . A 5 ILE HG12 . 18768 1 44 . 1 1 5 5 ILE HG13 H 1 1.216 0.01 . 2 . . . . A 5 ILE HG13 . 18768 1 45 . 1 1 5 5 ILE HG21 H 1 0.930 0.01 . 1 . . . . A 5 ILE HG21 . 18768 1 46 . 1 1 5 5 ILE HG22 H 1 0.930 0.01 . 1 . . . . A 5 ILE HG22 . 18768 1 47 . 1 1 5 5 ILE HG23 H 1 0.930 0.01 . 1 . . . . A 5 ILE HG23 . 18768 1 48 . 1 1 5 5 ILE HD11 H 1 0.909 0.01 . 1 . . . . A 5 ILE HD11 . 18768 1 49 . 1 1 5 5 ILE HD12 H 1 0.909 0.01 . 1 . . . . A 5 ILE HD12 . 18768 1 50 . 1 1 5 5 ILE HD13 H 1 0.909 0.01 . 1 . . . . A 5 ILE HD13 . 18768 1 51 . 1 1 5 5 ILE CA C 13 61.756 0.01 . 1 . . . . A 5 ILE CA . 18768 1 52 . 1 1 5 5 ILE CB C 13 39.106 0.01 . 1 . . . . A 5 ILE CB . 18768 1 53 . 1 1 5 5 ILE CG1 C 13 27.606 0.01 . 1 . . . . A 5 ILE CG1 . 18768 1 54 . 1 1 5 5 ILE CG2 C 13 17.303 0.01 . 1 . . . . A 5 ILE CG2 . 18768 1 55 . 1 1 5 5 ILE CD1 C 13 12.557 0.01 . 1 . . . . A 5 ILE CD1 . 18768 1 56 . 1 1 6 6 GLY H H 1 8.225 0.01 . 1 . . . . A 6 GLY H . 18768 1 57 . 1 1 6 6 GLY HA2 H 1 4.003 0.01 . 2 . . . . A 6 GLY HA2 . 18768 1 58 . 1 1 6 6 GLY HA3 H 1 3.933 0.01 . 2 . . . . A 6 GLY HA3 . 18768 1 59 . 1 1 6 6 GLY CA C 13 45.693 0.01 . 1 . . . . A 6 GLY CA . 18768 1 60 . 1 1 7 7 GLY H H 1 8.072 0.01 . 1 . . . . A 7 GLY H . 18768 1 61 . 1 1 7 7 GLY HA2 H 1 3.981 0.01 . 1 . . . . A 7 GLY HA2 . 18768 1 62 . 1 1 7 7 GLY HA3 H 1 3.981 0.01 . 1 . . . . A 7 GLY HA3 . 18768 1 63 . 1 1 7 7 GLY CA C 13 45.509 0.01 . 1 . . . . A 7 GLY CA . 18768 1 64 . 1 1 8 8 LEU H H 1 7.830 0.01 . 1 . . . . A 8 LEU H . 18768 1 65 . 1 1 8 8 LEU HA H 1 4.495 0.01 . 1 . . . . A 8 LEU HA . 18768 1 66 . 1 1 8 8 LEU HB2 H 1 1.694 0.01 . 1 . . . . A 8 LEU HB2 . 18768 1 67 . 1 1 8 8 LEU HB3 H 1 1.694 0.01 . 1 . . . . A 8 LEU HB3 . 18768 1 68 . 1 1 8 8 LEU HD11 H 1 0.973 0.01 . 2 . . . . A 8 LEU HD11 . 18768 1 69 . 1 1 8 8 LEU HD12 H 1 0.973 0.01 . 2 . . . . A 8 LEU HD12 . 18768 1 70 . 1 1 8 8 LEU HD13 H 1 0.973 0.01 . 2 . . . . A 8 LEU HD13 . 18768 1 71 . 1 1 8 8 LEU HD21 H 1 0.934 0.01 . 2 . . . . A 8 LEU HD21 . 18768 1 72 . 1 1 8 8 LEU HD22 H 1 0.934 0.01 . 2 . . . . A 8 LEU HD22 . 18768 1 73 . 1 1 8 8 LEU HD23 H 1 0.934 0.01 . 2 . . . . A 8 LEU HD23 . 18768 1 74 . 1 1 8 8 LEU CA C 13 55.551 0.01 . 1 . . . . A 8 LEU CA . 18768 1 75 . 1 1 8 8 LEU CB C 13 43.092 0.01 . 1 . . . . A 8 LEU CB . 18768 1 76 . 1 1 8 8 LEU CD1 C 13 24.607 0.01 . 2 . . . . A 8 LEU CD1 . 18768 1 77 . 1 1 8 8 LEU CD2 C 13 23.401 0.01 . 2 . . . . A 8 LEU CD2 . 18768 1 78 . 1 1 9 9 THR H H 1 7.950 0.01 . 1 . . . . A 9 THR H . 18768 1 79 . 1 1 9 9 THR HA H 1 4.407 0.01 . 1 . . . . A 9 THR HA . 18768 1 80 . 1 1 9 9 THR HB H 1 4.234 0.01 . 1 . . . . A 9 THR HB . 18768 1 81 . 1 1 9 9 THR HG21 H 1 1.211 0.01 . 