################################### # 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_chemical_shift_ch_A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_ch_A _Assigned_chem_shift_list.Entry_ID 6499 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 NOESY' 1 $sample_1 . 6499 1 2 '2D TOCSY' 1 $sample_1 . 6499 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 GLU HA H 1 4.80 . . 1 . . . . . . . . . 6499 1 2 . 1 1 1 1 GLU HB2 H 1 3.24 . . 2 . . . . . . . . . 6499 1 3 . 1 1 1 1 GLU HB3 H 1 3.20 . . 2 . . . . . . . . . 6499 1 4 . 1 1 1 1 GLU HG2 H 1 3.15 . . 2 . . . . . . . . . 6499 1 5 . 1 1 1 1 GLU HG3 H 1 3.05 . . 2 . . . . . . . . . 6499 1 6 . 1 1 2 2 ASN H H 1 7.42 . . 1 . . . . . . . . . 6499 1 7 . 1 1 2 2 ASN HA H 1 4.83 . . 1 . . . . . . . . . 6499 1 8 . 1 1 2 2 ASN HB2 H 1 2.89 . . 2 . . . . . . . . . 6499 1 9 . 1 1 2 2 ASN HB3 H 1 2.80 . . 2 . . . . . . . . . 6499 1 10 . 1 1 2 2 ASN HD21 H 1 7.69 . . 2 . . . . . . . . . 6499 1 11 . 1 1 2 2 ASN HD22 H 1 7.01 . . 2 . . . . . . . . . 6499 1 12 . 1 1 3 3 ARG H H 1 8.62 . . 1 . . . . . . . . . 6499 1 13 . 1 1 3 3 ARG HA H 1 4.43 . . 1 . . . . . . . . . 6499 1 14 . 1 1 3 3 ARG HB2 H 1 1.92 . . 2 . . . . . . . . . 6499 1 15 . 1 1 3 3 ARG HB3 H 1 1.76 . . 2 . . . . . . . . . 6499 1 16 . 1 1 3 3 ARG HG2 H 1 1.68 . . 2 . . . . . . . . . 6499 1 17 . 1 1 3 3 ARG HG3 H 1 1.66 . . 2 . . . . . . . . . 6499 1 18 . 1 1 3 3 ARG HD2 H 1 3.24 . . 2 . . . . . . . . . 6499 1 19 . 1 1 3 3 ARG HD3 H 1 3.22 . . 2 . . . . . . . . . 6499 1 20 . 1 1 3 3 ARG HE H 1 7.32 . . 1 . . . . . . . . . 6499 1 21 . 1 1 3 3 ARG HH11 H 1 7.18 . . 1 . . . . . . . . . 6499 1 22 . 1 1 3 3 ARG HH12 H 1 7.18 . . 1 . . . . . . . . . 6499 1 23 . 1 1 3 3 ARG HH21 H 1 6.73 . . 1 . . . . . . . . . 6499 1 24 . 1 1 3 3 ARG HH22 H 1 6.73 . . 1 . . . . . . . . . 6499 1 25 . 1 1 4 4 GLU H H 1 8.51 . . 1 . . . . . . . . . 6499 1 26 . 1 1 4 4 GLU HA H 1 4.35 . . 1 . . . . . . . . . 6499 1 27 . 1 1 4 4 GLU HB2 H 1 2.08 . . 2 . . . . . . . . . 6499 1 28 . 1 1 4 4 GLU HB3 H 1 1.99 . . 2 . . . . . . . . . 6499 1 29 . 1 1 4 4 GLU HG2 H 1 2.34 . . 2 . . . . . . . . . 6499 1 30 . 1 1 4 4 GLU HG3 H 1 2.30 . . 2 . . . . . . . . . 6499 1 31 . 1 1 5 5 VAL H H 1 8.23 . . 1 . . . . . . . . . 6499 1 32 . 1 1 5 5 VAL HA H 1 4.58 . . 1 . . . . . . . . . 6499 1 33 . 1 1 5 5 VAL HB H 1 2.11 . . 1 . . . . . . . . . 6499 1 34 . 1 1 5 5 VAL HG11 H 1 1.04 . . 