################################### # 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 18655 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18655 1 2 '2D 1H-1H TOCSY' . . . 18655 1 3 '2D 1H-1H NOESY' . . . 18655 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HB2 H 1 1.832 0.002 . 2 . . . A 1 LYS HB2 . 18655 1 2 . 1 1 1 1 LYS HB3 H 1 1.832 0.002 . 2 . . . A 1 LYS HB3 . 18655 1 3 . 1 1 1 1 LYS HG2 H 1 1.287 0.000 . 2 . . . A 1 LYS HG2 . 18655 1 4 . 1 1 1 1 LYS HG3 H 1 1.287 0.000 . 2 . . . A 1 LYS HG3 . 18655 1 5 . 1 1 1 1 LYS HD2 H 1 1.684 0.000 . 2 . . . A 1 LYS HD2 . 18655 1 6 . 1 1 1 1 LYS HD3 H 1 1.684 0.000 . 2 . . . A 1 LYS HD3 . 18655 1 7 . 1 1 1 1 LYS HE2 H 1 2.974 0.003 . 2 . . . A 1 LYS HE2 . 18655 1 8 . 1 1 1 1 LYS HE3 H 1 2.974 0.003 . 2 . . . A 1 LYS HE3 . 18655 1 9 . 1 1 2 2 LYS HA H 1 4.300 0.003 . 1 . . . A 2 LYS HA . 18655 1 10 . 1 1 2 2 LYS HB2 H 1 1.745 0.004 . 2 . . . A 2 LYS HB2 . 18655 1 11 . 1 1 2 2 LYS HB3 H 1 1.745 0.004 . 2 . . . A 2 LYS HB3 . 18655 1 12 . 1 1 2 2 LYS HG2 H 1 1.398 0.006 . 2 . . . A 2 LYS HG2 . 18655 1 13 . 1 1 2 2 LYS HG3 H 1 1.398 0.006 . 2 . . . A 2 LYS HG3 . 18655 1 14 . 1 1 2 2 LYS HD2 H 1 1.682 0.002 . 2 . . . A 2 LYS HD2 . 18655 1 15 . 1 1 2 2 LYS HD3 H 1 1.682 0.002 . 2 . . . A 2 LYS HD3 . 18655 1 16 . 1 1 2 2 LYS HE2 H 1 2.977 0.001 . 2 . . . A 2 LYS HE2 . 18655 1 17 . 1 1 2 2 LYS HE3 H 1 2.977 0.001 . 2 . . . A 2 LYS HE3 . 18655 1 18 . 1 1 3 3 HIS H H 1 8.759 0.003 . 1 . . . A 3 HIS H . 18655 1 19 . 1 1 3 3 HIS HA H 1 4.999 0.002 . 1 . . . A 3 HIS HA . 18655 1 20 . 1 1 3 3 HIS HB2 H 1 3.153 0.005 . 2 . . . A 3 HIS HB2 . 18655 1 21 . 1 1 3 3 HIS HB3 H 1 3.041 0.003 . 2 . . . A 3 HIS HB3 . 18655 1 22 . 1 1 3 3 HIS HD1 H 1 11.126 0.003 . 1 . . . A 3 HIS HD1 . 18655 1 23 . 1 1 3 3 HIS HD2 H 1 7.319 0.002 . 1 . . . A 3 HIS HD2 . 18655 1 24 . 1 1 3 3 HIS HE1 H 1 7.401 0.004 . 1 . . . A 3 HIS HE1 . 18655 1 25 . 1 1 4 4 THR H H 1 8.240 0.003 . 1 . . . A 4 THR H . 18655 1 26 . 1 1 4 4 THR HA H 1 4.578 0.002 . 1 . . . A 4 THR HA . 18655 1 27 . 1 1 4 4 THR HG21 H 1 1.331 0.002 . 1 . . . A 4 THR HG21 . 18655 1 28 . 1 1 4 4 THR HG22 H 1 1.331 0.002 . 1 . . . A 4 THR HG22 . 18655 1 29 . 1 1 4 4 THR HG23 H 1 1.331 0.002 . 1 . . . A 4 THR HG23 . 18655 1 30 . 1 1 5 5 ILE H H 1 8.947 0.003 . 1 . . . A 5 ILE H . 18655 1 31 . 1 1 5 5 ILE HA H 1 3.866 0.002 . 1 . . . A 5 ILE HA . 18655 1 32 . 1 1 5 5 ILE HB H 1 1.806 0.004 . 1 . . . A 5 ILE HB . 18655 1 33 . 1 1 5 5 ILE HG12 H 1 1.300 0.006 . 2 . . . A 5 ILE HG12 . 18655 1 34 . 1 1 5 5 ILE HG13 H 1 1.084 0.005 . 2 . . . A 5 ILE HG13 . 18655 1 35 . 