1 . . . . A 9 THR HG21 . 18768 1 82 . 1 1 9 9 THR HG22 H 1 1.211 0.01 . 1 . . . . A 9 THR HG22 . 18768 1 83 . 1 1 9 9 THR HG23 H 1 1.211 0.01 . 1 . . . . A 9 THR HG23 . 18768 1 84 . 1 1 9 9 THR CA C 13 61.813 0.01 . 1 . . . . A 9 THR CA . 18768 1 85 . 1 1 9 9 THR CB C 13 70.065 0.01 . 1 . . . . A 9 THR CB . 18768 1 86 . 1 1 9 9 THR CG2 C 13 21.260 0.01 . 1 . . . . A 9 THR CG2 . 18768 1 87 . 1 1 10 10 ILE H H 1 7.704 0.01 . 1 . . . . A 10 ILE H . 18768 1 88 . 1 1 10 10 ILE HA H 1 4.604 0.01 . 1 . . . . A 10 ILE HA . 18768 1 89 . 1 1 10 10 ILE HB H 1 1.907 0.01 . 1 . . . . A 10 ILE HB . 18768 1 90 . 1 1 10 10 ILE HG12 H 1 1.568 0.01 . 2 . . . . A 10 ILE HG12 . 18768 1 91 . 1 1 10 10 ILE HG13 H 1 1.203 0.01 . 2 . . . . A 10 ILE HG13 . 18768 1 92 . 1 1 10 10 ILE HG21 H 1 1.007 0.01 . 1 . . . . A 10 ILE HG21 . 18768 1 93 . 1 1 10 10 ILE HG22 H 1 1.007 0.01 . 1 . . . . A 10 ILE HG22 . 18768 1 94 . 1 1 10 10 ILE HG23 H 1 1.007 0.01 . 1 . . . . A 10 ILE HG23 . 18768 1 95 . 1 1 10 10 ILE HD11 H 1 0.893 0.01 . 1 . . . . A 10 ILE HD11 . 18768 1 96 . 1 1 10 10 ILE HD12 H 1 0.893 0.01 . 1 . . . . A 10 ILE HD12 . 18768 1 97 . 1 1 10 10 ILE HD13 H 1 0.893 0.01 . 1 . . . . A 10 ILE HD13 . 18768 1 98 . 1 1 10 10 ILE CA C 13 58.727 0.01 . 1 . . . . A 10 ILE CA . 18768 1 99 . 1 1 10 10 ILE CB C 13 39.166 0.01 . 1 . . . . A 10 ILE CB . 18768 1 100 . 1 1 10 10 ILE CG1 C 13 27.020 0.01 . 1 . . . . A 10 ILE CG1 . 18768 1 101 . 1 1 10 10 ILE CG2 C 13 17.165 0.01 . 1 . . . . A 10 ILE CG2 . 18768 1 102 . 1 1 10 10 ILE CD1 C 13 12.448 0.01 . 1 . . . . A 10 ILE CD1 . 18768 1 103 . 1 1 11 11 PRO HA H 1 4.699 0.01 . 1 . . . . A 11 PRO HA . 18768 1 104 . 1 1 11 11 PRO HB2 H 1 2.494 0.01 . 2 . . . . A 11 PRO HB2 . 18768 1 105 . 1 1 11 11 PRO HB3 H 1 1.933 0.01 . 2 . . . . A 11 PRO HB3 . 18768 1 106 . 1 1 11 11 PRO HG2 H 1 2.157 0.01 . 1 . . . . A 11 PRO HG2 . 18768 1 107 . 1 1 11 11 PRO HG3 H 1 2.157 0.01 . 1 . . . . A 11 PRO HG3 . 18768 1 108 . 1 1 11 11 PRO HD2 H 1 4.089 0.01 . 2 . . . . A 11 PRO HD2 . 18768 1 109 . 1 1 11 11 PRO HD3 H 1 3.611 0.01 . 2 . . . . A 11 PRO HD3 . 18768 1 110 . 1 1 11 11 PRO CA C 13 62.539 0.01 . 1 . . . . A 11 PRO CA . 18768 1 111 . 1 1 11 11 PRO CB C 13 31.419 0.01 . 1 . . . . A 11 PRO CB . 18768 1 112 . 1 1 11 11 PRO CG C 13 27.742 0.01 . 1 . . . . A 11 PRO CG . 18768 1 113 . 1 1 11 11 PRO CD C 13 50.965 0.01 . 1 . . . . A 11 PRO CD . 18768 1 114 . 1 1 12 12 PRO HA H 1 4.397 0.01 . 1 . . . . A 12 PRO HA . 18768 1 115 . 1 1 12 12 PRO HB2 H 1 2.391 0.01 . 2 . . . . A 12 PRO HB2 . 18768 1 116 . 1 1 12 12 PRO HB3 H 1 2.018 0.01 . 2 . . . . A 12 PRO HB3 . 18768 1 117 . 1 1 12 12 PRO HG2 H 1 2.141 0.01 . 