2 . . . . . . . . . 6499 1 35 . 1 1 5 5 VAL HG12 H 1 1.04 . . 2 . . . . . . . . . 6499 1 36 . 1 1 5 5 VAL HG13 H 1 1.04 . . 2 . . . . . . . . . 6499 1 37 . 1 1 5 5 VAL HG21 H 1 0.95 . . 2 . . . . . . . . . 6499 1 38 . 1 1 5 5 VAL HG22 H 1 0.95 . . 2 . . . . . . . . . 6499 1 39 . 1 1 5 5 VAL HG23 H 1 0.95 . . 2 . . . . . . . . . 6499 1 40 . 1 1 6 6 PRO HA H 1 4.90 . . 1 . . . . . . . . . 6499 1 41 . 1 1 6 6 PRO HB2 H 1 2.69 . . 2 . . . . . . . . . 6499 1 42 . 1 1 6 6 PRO HB3 H 1 2.28 . . 2 . . . . . . . . . 6499 1 43 . 1 1 6 6 PRO HG2 H 1 2.13 . . 1 . . . . . . . . . 6499 1 44 . 1 1 6 6 PRO HG3 H 1 2.13 . . 1 . . . . . . . . . 6499 1 45 . 1 1 6 6 PRO HD2 H 1 4.15 . . 2 . . . . . . . . . 6499 1 46 . 1 1 6 6 PRO HD3 H 1 3.51 . . 2 . . . . . . . . . 6499 1 47 . 1 1 7 7 PRO HA H 1 4.47 . . 1 . . . . . . . . . 6499 1 48 . 1 1 7 7 PRO HB2 H 1 2.46 . . 2 . . . . . . . . . 6499 1 49 . 1 1 7 7 PRO HB3 H 1 2.24 . . 2 . . . . . . . . . 6499 1 50 . 1 1 7 7 PRO HG2 H 1 2.22 . . 2 . . . . . . . . . 6499 1 51 . 1 1 7 7 PRO HG3 H 1 2.20 . . 2 . . . . . . . . . 6499 1 52 . 1 1 7 7 PRO HD2 H 1 4.03 . . 2 . . . . . . . . . 6499 1 53 . 1 1 7 7 PRO HD3 H 1 3.91 . . 2 . . . . . . . . . 6499 1 54 . 1 1 8 8 GLY H H 1 8.99 . . 1 . . . . . . . . . 6499 1 55 . 1 1 8 8 GLY HA2 H 1 3.68 . . 2 . . . . . . . . . 6499 1 56 . 1 1 8 8 GLY HA3 H 1 3.39 . . 2 . . . . . . . . . 6499 1 57 . 1 1 9 9 PHE H H 1 7.80 . . 1 . . . . . . . . . 6499 1 58 . 1 1 9 9 PHE HA H 1 4.25 . . 1 . . . . . . . . . 6499 1 59 . 1 1 9 9 PHE HB2 H 1 3.42 . . 2 . . . . . . . . . 6499 1 60 . 1 1 9 9 PHE HB3 H 1 3.30 . . 2 . . . . . . . . . 6499 1 61 . 1 1 9 9 PHE HD1 H 1 7.43 . . 1 . . . . . . . . . 6499 1 62 . 1 1 9 9 PHE HD2 H 1 7.43 . . 1 . . . . . . . . . 6499 1 63 . 1 1 9 9 PHE HE1 H 1 7.22 . . 1 . . . . . . . . . 6499 1 64 . 1 1 9 9 PHE HE2 H 1 7.22 . . 1 . . . . . . . . . 6499 1 65 . 1 1 9 9 PHE HZ H 1 6.97 . . 1 . . . . . . . . . 6499 1 66 . 1 1 10 10 THR H H 1 7.94 . . 1 . . . . . . . . . 6499 1 67 . 1 1 10 10 THR HA H 1 3.84 . . 1 . . . . . . . . . 6499 1 68 . 1 1 10 10 THR HB H 1 4.27 . . 1 . . . . . . . . . 6499 1 69 . 1 1 10 10 THR HG21 H 1 1.29 . . 1 . . . . . . . . . 6499 1 70 . 1 1 10 10 THR HG22 H 1 1.29 . . 1 . . . . . . . . . 6499 1 71 . 1 1 10 10 THR HG23 H 1 1.29 . . 1 . . . . . . . . . 6499 1 72 . 1 1 11 11 ALA H H 1 8.04 . . 1 . . . . . . . . . 6499 1 73 . 1 1 11 11 ALA HA H 1 4.10 . . 