1 1 5 5 ILE HG21 H 1 0.798 0.003 . 1 . . . A 5 ILE HG21 . 18655 1 36 . 1 1 5 5 ILE HG22 H 1 0.798 0.003 . 1 . . . A 5 ILE HG22 . 18655 1 37 . 1 1 5 5 ILE HG23 H 1 0.798 0.003 . 1 . . . A 5 ILE HG23 . 18655 1 38 . 1 1 5 5 ILE HD11 H 1 0.518 0.001 . 1 . . . A 5 ILE HD11 . 18655 1 39 . 1 1 5 5 ILE HD12 H 1 0.518 0.001 . 1 . . . A 5 ILE HD12 . 18655 1 40 . 1 1 5 5 ILE HD13 H 1 0.518 0.001 . 1 . . . A 5 ILE HD13 . 18655 1 41 . 1 1 6 6 TRP H H 1 7.389 0.004 . 1 . . . A 6 TRP H . 18655 1 42 . 1 1 6 6 TRP HA H 1 4.383 0.002 . 1 . . . A 6 TRP HA . 18655 1 43 . 1 1 6 6 TRP HB2 H 1 3.320 0.005 . 2 . . . A 6 TRP HB2 . 18655 1 44 . 1 1 6 6 TRP HB3 H 1 3.259 0.003 . 2 . . . A 6 TRP HB3 . 18655 1 45 . 1 1 6 6 TRP HD1 H 1 7.403 0.003 . 1 . . . A 6 TRP HD1 . 18655 1 46 . 1 1 6 6 TRP HE1 H 1 10.631 0.003 . 1 . . . A 6 TRP HE1 . 18655 1 47 . 1 1 6 6 TRP HE3 H 1 7.457 0.003 . 1 . . . A 6 TRP HE3 . 18655 1 48 . 1 1 6 6 TRP HZ2 H 1 7.512 0.003 . 1 . . . A 6 TRP HZ2 . 18655 1 49 . 1 1 6 6 TRP HZ3 H 1 6.919 0.003 . 1 . . . A 6 TRP HZ3 . 18655 1 50 . 1 1 6 6 TRP HH2 H 1 7.092 0.003 . 1 . . . A 6 TRP HH2 . 18655 1 51 . 1 1 7 7 GLU H H 1 7.642 0.002 . 1 . . . A 7 GLU H . 18655 1 52 . 1 1 7 7 GLU HA H 1 3.898 0.003 . 1 . . . A 7 GLU HA . 18655 1 53 . 1 1 7 7 GLU HB2 H 1 2.240 0.004 . 2 . . . A 7 GLU HB2 . 18655 1 54 . 1 1 7 7 GLU HB3 H 1 2.075 0.004 . 2 . . . A 7 GLU HB3 . 18655 1 55 . 1 1 7 7 GLU HG2 H 1 2.480 0.003 . 2 . . . A 7 GLU HG2 . 18655 1 56 . 1 1 7 7 GLU HG3 H 1 2.431 0.005 . 2 . . . A 7 GLU HG3 . 18655 1 57 . 1 1 8 8 VAL H H 1 7.560 0.003 . 1 . . . A 8 VAL H . 18655 1 58 . 1 1 8 8 VAL HA H 1 3.549 0.002 . 1 . . . A 8 VAL HA . 18655 1 59 . 1 1 8 8 VAL HB H 1 2.261 0.003 . 1 . . . A 8 VAL HB . 18655 1 60 . 1 1 8 8 VAL HG11 H 1 1.009 0.002 . 2 . . . A 8 VAL HG11 . 18655 1 61 . 1 1 8 8 VAL HG12 H 1 1.009 0.002 . 2 . . . A 8 VAL HG12 . 18655 1 62 . 1 1 8 8 VAL HG13 H 1 1.009 0.002 . 2 . . . A 8 VAL HG13 . 18655 1 63 . 1 1 8 8 VAL HG21 H 1 0.883 0.004 . 2 . . . A 8 VAL HG21 . 18655 1 64 . 1 1 8 8 VAL HG22 H 1 0.883 0.004 . 2 . . . A 8 VAL HG22 . 18655 1 65 . 1 1 8 8 VAL HG23 H 1 0.883 0.004 . 2 . . . A 8 VAL HG23 . 18655 1 66 . 1 1 9 9 ILE H H 1 8.276 0.004 . 1 . . . A 9 ILE H . 18655 1 67 . 1 1 9 9 ILE HA H 1 3.553 0.005 . 1 . . . A 9 ILE HA . 18655 1 68 . 1 1 9 9 ILE HB H 1 1.949 0.002 . 1 . . . A 9 ILE HB . 18655 1 69 . 1 1 9 9 ILE HG12 H 1 1.004 0.004 . 2 . . . A 9 ILE HG12 . 18655 1 70 . 1 1 9 9 ILE HG13 H 1 1.004 0.004 . 2 . . . A 9 ILE HG13 . 18655 1 71 . 1 1 9 9 ILE HG21 H 1 0.903 0.003 . 1 . . . A 9 ILE HG21 . 18655 1 72 . 1 1 9 9 ILE HG22 H 1 0.903 0.003 . 1 . . . A 9 ILE HG22 . 