1 . . . . A 12 PRO HG2 . 18768 1 118 . 1 1 12 12 PRO HG3 H 1 2.141 0.01 . 1 . . . . A 12 PRO HG3 . 18768 1 119 . 1 1 12 12 PRO HD2 H 1 3.922 0.01 . 2 . . . . A 12 PRO HD2 . 18768 1 120 . 1 1 12 12 PRO HD3 H 1 3.768 0.01 . 2 . . . . A 12 PRO HD3 . 18768 1 121 . 1 1 12 12 PRO CA C 13 65.575 0.01 . 1 . . . . A 12 PRO CA . 18768 1 122 . 1 1 12 12 PRO CB C 13 31.651 0.01 . 1 . . . . A 12 PRO CB . 18768 1 123 . 1 1 12 12 PRO CG C 13 27.734 0.01 . 1 . . . . A 12 PRO CG . 18768 1 124 . 1 1 12 12 PRO CD C 13 50.630 0.01 . 1 . . . . A 12 PRO CD . 18768 1 125 . 1 1 13 13 VAL H H 1 7.170 0.01 . 1 . . . . A 13 VAL H . 18768 1 126 . 1 1 13 13 VAL HA H 1 3.906 0.01 . 1 . . . . A 13 VAL HA . 18768 1 127 . 1 1 13 13 VAL HB H 1 2.142 0.01 . 1 . . . . A 13 VAL HB . 18768 1 128 . 1 1 13 13 VAL HG11 H 1 1.056 0.01 . 2 . . . . A 13 VAL HG11 . 18768 1 129 . 1 1 13 13 VAL HG12 H 1 1.056 0.01 . 2 . . . . A 13 VAL HG12 . 18768 1 130 . 1 1 13 13 VAL HG13 H 1 1.056 0.01 . 2 . . . . A 13 VAL HG13 . 18768 1 131 . 1 1 13 13 VAL HG21 H 1 1.007 0.01 . 2 . . . . A 13 VAL HG21 . 18768 1 132 . 1 1 13 13 VAL HG22 H 1 1.007 0.01 . 2 . . . . A 13 VAL HG22 . 18768 1 133 . 1 1 13 13 VAL HG23 H 1 1.007 0.01 . 2 . . . . A 13 VAL HG23 . 18768 1 134 . 1 1 13 13 VAL CA C 13 65.526 0.01 . 1 . . . . A 13 VAL CA . 18768 1 135 . 1 1 13 13 VAL CB C 13 32.068 0.01 . 1 . . . . A 13 VAL CB . 18768 1 136 . 1 1 13 13 VAL CG1 C 13 22.370 0.01 . 2 . . . . A 13 VAL CG1 . 18768 1 137 . 1 1 13 13 VAL CG2 C 13 20.465 0.01 . 2 . . . . A 13 VAL CG2 . 18768 1 138 . 1 1 14 14 VAL H H 1 7.270 0.01 . 1 . . . . A 14 VAL H . 18768 1 139 . 1 1 14 14 VAL HA H 1 3.666 0.01 . 1 . . . . A 14 VAL HA . 18768 1 140 . 1 1 14 14 VAL HB H 1 2.147 0.01 . 1 . . . . A 14 VAL HB . 18768 1 141 . 1 1 14 14 VAL HG11 H 1 1.063 0.01 . 2 . . . . A 14 VAL HG11 . 18768 1 142 . 1 1 14 14 VAL HG12 H 1 1.063 0.01 . 2 . . . . A 14 VAL HG12 . 18768 1 143 . 1 1 14 14 VAL HG13 H 1 1.063 0.01 . 2 . . . . A 14 VAL HG13 . 18768 1 144 . 1 1 14 14 VAL HG21 H 1 0.982 0.01 . 2 . . . . A 14 VAL HG21 . 18768 1 145 . 1 1 14 14 VAL HG22 H 1 0.982 0.01 . 2 . . . . A 14 VAL HG22 . 18768 1 146 . 1 1 14 14 VAL HG23 H 1 0.982 0.01 . 2 . . . . A 14 VAL HG23 . 18768 1 147 . 1 1 14 14 VAL CA C 13 66.608 0.01 . 1 . . . . A 14 VAL CA . 18768 1 148 . 1 1 14 14 VAL CB C 13 32.094 0.01 . 1 . . . . A 14 VAL CB . 18768 1 149 . 1 1 14 14 VAL CG1 C 13 21.317 0.01 . 2 . . . . A 14 VAL CG1 . 18768 1 150 . 1 1 14 14 VAL CG2 C 13 21.029 0.01 . 2 . . . . A 14 VAL CG2 . 18768 1 151 . 1 1 15 15 ALA H H 1 7.538 0.01 . 1 . . . . A 15 ALA H . 18768 1 152 . 1 1 15 15 ALA HA H 1 4.014 0.01 . 1 . . . . A 15 ALA HA . 18768 1 153 . 