1 . . . . . . . . . 6499 1 74 . 1 1 11 11 ALA HB1 H 1 1.44 . . 1 . . . . . . . . . 6499 1 75 . 1 1 11 11 ALA HB2 H 1 1.44 . . 1 . . . . . . . . . 6499 1 76 . 1 1 11 11 ALA HB3 H 1 1.44 . . 1 . . . . . . . . . 6499 1 77 . 1 1 12 12 LEU H H 1 7.66 . . 1 . . . . . . . . . 6499 1 78 . 1 1 12 12 LEU HA H 1 4.00 . . 1 . . . . . . . . . 6499 1 79 . 1 1 12 12 LEU HB2 H 1 2.22 . . 2 . . . . . . . . . 6499 1 80 . 1 1 12 12 LEU HB3 H 1 1.68 . . 2 . . . . . . . . . 6499 1 81 . 1 1 12 12 LEU HG H 1 1.47 . . 1 . . . . . . . . . 6499 1 82 . 1 1 12 12 LEU HD11 H 1 1.07 . . 2 . . . . . . . . . 6499 1 83 . 1 1 12 12 LEU HD12 H 1 1.07 . . 2 . . . . . . . . . 6499 1 84 . 1 1 12 12 LEU HD13 H 1 1.07 . . 2 . . . . . . . . . 6499 1 85 . 1 1 12 12 LEU HD21 H 1 0.88 . . 2 . . . . . . . . . 6499 1 86 . 1 1 12 12 LEU HD22 H 1 0.88 . . 2 . . . . . . . . . 6499 1 87 . 1 1 12 12 LEU HD23 H 1 0.88 . . 2 . . . . . . . . . 6499 1 88 . 1 1 13 13 ILE H H 1 8.16 . . 1 . . . . . . . . . 6499 1 89 . 1 1 13 13 ILE HA H 1 3.30 . . 1 . . . . . . . . . 6499 1 90 . 1 1 13 13 ILE HB H 1 1.98 . . 1 . . . . . . . . . 6499 1 91 . 1 1 13 13 ILE HG12 H 1 1.60 . . 2 . . . . . . . . . 6499 1 92 . 1 1 13 13 ILE HG13 H 1 0.81 . . 2 . . . . . . . . . 6499 1 93 . 1 1 13 13 ILE HG21 H 1 0.75 . . 1 . . . . . . . . . 6499 1 94 . 1 1 13 13 ILE HG22 H 1 0.75 . . 1 . . . . . . . . . 6499 1 95 . 1 1 13 13 ILE HG23 H 1 0.75 . . 1 . . . . . . . . . 6499 1 96 . 1 1 13 13 ILE HD11 H 1 0.40 . . 1 . . . . . . . . . 6499 1 97 . 1 1 13 13 ILE HD12 H 1 0.40 . . 1 . . . . . . . . . 6499 1 98 . 1 1 13 13 ILE HD13 H 1 0.40 . . 1 . . . . . . . . . 6499 1 99 . 1 1 14 14 LYS H H 1 7.84 . . 1 . . . . . . . . . 6499 1 100 . 1 1 14 14 LYS HA H 1 3.96 . . 1 . . . . . . . . . 6499 1 101 . 1 1 14 14 LYS HB2 H 1 1.97 . . 2 . . . . . . . . . 6499 1 102 . 1 1 14 14 LYS HB3 H 1 1.70 . . 2 . . . . . . . . . 6499 1 103 . 1 1 14 14 LYS HG2 H 1 1.44 . . 2 . . . . . . . . . 6499 1 104 . 1 1 14 14 LYS HG3 H 1 1.40 . . 2 . . . . . . . . . 6499 1 105 . 1 1 14 14 LYS HD2 H 1 1.44 . . 2 . . . . . . . . . 6499 1 106 . 1 1 14 14 LYS HD3 H 1 1.40 . . 2 . . . . . . . . . 6499 1 107 . 1 1 14 14 LYS HE2 H 1 2.97 . . 1 . . . . . . . . . 6499 1 108 . 1 1 14 14 LYS HE3 H 1 2.97 . . 1 . . . . . . . . . 6499 1 109 . 1 1 14 14 LYS HZ1 H 1 7.35 . . 1 . . . . . . . . . 6499 1 110 . 1 1 14 14 LYS HZ2 H 1 7.35 . . 1 . . . . . . . . . 6499 1 111 . 1 1 14 14 LYS HZ3 H 1 7.35 . . 