18655 1 73 . 1 1 9 9 ILE HG23 H 1 0.903 0.003 . 1 . . . A 9 ILE HG23 . 18655 1 74 . 1 1 9 9 ILE HD11 H 1 0.571 0.003 . 1 . . . A 9 ILE HD11 . 18655 1 75 . 1 1 9 9 ILE HD12 H 1 0.571 0.003 . 1 . . . A 9 ILE HD12 . 18655 1 76 . 1 1 9 9 ILE HD13 H 1 0.571 0.003 . 1 . . . A 9 ILE HD13 . 18655 1 77 . 1 1 10 10 ALA H H 1 8.386 0.003 . 1 . . . A 10 ALA H . 18655 1 78 . 1 1 10 10 ALA HA H 1 3.905 0.002 . 1 . . . A 10 ALA HA . 18655 1 79 . 1 1 10 10 ALA HB1 H 1 1.471 0.004 . 1 . . . A 10 ALA HB1 . 18655 1 80 . 1 1 10 10 ALA HB2 H 1 1.471 0.004 . 1 . . . A 10 ALA HB2 . 18655 1 81 . 1 1 10 10 ALA HB3 H 1 1.471 0.004 . 1 . . . A 10 ALA HB3 . 18655 1 82 . 1 1 10 10 ALA N N 15 120.595 0.000 . 1 . . . A 10 ALA N . 18655 1 83 . 1 1 11 11 GLY H H 1 8.272 0.005 . 1 . . . A 11 GLY H . 18655 1 84 . 1 1 11 11 GLY HA2 H 1 3.644 0.005 . 2 . . . A 11 GLY HA2 . 18655 1 85 . 1 1 11 11 GLY HA3 H 1 3.644 0.005 . 2 . . . A 11 GLY HA3 . 18655 1 86 . 1 1 12 12 LEU H H 1 8.401 0.003 . 1 . . . A 12 LEU H . 18655 1 87 . 1 1 12 12 LEU HA H 1 4.050 0.003 . 1 . . . A 12 LEU HA . 18655 1 88 . 1 1 12 12 LEU HB2 H 1 1.817 0.003 . 2 . . . A 12 LEU HB2 . 18655 1 89 . 1 1 12 12 LEU HB3 H 1 1.656 0.004 . 2 . . . A 12 LEU HB3 . 18655 1 90 . 1 1 12 12 LEU HG H 1 1.754 0.002 . 1 . . . A 12 LEU HG . 18655 1 91 . 1 1 12 12 LEU HD11 H 1 0.822 0.003 . 2 . . . A 12 LEU HD11 . 18655 1 92 . 1 1 12 12 LEU HD12 H 1 0.822 0.003 . 2 . . . A 12 LEU HD12 . 18655 1 93 . 1 1 12 12 LEU HD13 H 1 0.822 0.003 . 2 . . . A 12 LEU HD13 . 18655 1 94 . 1 1 12 12 LEU HD21 H 1 0.793 0.004 . 2 . . . A 12 LEU HD21 . 18655 1 95 . 1 1 12 12 LEU HD22 H 1 0.793 0.004 . 2 . . . A 12 LEU HD22 . 18655 1 96 . 1 1 12 12 LEU HD23 H 1 0.793 0.004 . 2 . . . A 12 LEU HD23 . 18655 1 97 . 1 1 12 12 LEU N N 15 121.657 0.000 . 1 . . . A 12 LEU N . 18655 1 98 . 1 1 13 13 VAL H H 1 8.590 0.003 . 1 . . . A 13 VAL H . 18655 1 99 . 1 1 13 13 VAL HA H 1 3.474 0.003 . 1 . . . A 13 VAL HA . 18655 1 100 . 1 1 13 13 VAL HB H 1 2.194 0.005 . 1 . . . A 13 VAL HB . 18655 1 101 . 1 1 13 13 VAL HG11 H 1 1.000 0.002 . 2 . . . A 13 VAL HG11 . 18655 1 102 . 1 1 13 13 VAL HG12 H 1 1.000 0.002 . 2 . . . A 13 VAL HG12 . 18655 1 103 . 1 1 13 13 VAL HG13 H 1 1.000 0.002 . 2 . . . A 13 VAL HG13 . 18655 1 104 . 1 1 13 13 VAL HG21 H 1 0.833 0.002 . 2 . . . A 13 VAL HG21 . 18655 1 105 . 1 1 13 13 VAL HG22 H 1 0.833 0.002 . 2 . . . A 13 VAL HG22 . 18655 1 106 . 1 1 13 13 VAL HG23 H 1 0.833 0.002 . 2 . . . A 13 VAL HG23 . 18655 1 107 . 1 1 14 14 ALA H H 1 8.524 0.003 . 1 . . . A 14 ALA H . 18655 1 108 . 1 1 14 14 ALA HA H 1 3.863 0.003 . 1 . . . A 14 ALA HA . 18655 1 109 . 