1 1 15 15 ALA HB1 H 1 1.499 0.01 . 1 . . . . A 15 ALA HB1 . 18768 1 154 . 1 1 15 15 ALA HB2 H 1 1.499 0.01 . 1 . . . . A 15 ALA HB2 . 18768 1 155 . 1 1 15 15 ALA HB3 H 1 1.499 0.01 . 1 . . . . A 15 ALA HB3 . 18768 1 156 . 1 1 15 15 ALA CA C 13 54.676 0.01 . 1 . . . . A 15 ALA CA . 18768 1 157 . 1 1 15 15 ALA CB C 13 17.857 0.01 . 1 . . . . A 15 ALA CB . 18768 1 158 . 1 1 16 16 LEU H H 1 7.857 0.01 . 1 . . . . A 16 LEU H . 18768 1 159 . 1 1 16 16 LEU HA H 1 4.159 0.01 . 1 . . . . A 16 LEU HA . 18768 1 160 . 1 1 16 16 LEU HB2 H 1 1.937 0.01 . 2 . . . . A 16 LEU HB2 . 18768 1 161 . 1 1 16 16 LEU HB3 H 1 1.747 0.01 . 2 . . . . A 16 LEU HB3 . 18768 1 162 . 1 1 16 16 LEU HG H 1 1.743 0.01 . 1 . . . . A 16 LEU HG . 18768 1 163 . 1 1 16 16 LEU HD11 H 1 0.950 0.01 . 2 . . . . A 16 LEU HD11 . 18768 1 164 . 1 1 16 16 LEU HD12 H 1 0.950 0.01 . 2 . . . . A 16 LEU HD12 . 18768 1 165 . 1 1 16 16 LEU HD13 H 1 0.950 0.01 . 2 . . . . A 16 LEU HD13 . 18768 1 166 . 1 1 16 16 LEU HD21 H 1 0.920 0.01 . 2 . . . . A 16 LEU HD21 . 18768 1 167 . 1 1 16 16 LEU HD22 H 1 0.920 0.01 . 2 . . . . A 16 LEU HD22 . 18768 1 168 . 1 1 16 16 LEU HD23 H 1 0.920 0.01 . 2 . . . . A 16 LEU HD23 . 18768 1 169 . 1 1 16 16 LEU CA C 13 58.556 0.01 . 1 . . . . A 16 LEU CA . 18768 1 170 . 1 1 16 16 LEU CB C 13 42.076 0.01 . 1 . . . . A 16 LEU CB . 18768 1 171 . 1 1 16 16 LEU CG C 13 27.305 0.01 . 1 . . . . A 16 LEU CG . 18768 1 172 . 1 1 16 16 LEU CD1 C 13 24.256 0.01 . 2 . . . . A 16 LEU CD1 . 18768 1 173 . 1 1 16 16 LEU CD2 C 13 23.326 0.01 . 2 . . . . A 16 LEU CD2 . 18768 1 174 . 1 1 17 17 VAL H H 1 8.136 0.01 . 1 . . . . A 17 VAL H . 18768 1 175 . 1 1 17 17 VAL HA H 1 3.629 0.01 . 1 . . . . A 17 VAL HA . 18768 1 176 . 1 1 17 17 VAL HB H 1 2.383 0.01 . 1 . . . . A 17 VAL HB . 18768 1 177 . 1 1 17 17 VAL HG11 H 1 1.130 0.01 . 2 . . . . A 17 VAL HG11 . 18768 1 178 . 1 1 17 17 VAL HG12 H 1 1.130 0.01 . 2 . . . . A 17 VAL HG12 . 18768 1 179 . 1 1 17 17 VAL HG13 H 1 1.130 0.01 . 2 . . . . A 17 VAL HG13 . 18768 1 180 . 1 1 17 17 VAL HG21 H 1 0.969 0.01 . 2 . . . . A 17 VAL HG21 . 18768 1 181 . 1 1 17 17 VAL HG22 H 1 0.969 0.01 . 2 . . . . A 17 VAL HG22 . 18768 1 182 . 1 1 17 17 VAL HG23 H 1 0.969 0.01 . 2 . . . . A 17 VAL HG23 . 18768 1 183 . 1 1 17 17 VAL CA C 13 67.732 0.01 . 1 . . . . A 17 VAL CA . 18768 1 184 . 1 1 17 17 VAL CB C 13 32.060 0.01 . 1 . . . . A 17 VAL CB . 18768 1 185 . 1 1 17 17 VAL CG1 C 13 22.322 0.01 . 2 . . . . A 17 VAL CG1 . 18768 1 186 . 1 1 17 17 VAL CG2 C 13 20.806 0.01 . 2 . . . . A 17 VAL CG2 . 18768 1 187 . 1 1 18 18 VAL H H 1 8.535 0.01 . 1 . . . . A 18 VAL H . 18768 1 188 . 1 1 18 18 VAL HA H 1 3.645 0.01 . 1 . . . . A 18 VAL HA . 18768 1 189 . 