1 . . . . . . . . . 6499 1 112 . 1 1 15 15 THR H H 1 8.18 . . 1 . . . . . . . . . 6499 1 113 . 1 1 15 15 THR HA H 1 3.88 . . 1 . . . . . . . . . 6499 1 114 . 1 1 15 15 THR HB H 1 4.19 . . 1 . . . . . . . . . 6499 1 115 . 1 1 15 15 THR HG21 H 1 1.14 . . 1 . . . . . . . . . 6499 1 116 . 1 1 15 15 THR HG22 H 1 1.14 . . 1 . . . . . . . . . 6499 1 117 . 1 1 15 15 THR HG23 H 1 1.14 . . 1 . . . . . . . . . 6499 1 118 . 1 1 16 16 LEU H H 1 8.91 . . 1 . . . . . . . . . 6499 1 119 . 1 1 16 16 LEU HA H 1 3.78 . . 1 . . . . . . . . . 6499 1 120 . 1 1 16 16 LEU HB2 H 1 2.04 . . 2 . . . . . . . . . 6499 1 121 . 1 1 16 16 LEU HB3 H 1 1.81 . . 2 . . . . . . . . . 6499 1 122 . 1 1 16 16 LEU HG H 1 1.19 . . 1 . . . . . . . . . 6499 1 123 . 1 1 16 16 LEU HD11 H 1 0.86 . . 2 . . . . . . . . . 6499 1 124 . 1 1 16 16 LEU HD12 H 1 0.86 . . 2 . . . . . . . . . 6499 1 125 . 1 1 16 16 LEU HD13 H 1 0.86 . . 2 . . . . . . . . . 6499 1 126 . 1 1 16 16 LEU HD21 H 1 0.84 . . 2 . . . . . . . . . 6499 1 127 . 1 1 16 16 LEU HD22 H 1 0.84 . . 2 . . . . . . . . . 6499 1 128 . 1 1 16 16 LEU HD23 H 1 0.84 . . 2 . . . . . . . . . 6499 1 129 . 1 1 17 17 ARG H H 1 8.47 . . 1 . . . . . . . . . 6499 1 130 . 1 1 17 17 ARG HA H 1 4.37 . . 1 . . . . . . . . . 6499 1 131 . 1 1 17 17 ARG HB2 H 1 1.89 . . 2 . . . . . . . . . 6499 1 132 . 1 1 17 17 ARG HB3 H 1 1.79 . . 2 . . . . . . . . . 6499 1 133 . 1 1 17 17 ARG HG2 H 1 1.63 . . 1 . . . . . . . . . 6499 1 134 . 1 1 17 17 ARG HG3 H 1 1.63 . . 1 . . . . . . . . . 6499 1 135 . 1 1 17 17 ARG HD2 H 1 3.22 . . 2 . . . . . . . . . 6499 1 136 . 1 1 17 17 ARG HD3 H 1 3.17 . . 2 . . . . . . . . . 6499 1 137 . 1 1 17 17 ARG HH11 H 1 7.10 . . 1 . . . . . . . . . 6499 1 138 . 1 1 17 17 ARG HH12 H 1 7.10 . . 1 . . . . . . . . . 6499 1 139 . 1 1 17 17 ARG HH21 H 1 6.43 . . 1 . . . . . . . . . 6499 1 140 . 1 1 17 17 ARG HH22 H 1 6.43 . . 1 . . . . . . . . . 6499 1 141 . 1 1 18 18 LYS H H 1 8.38 . . 1 . . . . . . . . . 6499 1 142 . 1 1 18 18 LYS HA H 1 4.16 . . 1 . . . . . . . . . 6499 1 143 . 1 1 18 18 LYS HB2 H 1 2.08 . . 1 . . . . . . . . . 6499 1 144 . 1 1 18 18 LYS HB3 H 1 2.08 . . 1 . . . . . . . . . 6499 1 145 . 1 1 18 18 LYS HG2 H 1 1.62 . . 1 . . . . . . . . . 6499 1 146 . 1 1 18 18 LYS HG3 H 1 1.62 . . 1 . . . . . . . . . 6499 1 147 . 1 1 18 18 LYS HD2 H 1 1.58 . . 1 . . . . . . . . . 6499 1 148 . 1 1 18 18 LYS HD3 H 1 1.58 . . 1 . . . . . . . . . 