1 1 14 14 ALA HB1 H 1 1.432 0.002 . 1 . . . A 14 ALA HB1 . 18655 1 110 . 1 1 14 14 ALA HB2 H 1 1.432 0.002 . 1 . . . A 14 ALA HB2 . 18655 1 111 . 1 1 14 14 ALA HB3 H 1 1.432 0.002 . 1 . . . A 14 ALA HB3 . 18655 1 112 . 1 1 14 14 ALA N N 15 124.024 0.000 . 1 . . . A 14 ALA N . 18655 1 113 . 1 1 15 15 LEU H H 1 8.309 0.003 . 1 . . . A 15 LEU H . 18655 1 114 . 1 1 15 15 LEU HA H 1 4.017 0.003 . 1 . . . A 15 LEU HA . 18655 1 115 . 1 1 15 15 LEU HB2 H 1 1.902 0.003 . 2 . . . A 15 LEU HB2 . 18655 1 116 . 1 1 15 15 LEU HB3 H 1 1.902 0.003 . 2 . . . A 15 LEU HB3 . 18655 1 117 . 1 1 15 15 LEU HG H 1 1.672 0.003 . 1 . . . A 15 LEU HG . 18655 1 118 . 1 1 15 15 LEU HD11 H 1 0.886 0.003 . 2 . . . A 15 LEU HD11 . 18655 1 119 . 1 1 15 15 LEU HD12 H 1 0.886 0.003 . 2 . . . A 15 LEU HD12 . 18655 1 120 . 1 1 15 15 LEU HD13 H 1 0.886 0.003 . 2 . . . A 15 LEU HD13 . 18655 1 121 . 1 1 15 15 LEU HD21 H 1 0.830 0.003 . 2 . . . A 15 LEU HD21 . 18655 1 122 . 1 1 15 15 LEU HD22 H 1 0.830 0.003 . 2 . . . A 15 LEU HD22 . 18655 1 123 . 1 1 15 15 LEU HD23 H 1 0.830 0.003 . 2 . . . A 15 LEU HD23 . 18655 1 124 . 1 1 16 16 LEU H H 1 8.523 0.002 . 1 . . . A 16 LEU H . 18655 1 125 . 1 1 16 16 LEU HA H 1 3.964 0.005 . 1 . . . A 16 LEU HA . 18655 1 126 . 1 1 16 16 LEU HB2 H 1 1.894 0.005 . 2 . . . A 16 LEU HB2 . 18655 1 127 . 1 1 16 16 LEU HB3 H 1 1.894 0.005 . 2 . . . A 16 LEU HB3 . 18655 1 128 . 1 1 16 16 LEU HG H 1 1.429 0.004 . 1 . . . A 16 LEU HG . 18655 1 129 . 1 1 16 16 LEU HD11 H 1 0.777 0.003 . 2 . . . A 16 LEU HD11 . 18655 1 130 . 1 1 16 16 LEU HD12 H 1 0.777 0.003 . 2 . . . A 16 LEU HD12 . 18655 1 131 . 1 1 16 16 LEU HD13 H 1 0.777 0.003 . 2 . . . A 16 LEU HD13 . 18655 1 132 . 1 1 16 16 LEU HD21 H 1 0.777 0.003 . 2 . . . A 16 LEU HD21 . 18655 1 133 . 1 1 16 16 LEU HD22 H 1 0.777 0.003 . 2 . . . A 16 LEU HD22 . 18655 1 134 . 1 1 16 16 LEU HD23 H 1 0.777 0.003 . 2 . . . A 16 LEU HD23 . 18655 1 135 . 1 1 16 16 LEU N N 15 117.442 0.000 . 1 . . . A 16 LEU N . 18655 1 136 . 1 1 17 17 THR H H 1 8.194 0.004 . 1 . . . A 17 THR H . 18655 1 137 . 1 1 17 17 THR HA H 1 3.690 0.003 . 1 . . . A 17 THR HA . 18655 1 138 . 1 1 17 17 THR HB H 1 4.172 0.004 . 1 . . . A 17 THR HB . 18655 1 139 . 1 1 17 17 THR HG21 H 1 0.995 0.002 . 1 . . . A 17 THR HG21 . 18655 1 140 . 1 1 17 17 THR HG22 H 1 0.995 0.002 . 1 . . . A 17 THR HG22 . 18655 1 141 . 1 1 17 17 THR HG23 H 1 0.995 0.002 . 1 . . . A 17 THR HG23 . 18655 1 142 . 1 1 18 18 PHE H H 1 8.372 0.003 . 1 . . . A 18 PHE H . 18655 1 143 . 1 1 18 18 PHE HA H 1 4.254 0.004 . 1 . . . A 18 PHE HA . 18655 1 144 . 1 1 18 18 PHE HB2 H 1 3.232 0.002 . 2 . . . A 18 PHE HB2 . 