1 1 18 18 VAL HB H 1 2.234 0.01 . 1 . . . . A 18 VAL HB . 18768 1 190 . 1 1 18 18 VAL HG11 H 1 1.103 0.01 . 2 . . . . A 18 VAL HG11 . 18768 1 191 . 1 1 18 18 VAL HG12 H 1 1.103 0.01 . 2 . . . . A 18 VAL HG12 . 18768 1 192 . 1 1 18 18 VAL HG13 H 1 1.103 0.01 . 2 . . . . A 18 VAL HG13 . 18768 1 193 . 1 1 18 18 VAL HG21 H 1 0.978 0.01 . 2 . . . . A 18 VAL HG21 . 18768 1 194 . 1 1 18 18 VAL HG22 H 1 0.978 0.01 . 2 . . . . A 18 VAL HG22 . 18768 1 195 . 1 1 18 18 VAL HG23 H 1 0.978 0.01 . 2 . . . . A 18 VAL HG23 . 18768 1 196 . 1 1 18 18 VAL CA C 13 67.868 0.01 . 1 . . . . A 18 VAL CA . 18768 1 197 . 1 1 18 18 VAL CB C 13 32.143 0.01 . 1 . . . . A 18 VAL CB . 18768 1 198 . 1 1 18 18 VAL CG1 C 13 22.475 0.01 . 2 . . . . A 18 VAL CG1 . 18768 1 199 . 1 1 18 18 VAL CG2 C 13 20.768 0.01 . 2 . . . . A 18 VAL CG2 . 18768 1 200 . 1 1 19 19 MET H H 1 8.788 0.01 . 1 . . . . A 19 MET H . 18768 1 201 . 1 1 19 19 MET HA H 1 4.359 0.01 . 1 . . . . A 19 MET HA . 18768 1 202 . 1 1 19 19 MET HB2 H 1 2.347 0.01 . 2 . . . . A 19 MET HB2 . 18768 1 203 . 1 1 19 19 MET HB3 H 1 2.154 0.01 . 2 . . . . A 19 MET HB3 . 18768 1 204 . 1 1 19 19 MET HG2 H 1 2.828 0.01 . 2 . . . . A 19 MET HG2 . 18768 1 205 . 1 1 19 19 MET HG3 H 1 2.635 0.01 . 2 . . . . A 19 MET HG3 . 18768 1 206 . 1 1 19 19 MET HE1 H 1 2.032 0.01 . 1 . . . . A 19 MET HE1 . 18768 1 207 . 1 1 19 19 MET HE2 H 1 2.032 0.01 . 1 . . . . A 19 MET HE2 . 18768 1 208 . 1 1 19 19 MET HE3 H 1 2.032 0.01 . 1 . . . . A 19 MET HE3 . 18768 1 209 . 1 1 19 19 MET CA C 13 59.102 0.01 . 1 . . . . A 19 MET CA . 18768 1 210 . 1 1 19 19 MET CB C 13 32.616 0.01 . 1 . . . . A 19 MET CB . 18768 1 211 . 1 1 19 19 MET CG C 13 32.723 0.01 . 1 . . . . A 19 MET CG . 18768 1 212 . 1 1 19 19 MET CE C 13 16.244 0.01 . 1 . . . . A 19 MET CE . 18768 1 213 . 1 1 20 20 SER H H 1 8.348 0.01 . 1 . . . . A 20 SER H . 18768 1 214 . 1 1 20 20 SER HA H 1 4.359 0.01 . 1 . . . . A 20 SER HA . 18768 1 215 . 1 1 20 20 SER HB2 H 1 4.165 0.01 . 2 . . . . A 20 SER HB2 . 18768 1 216 . 1 1 20 20 SER HB3 H 1 4.079 0.01 . 2 . . . . A 20 SER HB3 . 18768 1 217 . 1 1 20 20 SER CA C 13 62.184 0.01 . 1 . . . . A 20 SER CA . 18768 1 218 . 1 1 20 20 SER CB C 13 63.202 0.01 . 1 . . . . A 20 SER CB . 18768 1 219 . 1 1 21 21 ARG H H 1 8.134 0.01 . 1 . . . . A 21 ARG H . 18768 1 220 . 1 1 21 21 ARG HA H 1 4.277 0.01 . 1 . . . . A 21 ARG HA . 18768 1 221 . 1 1 21 21 ARG HB2 H 1 2.021 0.01 . 2 . . . . A 21 ARG HB2 . 18768 1 222 . 1 1 21 21 ARG HB3 H 1 1.957 0.01 . 2 . . . . A 21 ARG HB3 . 18768 1 223 . 1 1 21 21 ARG HG2 H 1 1.802 0.01 . 2 . . . . A 21 ARG HG2 . 18768 1 224 . 1 1 21 21 ARG HG3 H 1 1.688 0.01 . 2 . . . . A 21 ARG HG3 . 18768 1 225 . 