6499 1 149 . 1 1 18 18 LYS HE2 H 1 3.03 . . 1 . . . . . . . . . 6499 1 150 . 1 1 18 18 LYS HE3 H 1 3.03 . . 1 . . . . . . . . . 6499 1 151 . 1 1 18 18 LYS HZ1 H 1 7.26 . . 1 . . . . . . . . . 6499 1 152 . 1 1 18 18 LYS HZ2 H 1 7.26 . . 1 . . . . . . . . . 6499 1 153 . 1 1 18 18 LYS HZ3 H 1 7.26 . . 1 . . . . . . . . . 6499 1 154 . 1 1 19 19 CYS H H 1 7.95 . . 1 . . . . . . . . . 6499 1 155 . 1 1 19 19 CYS HA H 1 4.51 . . 1 . . . . . . . . . 6499 1 156 . 1 1 19 19 CYS HB2 H 1 3.26 . . 2 . . . . . . . . . 6499 1 157 . 1 1 19 19 CYS HB3 H 1 2.96 . . 2 . . . . . . . . . 6499 1 158 . 1 1 20 20 LYS H H 1 8.21 . . 1 . . . . . . . . . 6499 1 159 . 1 1 20 20 LYS HA H 1 4.09 . . 1 . . . . . . . . . 6499 1 160 . 1 1 20 20 LYS HB2 H 1 2.19 . . 2 . . . . . . . . . 6499 1 161 . 1 1 20 20 LYS HB3 H 1 1.81 . . 2 . . . . . . . . . 6499 1 162 . 1 1 20 20 LYS HG2 H 1 1.45 . . 2 . . . . . . . . . 6499 1 163 . 1 1 20 20 LYS HG3 H 1 1.42 . . 2 . . . . . . . . . 6499 1 164 . 1 1 20 20 LYS HD2 H 1 1.46 . . 2 . . . . . . . . . 6499 1 165 . 1 1 20 20 LYS HD3 H 1 1.44 . . 2 . . . . . . . . . 6499 1 166 . 1 1 20 20 LYS HE2 H 1 3.11 . . 1 . . . . . . . . . 6499 1 167 . 1 1 20 20 LYS HE3 H 1 3.11 . . 1 . . . . . . . . . 6499 1 168 . 1 1 20 20 LYS HZ1 H 1 7.16 . . 1 . . . . . . . . . 6499 1 169 . 1 1 20 20 LYS HZ2 H 1 7.16 . . 1 . . . . . . . . . 6499 1 170 . 1 1 20 20 LYS HZ3 H 1 7.16 . . 1 . . . . . . . . . 6499 1 171 . 1 1 21 21 ILE H H 1 8.34 . . 1 . . . . . . . . . 6499 1 172 . 1 1 21 21 ILE HA H 1 3.86 . . 1 . . . . . . . . . 6499 1 173 . 1 1 21 21 ILE HB H 1 1.63 . . 1 . . . . . . . . . 6499 1 174 . 1 1 21 21 ILE HG12 H 1 1.10 . . 2 . . . . . . . . . 6499 1 175 . 1 1 21 21 ILE HG13 H 1 0.98 . . 2 . . . . . . . . . 6499 1 176 . 1 1 21 21 ILE HG21 H 1 0.82 . . 1 . . . . . . . . . 6499 1 177 . 1 1 21 21 ILE HG22 H 1 0.82 . . 1 . . . . . . . . . 6499 1 178 . 1 1 21 21 ILE HG23 H 1 0.82 . . 1 . . . . . . . . . 6499 1 179 . 1 1 21 21 ILE HD11 H 1 0.82 . . 1 . . . . . . . . . 6499 1 180 . 1 1 21 21 ILE HD12 H 1 0.82 . . 1 . . . . . . . . . 6499 1 181 . 1 1 21 21 ILE HD13 H 1 0.82 . . 1 . . . . . . . . . 6499 1 182 . 1 1 22 22 ILE H H 1 6.88 . . 1 . . . . . . . . . 6499 1 183 . 1 1 22 22 ILE HA H 1 4.20 . . 1 . . . . . . . . . 6499 1 184 . 1 1 22 22 ILE HB H 1 1.82 . . 1 . . . . . . . . . 6499 1 185 . 1 1 22 22 ILE HG12 H 1 1.10 . . 2 . . . . . . . . . 6499 1 186 . 