18655 1 145 . 1 1 18 18 PHE HB3 H 1 3.208 0.003 . 2 . . . A 18 PHE HB3 . 18655 1 146 . 1 1 18 18 PHE HD1 H 1 7.106 0.004 . 3 . . . A 18 PHE HD1 . 18655 1 147 . 1 1 18 18 PHE HD2 H 1 7.106 0.004 . 3 . . . A 18 PHE HD2 . 18655 1 148 . 1 1 18 18 PHE HE1 H 1 7.042 0.003 . 3 . . . A 18 PHE HE1 . 18655 1 149 . 1 1 18 18 PHE HE2 H 1 7.042 0.003 . 3 . . . A 18 PHE HE2 . 18655 1 150 . 1 1 18 18 PHE HZ H 1 6.987 0.002 . 1 . . . A 18 PHE HZ . 18655 1 151 . 1 1 18 18 PHE N N 15 121.022 0.000 . 1 . . . A 18 PHE N . 18655 1 152 . 1 1 19 19 LEU H H 1 8.521 0.002 . 1 . . . A 19 LEU H . 18655 1 153 . 1 1 19 19 LEU HA H 1 3.968 0.004 . 1 . . . A 19 LEU HA . 18655 1 154 . 1 1 19 19 LEU HB2 H 1 2.053 0.005 . 2 . . . A 19 LEU HB2 . 18655 1 155 . 1 1 19 19 LEU HB3 H 1 2.017 0.003 . 2 . . . A 19 LEU HB3 . 18655 1 156 . 1 1 19 19 LEU HG H 1 1.410 0.006 . 1 . . . A 19 LEU HG . 18655 1 157 . 1 1 19 19 LEU HD11 H 1 0.838 0.003 . 2 . . . A 19 LEU HD11 . 18655 1 158 . 1 1 19 19 LEU HD12 H 1 0.838 0.003 . 2 . . . A 19 LEU HD12 . 18655 1 159 . 1 1 19 19 LEU HD13 H 1 0.838 0.003 . 2 . . . A 19 LEU HD13 . 18655 1 160 . 1 1 19 19 LEU HD21 H 1 0.838 0.003 . 2 . . . A 19 LEU HD21 . 18655 1 161 . 1 1 19 19 LEU HD22 H 1 0.838 0.003 . 2 . . . A 19 LEU HD22 . 18655 1 162 . 1 1 19 19 LEU HD23 H 1 0.838 0.003 . 2 . . . A 19 LEU HD23 . 18655 1 163 . 1 1 20 20 ALA H H 1 8.517 0.003 . 1 . . . A 20 ALA H . 18655 1 164 . 1 1 20 20 ALA HA H 1 4.053 0.003 . 1 . . . A 20 ALA HA . 18655 1 165 . 1 1 20 20 ALA HB1 H 1 1.484 0.003 . 1 . . . A 20 ALA HB1 . 18655 1 166 . 1 1 20 20 ALA HB2 H 1 1.484 0.003 . 1 . . . A 20 ALA HB2 . 18655 1 167 . 1 1 20 20 ALA HB3 H 1 1.484 0.003 . 1 . . . A 20 ALA HB3 . 18655 1 168 . 1 1 20 20 ALA N N 15 121.004 0.000 . 1 . . . A 20 ALA N . 18655 1 169 . 1 1 21 21 PHE H H 1 8.659 0.004 . 1 . . . A 21 PHE H . 18655 1 170 . 1 1 21 21 PHE HA H 1 4.428 0.003 . 1 . . . A 21 PHE HA . 18655 1 171 . 1 1 21 21 PHE HB2 H 1 3.204 0.002 . 2 . . . A 21 PHE HB2 . 18655 1 172 . 1 1 21 21 PHE HB3 H 1 3.204 0.002 . 2 . . . A 21 PHE HB3 . 18655 1 173 . 1 1 21 21 PHE HD1 H 1 7.142 0.002 . 3 . . . A 21 PHE HD1 . 18655 1 174 . 1 1 21 21 PHE HD2 H 1 7.142 0.002 . 3 . . . A 21 PHE HD2 . 18655 1 175 . 1 1 21 21 PHE HE1 H 1 7.115 0.002 . 3 . . . A 21 PHE HE1 . 18655 1 176 . 1 1 21 21 PHE HE2 H 1 7.115 0.002 . 3 . . . A 21 PHE HE2 . 18655 1 177 . 1 1 21 21 PHE HZ H 1 7.300 0.002 . 1 . . . A 21 PHE HZ . 18655 1 178 . 1 1 22 22 GLY H H 1 8.887 0.002 . 1 . . . A 22 GLY H . 18655 1 179 . 1 1 22 22 GLY HA2 H 1 3.538 0.004 . 2 . . . A 22 GLY HA2 . 18655 1 180 . 1 1 22 22 GLY HA3 H 1 3.538 0.004 . 