1 1 21 21 ARG HD2 H 1 3.137 0.01 . 1 . . . . A 21 ARG HD2 . 18768 1 226 . 1 1 21 21 ARG HD3 H 1 3.137 0.01 . 1 . . . . A 21 ARG HD3 . 18768 1 227 . 1 1 21 21 ARG HE H 1 7.041 0.01 . 1 . . . . A 21 ARG HE . 18768 1 228 . 1 1 21 21 ARG CA C 13 58.972 0.01 . 1 . . . . A 21 ARG CA . 18768 1 229 . 1 1 21 21 ARG CB C 13 30.267 0.01 . 1 . . . . A 21 ARG CB . 18768 1 230 . 1 1 21 21 ARG CG C 13 27.612 0.01 . 1 . . . . A 21 ARG CG . 18768 1 231 . 1 1 21 21 ARG CD C 13 43.492 0.01 . 1 . . . . A 21 ARG CD . 18768 1 232 . 1 1 22 22 PHE H H 1 8.414 0.01 . 1 . . . . A 22 PHE H . 18768 1 233 . 1 1 22 22 PHE HA H 1 4.560 0.01 . 1 . . . . A 22 PHE HA . 18768 1 234 . 1 1 22 22 PHE HB2 H 1 3.296 0.01 . 1 . . . . A 22 PHE HB2 . 18768 1 235 . 1 1 22 22 PHE HB3 H 1 3.296 0.01 . 1 . . . . A 22 PHE HB3 . 18768 1 236 . 1 1 22 22 PHE HD1 H 1 7.346 0.01 . 1 . . . . A 22 PHE HD1 . 18768 1 237 . 1 1 22 22 PHE HD2 H 1 7.346 0.01 . 1 . . . . A 22 PHE HD2 . 18768 1 238 . 1 1 22 22 PHE CA C 13 61.080 0.01 . 1 . . . . A 22 PHE CA . 18768 1 239 . 1 1 22 22 PHE CB C 13 39.364 0.01 . 1 . . . . A 22 PHE CB . 18768 1 240 . 1 1 23 23 GLY H H 1 8.452 0.01 . 1 . . . . A 23 GLY H . 18768 1 241 . 1 1 23 23 GLY HA2 H 1 4.035 0.01 . 2 . . . . A 23 GLY HA2 . 18768 1 242 . 1 1 23 23 GLY HA3 H 1 3.901 0.01 . 2 . . . . A 23 GLY HA3 . 18768 1 243 . 1 1 23 23 GLY CA C 13 47.190 0.01 . 1 . . . . A 23 GLY CA . 18768 1 244 . 1 1 24 24 PHE H H 1 8.065 0.01 . 1 . . . . A 24 PHE H . 18768 1 245 . 1 1 24 24 PHE HA H 1 4.341 0.01 . 1 . . . . A 24 PHE HA . 18768 1 246 . 1 1 24 24 PHE HB2 H 1 3.199 0.01 . 2 . . . . A 24 PHE HB2 . 18768 1 247 . 1 1 24 24 PHE HB3 H 1 3.110 0.01 . 2 . . . . A 24 PHE HB3 . 18768 1 248 . 1 1 24 24 PHE HD1 H 1 6.912 0.01 . 1 . . . . A 24 PHE HD1 . 18768 1 249 . 1 1 24 24 PHE HD2 H 1 6.912 0.01 . 1 . . . . A 24 PHE HD2 . 18768 1 250 . 1 1 24 24 PHE HE1 H 1 7.216 0.01 . 1 . . . . A 24 PHE HE1 . 18768 1 251 . 1 1 24 24 PHE HE2 H 1 7.216 0.01 . 1 . . . . A 24 PHE HE2 . 18768 1 252 . 1 1 24 24 PHE CA C 13 61.428 0.01 . 1 . . . . A 24 PHE CA . 18768 1 253 . 1 1 24 24 PHE CB C 13 39.448 0.01 . 1 . . . . A 24 PHE CB . 18768 1 254 . 1 1 25 25 PHE H H 1 8.097 0.01 . 1 . . . . A 25 PHE H . 18768 1 255 . 1 1 25 25 PHE HA H 1 4.234 0.01 . 1 . . . . A 25 PHE HA . 18768 1 256 . 1 1 25 25 PHE HB2 H 1 3.241 0.01 . 2 . . . . A 25 PHE HB2 . 18768 1 257 . 1 1 25 25 PHE HB3 H 1 3.139 0.01 . 2 . . . . A 25 PHE HB3 . 18768 1 258 . 1 1 25 25 PHE HD1 H 1 7.341 0.01 . 1 . . . . A 25 PHE HD1 . 18768 1 259 . 1 1 25 25 PHE HD2 H 1 7.341 0.01 . 1 . . . . A 25 PHE HD2 . 18768 1 260 . 1 1 25 25 PHE CA C 13 61.230 0.01 . 1 . . . . A 25 PHE CA . 18768 1 261 . 