1 1 22 22 ILE HG13 H 1 0.73 . . 2 . . . . . . . . . 6499 1 187 . 1 1 22 22 ILE HG21 H 1 0.56 . . 1 . . . . . . . . . 6499 1 188 . 1 1 22 22 ILE HG22 H 1 0.56 . . 1 . . . . . . . . . 6499 1 189 . 1 1 22 22 ILE HG23 H 1 0.56 . . 1 . . . . . . . . . 6499 1 190 . 1 1 22 22 ILE HD11 H 1 0.41 . . 1 . . . . . . . . . 6499 1 191 . 1 1 22 22 ILE HD12 H 1 0.41 . . 1 . . . . . . . . . 6499 1 192 . 1 1 22 22 ILE HD13 H 1 0.41 . . 1 . . . . . . . . . 6499 1 stop_ save_ ################################### # 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_chemical_shift_ch_B _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_ch_B _Assigned_chem_shift_list.Entry_ID 6499 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 NOESY' 1 $sample_1 . 6499 2 2 '2D TOCSY' 1 $sample_1 . 6499 2 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 . 2 2 1 1 ASN HA H 1 4.27 . . 1 . . . . . . . . . 6499 2 2 . 2 2 1 1 ASN HB2 H 1 2.99 . . 1 . . . . . . . . . 6499 2 3 . 2 2 1 1 ASN HB3 H 1 2.99 . . 1 . . . . . . . . . 6499 2 4 . 2 2 1 1 ASN HD21 H 1 7.76 . . 2 . . . . . . . . . 6499 2 5 . 2 2 1 1 ASN HD22 H 1 7.04 . . 2 . . . . . . . . . 6499 2 6 . 2 2 2 2 LEU H H 1 7.89 . . 1 . . . . . . . . . 6499 2 7 . 2 2 2 2 LEU HA H 1 4.46 . . 1 . . . . . . . . . 6499 2 8 . 2 2 2 2 LEU HB2 H 1 2.05 . . 2 . . . . . . . . . 6499 2 9 . 2 2 2 2 LEU HB3 H 1 1.70 . . 2 . . . . . . . . . 6499 2 10 . 2 2 2 2 LEU HG H 1 1.70 . . 1 . . . . . . . . . 6499 2 11 . 2 2 2 2 LEU HD11 H 1 1.00 . . 2 . . . . . . . . . 6499 2 12 . 2 2 2 2 LEU HD12 H 1 1.00 . . 2 . . . . . . . . . 6499 2 13 . 2 2 2 2 LEU HD13 H 1 1.00 . . 2 . . . . . . . . . 6499 2 14 . 2 2 2 2 LEU HD21 H 1 0.96 . . 2 . . . . . . . . . 6499 2 15 . 2 2 2 2 LEU HD22 H 1 0.96 . . 2 . . . . . . . . . 6499 2 16 . 2 2 2 2 LEU HD23 H 1 0.96 . . 2 . . . . . . . . . 6499 2 17 . 2 2 3 3 VAL H H 1 8.21 . . 1 . . . . . . . . . 6499 2 18 . 2 2 3 3 VAL HA H 1 4.09 . . 1 . . . . . . . . . 6499 2 19 . 2 2 3 3 VAL HB H 1 2.23 . . 1 . . . . . . . . . 6499 2 20 . 2 2 3 3 VAL HG11 H 1 1.04 . . 2 . . . . . . . . . 6499 2 21 . 2 2 3 3 VAL HG12 H 1 1.04 . . 2 . . . . . . . . . 6499 2 22 . 2 2 3 3 VAL HG13 H 1 1.04 . . 2 . . . . . . . . . 6499 2 23 . 2 2 3 3 VAL HG21 H 1 1.02 . . 2 . . . . . . . . . 6499 2 24 . 2 2 3 3 VAL HG22 H 1 1.02 . . 2 . . . . . . . . . 6499 2 25 . 2 2 3 3 VAL HG23 H 1 1.02 . . 2 . . . . . . . . . 6499 2 26 . 2 2 4 4 SER H H 1 8.36 . . 