2 . . . A 22 GLY HA3 . 18655 1 181 . 1 1 22 22 GLY N N 15 107.120 0.000 . 1 . . . A 22 GLY N . 18655 1 182 . 1 1 23 23 PHE H H 1 8.733 0.002 . 1 . . . A 23 PHE H . 18655 1 183 . 1 1 23 23 PHE HA H 1 4.256 0.003 . 1 . . . A 23 PHE HA . 18655 1 184 . 1 1 23 23 PHE HB2 H 1 3.283 0.003 . 2 . . . A 23 PHE HB2 . 18655 1 185 . 1 1 23 23 PHE HB3 H 1 3.183 0.003 . 2 . . . A 23 PHE HB3 . 18655 1 186 . 1 1 23 23 PHE HD1 H 1 7.120 0.005 . 3 . . . A 23 PHE HD1 . 18655 1 187 . 1 1 23 23 PHE HD2 H 1 7.120 0.005 . 3 . . . A 23 PHE HD2 . 18655 1 188 . 1 1 23 23 PHE HE1 H 1 7.236 0.003 . 3 . . . A 23 PHE HE1 . 18655 1 189 . 1 1 23 23 PHE HE2 H 1 7.236 0.003 . 3 . . . A 23 PHE HE2 . 18655 1 190 . 1 1 23 23 PHE HZ H 1 7.316 0.003 . 1 . . . A 23 PHE HZ . 18655 1 191 . 1 1 24 24 TRP H H 1 8.592 0.003 . 1 . . . A 24 TRP H . 18655 1 192 . 1 1 24 24 TRP HA H 1 3.985 0.003 . 1 . . . A 24 TRP HA . 18655 1 193 . 1 1 24 24 TRP HB2 H 1 3.592 0.002 . 2 . . . A 24 TRP HB2 . 18655 1 194 . 1 1 24 24 TRP HB3 H 1 3.296 0.005 . 2 . . . A 24 TRP HB3 . 18655 1 195 . 1 1 24 24 TRP HD1 H 1 7.143 0.006 . 1 . . . A 24 TRP HD1 . 18655 1 196 . 1 1 24 24 TRP HE1 H 1 10.342 0.003 . 1 . . . A 24 TRP HE1 . 18655 1 197 . 1 1 24 24 TRP HE3 H 1 7.301 0.004 . 1 . . . A 24 TRP HE3 . 18655 1 198 . 1 1 24 24 TRP HZ2 H 1 7.158 0.003 . 1 . . . A 24 TRP HZ2 . 18655 1 199 . 1 1 24 24 TRP HZ3 H 1 6.717 0.004 . 1 . . . A 24 TRP HZ3 . 18655 1 200 . 1 1 24 24 TRP HH2 H 1 6.640 0.003 . 1 . . . A 24 TRP HH2 . 18655 1 201 . 1 1 25 25 LEU H H 1 8.925 0.003 . 1 . . . A 25 LEU H . 18655 1 202 . 1 1 25 25 LEU HA H 1 3.635 0.003 . 1 . . . A 25 LEU HA . 18655 1 203 . 1 1 25 25 LEU HB2 H 1 1.666 0.004 . 2 . . . A 25 LEU HB2 . 18655 1 204 . 1 1 25 25 LEU HB3 H 1 1.471 0.006 . 2 . . . A 25 LEU HB3 . 18655 1 205 . 1 1 25 25 LEU HG H 1 1.577 0.005 . 1 . . . A 25 LEU HG . 18655 1 206 . 1 1 25 25 LEU HD11 H 1 0.851 0.004 . 2 . . . A 25 LEU HD11 . 18655 1 207 . 1 1 25 25 LEU HD12 H 1 0.851 0.004 . 2 . . . A 25 LEU HD12 . 18655 1 208 . 1 1 25 25 LEU HD13 H 1 0.851 0.004 . 2 . . . A 25 LEU HD13 . 18655 1 209 . 1 1 25 25 LEU HD21 H 1 0.851 0.004 . 2 . . . A 25 LEU HD21 . 18655 1 210 . 1 1 25 25 LEU HD22 H 1 0.851 0.004 . 2 . . . A 25 LEU HD22 . 18655 1 211 . 1 1 25 25 LEU HD23 H 1 0.851 0.004 . 2 . . . A 25 LEU HD23 . 18655 1 212 . 1 1 26 26 PHE H H 1 8.458 0.003 . 1 . . . A 26 PHE H . 18655 1 213 . 1 1 26 26 PHE HA H 1 3.990 0.002 . 1 . . . A 26 PHE HA . 18655 1 214 . 1 1 26 26 PHE HB2 H 1 3.233 0.003 . 2 . . . A 26 PHE HB2 . 18655 1 215 . 1 1 26 26 PHE HB3 H 1 3.113 0.003 . 2 . . . A 26 PHE HB3 . 18655 1 216 . 1 1 26 26 PHE HD1 H 1 7.022 0.003 . 