1 1 25 25 PHE CB C 13 38.920 0.01 . 1 . . . . A 25 PHE CB . 18768 1 262 . 1 1 26 26 ALA H H 1 8.340 0.01 . 1 . . . . A 26 ALA H . 18768 1 263 . 1 1 26 26 ALA HA H 1 4.018 0.01 . 1 . . . . A 26 ALA HA . 18768 1 264 . 1 1 26 26 ALA HB1 H 1 1.303 0.01 . 1 . . . . A 26 ALA HB1 . 18768 1 265 . 1 1 26 26 ALA HB2 H 1 1.303 0.01 . 1 . . . . A 26 ALA HB2 . 18768 1 266 . 1 1 26 26 ALA HB3 H 1 1.303 0.01 . 1 . . . . A 26 ALA HB3 . 18768 1 267 . 1 1 26 26 ALA CA C 13 55.800 0.01 . 1 . . . . A 26 ALA CA . 18768 1 268 . 1 1 26 26 ALA CB C 13 17.992 0.01 . 1 . . . . A 26 ALA CB . 18768 1 269 . 1 1 27 27 HIS H H 1 7.743 0.01 . 1 . . . . A 27 HIS H . 18768 1 270 . 1 1 27 27 HIS HA H 1 4.472 0.01 . 1 . . . . A 27 HIS HA . 18768 1 271 . 1 1 27 27 HIS HB2 H 1 3.346 0.01 . 2 . . . . A 27 HIS HB2 . 18768 1 272 . 1 1 27 27 HIS HB3 H 1 3.242 0.01 . 2 . . . . A 27 HIS HB3 . 18768 1 273 . 1 1 27 27 HIS HD2 H 1 7.346 0.01 . 1 . . . . A 27 HIS HD2 . 18768 1 274 . 1 1 27 27 HIS HE1 H 1 8.416 0.01 . 1 . . . . A 27 HIS HE1 . 18768 1 275 . 1 1 27 27 HIS CA C 13 57.355 0.01 . 1 . . . . A 27 HIS CA . 18768 1 276 . 1 1 27 27 HIS CB C 13 28.320 0.01 . 1 . . . . A 27 HIS CB . 18768 1 277 . 1 1 28 28 LEU H H 1 7.749 0.01 . 1 . . . . A 28 LEU H . 18768 1 278 . 1 1 28 28 LEU HA H 1 4.285 0.01 . 1 . . . . A 28 LEU HA . 18768 1 279 . 1 1 28 28 LEU HB2 H 1 1.683 0.01 . 2 . . . . A 28 LEU HB2 . 18768 1 280 . 1 1 28 28 LEU HB3 H 1 1.577 0.01 . 2 . . . . A 28 LEU HB3 . 18768 1 281 . 1 1 28 28 LEU HG H 1 1.534 0.01 . 1 . . . . A 28 LEU HG . 18768 1 282 . 1 1 28 28 LEU HD11 H 1 0.839 0.01 . 2 . . . . A 28 LEU HD11 . 18768 1 283 . 1 1 28 28 LEU HD12 H 1 0.839 0.01 . 2 . . . . A 28 LEU HD12 . 18768 1 284 . 1 1 28 28 LEU HD13 H 1 0.839 0.01 . 2 . . . . A 28 LEU HD13 . 18768 1 285 . 1 1 28 28 LEU HD21 H 1 0.790 0.01 . 2 . . . . A 28 LEU HD21 . 18768 1 286 . 1 1 28 28 LEU HD22 H 1 0.790 0.01 . 2 . . . . A 28 LEU HD22 . 18768 1 287 . 1 1 28 28 LEU HD23 H 1 0.790 0.01 . 2 . . . . A 28 LEU HD23 . 18768 1 288 . 1 1 28 28 LEU CA C 13 55.890 0.01 . 1 . . . . A 28 LEU CA . 18768 1 289 . 1 1 28 28 LEU CB C 13 43.092 0.01 . 1 . . . . A 28 LEU CB . 18768 1 290 . 1 1 28 28 LEU CG C 13 27.016 0.01 . 1 . . . . A 28 LEU CG . 18768 1 291 . 1 1 28 28 LEU CD1 C 13 24.821 0.01 . 2 . . . . A 28 LEU CD1 . 18768 1 292 . 1 1 28 28 LEU CD2 C 13 22.885 0.01 . 2 . . . . A 28 LEU CD2 . 18768 1 293 . 1 1 29 29 LEU H H 1 7.406 0.01 . 1 . . . . A 29 LEU H . 18768 1 294 . 1 1 29 29 LEU HA H 1 4.513 0.01 . 1 . . . . A 29 LEU HA . 18768 1 295 . 1 1 29 29 LEU HB2 H 1 1.697 0.01 . 2 . . . . A 29 LEU HB2 . 18768 1 296 . 1 1 29 29 LEU HB3 H 1 1.520 0.01 . 2 . . . . A 29 LEU HB3 . 18768 1 297 . 1 1 29 29 LEU HG H 1 1.759 0.01 . 1 . . . . A 29 LEU HG . 18768 1 298 . 1 1 29 29 LEU HD11 H 1 0.939 0.01 . 2 . . . . A 29 LEU HD11 . 18768 1 299 . 1 1 29 29 LEU HD12 H 1 0.939 0.01 . 2 . . . . A 29 LEU HD12 . 18768 1 300 . 1 1 29 29 LEU HD13 H 1 0.939 0.01 . 2 . . . . A 29 LEU HD13 . 18768 1 301 . 1 1 29 29 LEU HD21 H 1 0.907 0.01 . 2 . . . . A 29 LEU HD21 . 18768 1 302 . 1 1 29 29 LEU HD22 H 1 0.907 0.01 . 2 . . . . A 29 LEU HD22 . 18768 1 303 . 1 1 29 29 LEU HD23 H 1 0.907 0.01 . 2 . . . . A 29 LEU HD23 . 18768 1 304 . 1 1 29 29 LEU CA C 13 54.236 0.01 . 1 . . . . A 29 LEU CA . 18768 1 305 . 1 1 29 29 LEU CB C 13 41.844 0.01 . 1 . . . . A 29 LEU CB . 18768 1 306 . 1 1 29 29 LEU CG C 13 27.349 0.01 . 1 . . . . A 29 LEU CG . 18768 1 307 . 1 1 29 29 LEU CD1 C 13 24.970 0.01 . 2 . . . . A 29 LEU CD1 . 18768 1 308 . 1 1 29 29 LEU CD2 C 13 22.819 0.01 . 2 . . . . A 29 LEU CD2 . 18768 1 309 . 1 1 30 30 PRO HA H 1 4.447 0.01 . 1 . . . . A 30 PRO HA . 18768 1 310 . 1 1 30 30 PRO HB2 H 1 2.296 0.01 . 2 . . . . A 30 PRO HB2 . 18768 1 311 . 1 1 30 30 PRO HB3 H 1 1.942 0.01 . 2 . . . . A 30 PRO HB3 . 18768 1 312 . 1 1 30 30 PRO HG2 H 1 2.082 0.01 . 2 . . . . A 30 PRO HG2 . 18768 1 313 . 1 1 30 30 PRO HG3 H 1 2.040 0.01 . 2 . . . . A 30 PRO HG3 . 18768 1 314 . 1 1 30 30 PRO HD2 H 1 3.842 0.01 . 2 . . . . A 30 PRO HD2 . 18768 1 315 . 1 1 30 30 PRO HD3 H 1 3.584 0.01 . 2 . . . . A 30 PRO HD3 . 18768 1 316 . 1 1 30 30 PRO CA C 13 63.810 0.01 . 1 . . . . A 30 PRO CA . 18768 1 317 . 1 1 30 30 PRO CB C 13 31.840 0.01 . 1 . . . . A 30 PRO CB . 18768 1 318 . 1 1 30 30 PRO CG C 13 27.571 0.01 . 1 . . . . A 30 PRO CG . 18768 1 319 . 1 1 30 30 PRO CD C 13 50.692 0.01 . 1 . . . . A 30 PRO CD . 18768 1 320 . 1 1 31 31 ARG H H 1 7.969 0.01 . 1 . . . . A 31 ARG H . 18768 1 321 . 1 1 31 31 ARG HA H 1 4.348 0.01 . 1 . . . . A 31 ARG HA . 18768 1 322 . 1 1 31 31 ARG HB2 H 1 1.927 0.01 . 2 . . . . A 31 ARG HB2 . 18768 1 323 . 1 1 31 31 ARG HB3 H 1 1.813 0.01 . 2 . . . . A 31 ARG HB3 . 18768 1 324 . 1 1 31 31 ARG HG2 H 1 1.688 0.01 . 1 . . . . A 31 ARG HG2 . 18768 1 325 . 1 1 31 31 ARG HG3 H 1 1.688 0.01 . 1 . . . . A 31 ARG HG3 . 18768 1 326 . 1 1 31 31 ARG HD2 H 1 3.232 0.01 . 1 . . . . A 31 ARG HD2 . 18768 1 327 . 1 1 31 31 ARG HD3 H 1 3.232 0.01 . 1 . . . . A 31 ARG HD3 . 18768 1 328 . 1 1 31 31 ARG HE H 1 7.203 0.01 . 1 . . . . A 31 ARG HE . 18768 1 329 . 1 1 31 31 ARG CA C 13 55.787 0.01 . 1 . . . . A 31 ARG CA . 18768 1 330 . 1 1 31 31 ARG CB C 13 31.380 0.01 . 1 . . . . A 31 ARG CB . 18768 1 331 . 1 1 31 31 ARG CG C 13 27.357 0.01 . 1 . . . . A 31 ARG CG . 18768 1 332 . 1 1 31 31 ARG CD C 13 43.492 0.01 . 1 . . . . A 31 ARG CD . 18768 1 stop_ save_