3 . . . A 26 PHE HD1 . 18655 1 217 . 1 1 26 26 PHE HD2 H 1 7.022 0.003 . 3 . . . A 26 PHE HD2 . 18655 1 218 . 1 1 26 26 PHE HE1 H 1 7.243 0.002 . 3 . . . A 26 PHE HE1 . 18655 1 219 . 1 1 26 26 PHE HE2 H 1 7.243 0.002 . 3 . . . A 26 PHE HE2 . 18655 1 220 . 1 1 26 26 PHE HZ H 1 7.118 0.005 . 1 . . . A 26 PHE HZ . 18655 1 221 . 1 1 27 27 LYS H H 1 7.788 0.003 . 1 . . . A 27 LYS H . 18655 1 222 . 1 1 27 27 LYS HA H 1 3.669 0.003 . 1 . . . A 27 LYS HA . 18655 1 223 . 1 1 27 27 LYS HB2 H 1 1.695 0.005 . 2 . . . A 27 LYS HB2 . 18655 1 224 . 1 1 27 27 LYS HB3 H 1 1.534 0.006 . 2 . . . A 27 LYS HB3 . 18655 1 225 . 1 1 27 27 LYS HG2 H 1 1.124 0.002 . 2 . . . A 27 LYS HG2 . 18655 1 226 . 1 1 27 27 LYS HG3 H 1 1.124 0.002 . 2 . . . A 27 LYS HG3 . 18655 1 227 . 1 1 27 27 LYS HD2 H 1 1.478 0.002 . 2 . . . A 27 LYS HD2 . 18655 1 228 . 1 1 27 27 LYS HD3 H 1 1.431 0.003 . 2 . . . A 27 LYS HD3 . 18655 1 229 . 1 1 27 27 LYS HE2 H 1 2.846 0.003 . 2 . . . A 27 LYS HE2 . 18655 1 230 . 1 1 27 27 LYS HE3 H 1 2.717 0.003 . 2 . . . A 27 LYS HE3 . 18655 1 231 . 1 1 27 27 LYS HZ1 H 1 7.241 0.002 . 1 . . . A 27 LYS HZ1 . 18655 1 232 . 1 1 27 27 LYS HZ2 H 1 7.241 0.002 . 1 . . . A 27 LYS HZ2 . 18655 1 233 . 1 1 27 27 LYS HZ3 H 1 7.241 0.002 . 1 . . . A 27 LYS HZ3 . 18655 1 234 . 1 1 28 28 TYR H H 1 8.303 0.003 . 1 . . . A 28 TYR H . 18655 1 235 . 1 1 28 28 TYR HA H 1 3.901 0.002 . 1 . . . A 28 TYR HA . 18655 1 236 . 1 1 28 28 TYR HB2 H 1 2.670 0.003 . 2 . . . A 28 TYR HB2 . 18655 1 237 . 1 1 28 28 TYR HB3 H 1 2.269 0.004 . 2 . . . A 28 TYR HB3 . 18655 1 238 . 1 1 28 28 TYR HD1 H 1 6.831 0.003 . 3 . . . A 28 TYR HD1 . 18655 1 239 . 1 1 28 28 TYR HD2 H 1 6.831 0.003 . 3 . . . A 28 TYR HD2 . 18655 1 240 . 1 1 28 28 TYR HE1 H 1 6.764 0.002 . 3 . . . A 28 TYR HE1 . 18655 1 241 . 1 1 28 28 TYR HE2 H 1 6.764 0.002 . 3 . . . A 28 TYR HE2 . 18655 1 242 . 1 1 29 29 LEU H H 1 8.039 0.003 . 1 . . . A 29 LEU H . 18655 1 243 . 1 1 29 29 LEU HA H 1 3.869 0.006 . 1 . . . A 29 LEU HA . 18655 1 244 . 1 1 29 29 LEU HB2 H 1 1.907 0.002 . 2 . . . A 29 LEU HB2 . 18655 1 245 . 1 1 29 29 LEU HB3 H 1 1.688 0.005 . 2 . . . A 29 LEU HB3 . 18655 1 246 . 1 1 29 29 LEU HG H 1 1.414 0.001 . 1 . . . A 29 LEU HG . 18655 1 247 . 1 1 29 29 LEU HD11 H 1 0.855 0.003 . 2 . . . A 29 LEU HD11 . 18655 1 248 . 1 1 29 29 LEU HD12 H 1 0.855 0.003 . 2 . . . A 29 LEU HD12 . 18655 1 249 . 1 1 29 29 LEU HD13 H 1 0.855 0.003 . 2 . . . A 29 LEU HD13 . 18655 1 250 . 1 1 29 29 LEU HD21 H 1 0.855 0.003 . 2 . . . A 29 LEU HD21 . 18655 1 251 . 1 1 29 29 LEU HD22 H 1 0.855 0.003 . 2 . . . A 29 LEU HD22 . 18655 1 252 . 1 1 29 29 LEU HD23 H 1 0.855 0.003 . 2 . . . A 29 LEU HD23 . 18655 1 253 . 1 1 29 29 LEU N N 15 116.640 0.000 . 1 . . . A 29 LEU N . 18655 1 254 . 1 1 30 30 GLN H H 1 7.346 0.004 . 1 . . . A 30 GLN H . 18655 1 255 . 1 1 30 30 GLN HA H 1 3.993 0.002 . 1 . . . A 30 GLN HA . 18655 1 256 . 1 1 30 30 GLN HB2 H 1 1.913 0.003 . 2 . . . A 30 GLN HB2 . 18655 1 257 . 1 1 30 30 GLN HB3 H 1 1.759 0.002 . 2 . . . A 30 GLN HB3 . 18655 1 258 . 1 1 30 30 GLN HG2 H 1 2.107 0.006 . 2 . . . A 30 GLN HG2 . 18655 1 259 . 1 1 30 30 GLN HG3 H 1 2.082 0.004 . 2 . . . A 30 GLN HG3 . 18655 1 260 . 1 1 30 30 GLN HE21 H 1 6.873 0.003 . 2 . . . A 30 GLN HE21 . 18655 1 261 . 1 1 30 30 GLN HE22 H 1 6.659 0.002 . 2 . . . A 30 GLN HE22 . 18655 1 262 . 1 1 31 31 LYS H H 1 7.559 0.003 . 1 . . . A 31 LYS H . 18655 1 263 . 1 1 31 31 LYS HA H 1 4.129 0.002 . 1 . . . A 31 LYS HA . 18655 1 264 . 1 1 31 31 LYS HB2 H 1 1.753 0.004 . 2 . . . A 31 LYS HB2 . 18655 1 265 . 1 1 31 31 LYS HB3 H 1 1.680 0.005 . 2 . . . A 31 LYS HB3 . 18655 1 266 . 1 1 31 31 LYS HG2 H 1 1.399 0.006 . 2 . . . A 31 LYS HG2 . 18655 1 267 . 1 1 31 31 LYS HG3 H 1 1.337 0.005 . 2 . . . A 31 LYS HG3 . 18655 1 268 . 1 1 31 31 LYS HD2 H 1 1.584 0.005 . 2 . . . A 31 LYS HD2 . 18655 1 269 . 1 1 31 31 LYS HD3 H 1 1.584 0.005 . 2 . . . A 31 LYS HD3 . 18655 1 270 . 1 1 31 31 LYS HE2 H 1 2.911 0.003 . 2 . . . A 31 LYS HE2 . 18655 1 271 . 1 1 31 31 LYS HE3 H 1 2.911 0.003 . 2 . . . A 31 LYS HE3 . 18655 1 272 . 1 1 31 31 LYS HZ1 H 1 6.832 0.004 . 1 . . . A 31 LYS HZ1 . 18655 1 273 . 1 1 31 31 LYS HZ2 H 1 6.832 0.004 . 1 . . . A 31 LYS HZ2 . 18655 1 274 . 1 1 31 31 LYS HZ3 H 1 6.832 0.004 . 1 . . . A 31 LYS HZ3 . 18655 1 275 . 1 1 32 32 LYS H H 1 7.686 0.003 . 1 . . . A 32 LYS H . 18655 1 276 . 1 1 32 32 LYS HA H 1 4.059 0.002 . 1 . . . A 32 LYS HA . 18655 1 277 . 1 1 32 32 LYS HB2 H 1 1.743 0.006 . 2 . . . A 32 LYS HB2 . 18655 1 278 . 1 1 32 32 LYS HB3 H 1 1.613 0.004 . 2 . . . A 32 LYS HB3 . 18655 1 279 . 1 1 32 32 LYS HG2 H 1 1.321 0.004 . 2 . . . A 32 LYS HG2 . 18655 1 280 . 1 1 32 32 LYS HG3 H 1 1.321 0.004 . 2 . . . A 32 LYS HG3 . 18655 1 281 . 1 1 32 32 LYS HD2 H 1 1.588 0.004 . 2 . . . A 32 LYS HD2 . 18655 1 282 . 1 1 32 32 LYS HD3 H 1 1.588 0.004 . 2 . . . A 32 LYS HD3 . 18655 1 283 . 1 1 32 32 LYS HE2 H 1 2.913 0.004 . 2 . . . A 32 LYS HE2 . 18655 1 284 . 1 1 32 32 LYS HE3 H 1 2.913 0.004 . 2 . . . A 32 LYS HE3 . 18655 1 285 . 1 1 32 32 LYS HZ1 H 1 6.761 0.000 . 1 . . . A 32 LYS HZ1 . 18655 1 286 . 1 1 32 32 LYS HZ2 H 1 6.761 0.000 . 1 . . . A 32 LYS HZ2 . 18655 1 287 . 1 1 32 32 LYS HZ3 H 1 6.761 0.000 . 1 . . . A 32 LYS HZ3 . 18655 1 stop_ save_