1 . . . . . . . . . 6499 2 27 . 2 2 4 4 SER HA H 1 4.40 . . 1 . . . . . . . . . 6499 2 28 . 2 2 4 4 SER HB2 H 1 4.02 . . 2 . . . . . . . . . 6499 2 29 . 2 2 4 4 SER HB3 H 1 3.95 . . 2 . . . . . . . . . 6499 2 30 . 2 2 5 5 GLY H H 1 8.63 . . 1 . . . . . . . . . 6499 2 31 . 2 2 5 5 GLY HA2 H 1 4.04 . . 1 . . . . . . . . . 6499 2 32 . 2 2 5 5 GLY HA3 H 1 4.04 . . 1 . . . . . . . . . 6499 2 33 . 2 2 6 6 LEU H H 1 8.11 . . 1 . . . . . . . . . 6499 2 34 . 2 2 6 6 LEU HA H 1 4.04 . . 1 . . . . . . . . . 6499 2 35 . 2 2 6 6 LEU HB2 H 1 1.74 . . 2 . . . . . . . . . 6499 2 36 . 2 2 6 6 LEU HB3 H 1 1.37 . . 2 . . . . . . . . . 6499 2 37 . 2 2 6 6 LEU HG H 1 1.23 . . 1 . . . . . . . . . 6499 2 38 . 2 2 6 6 LEU HD11 H 1 0.95 . . 2 . . . . . . . . . 6499 2 39 . 2 2 6 6 LEU HD12 H 1 0.95 . . 2 . . . . . . . . . 6499 2 40 . 2 2 6 6 LEU HD13 H 1 0.95 . . 2 . . . . . . . . . 6499 2 41 . 2 2 6 6 LEU HD21 H 1 0.84 . . 2 . . . . . . . . . 6499 2 42 . 2 2 6 6 LEU HD22 H 1 0.84 . . 2 . . . . . . . . . 6499 2 43 . 2 2 6 6 LEU HD23 H 1 0.84 . . 2 . . . . . . . . . 6499 2 44 . 2 2 7 7 ILE H H 1 7.93 . . 1 . . . . . . . . . 6499 2 45 . 2 2 7 7 ILE HA H 1 3.74 . . 1 . . . . . . . . . 6499 2 46 . 2 2 7 7 ILE HB H 1 2.04 . . 1 . . . . . . . . . 6499 2 47 . 2 2 7 7 ILE HG12 H 1 1.72 . . 2 . . . . . . . . . 6499 2 48 . 2 2 7 7 ILE HG13 H 1 1.70 . . 2 . . . . . . . . . 6499 2 49 . 2 2 7 7 ILE HG21 H 1 1.32 . . 1 . . . . . . . . . 6499 2 50 . 2 2 7 7 ILE HG22 H 1 1.32 . . 1 . . . . . . . . . 6499 2 51 . 2 2 7 7 ILE HG23 H 1 1.32 . . 1 . . . . . . . . . 6499 2 52 . 2 2 7 7 ILE HD11 H 1 1.00 . . 1 . . . . . . . . . 6499 2 53 . 2 2 7 7 ILE HD12 H 1 1.00 . . 1 . . . . . . . . . 6499 2 54 . 2 2 7 7 ILE HD13 H 1 1.00 . . 1 . . . . . . . . . 6499 2 55 . 2 2 8 8 GLU H H 1 8.44 . . 1 . . . . . . . . . 6499 2 56 . 2 2 8 8 GLU HA H 1 4.05 . . 1 . . . . . . . . . 6499 2 57 . 2 2 8 8 GLU HB2 H 1 2.19 . . 2 . . . . . . . . . 6499 2 58 . 2 2 8 8 GLU HB3 H 1 2.11 . . 2 . . . . . . . . . 6499 2 59 . 2 2 8 8 GLU HG2 H 1 2.51 . . 2 . . . . . . . . . 6499 2 60 . 2 2 8 8 GLU HG3 H 1 2.43 . . 2 . . . . . . . . . 6499 2 61 . 2 2 9 9 ALA H H 1 8.31 . . 1 . . . . . . . . . 6499 2 62 . 2 2 9 9 ALA HA H 1 4.37 . . 1 . . . . . . . . . 6499 2 63 . 2 2 9 9 ALA HB1 H 1 1.62 . . 1 . . . . . . . . . 6499 2 64 . 2 2 9 9 ALA HB2 H 1 1.62 . . 1 . . . . . . . . . 6499 2 65 . 2 2 9 9 ALA HB3 H 1 1.62 . . 1 . . . . . . . . . 6499 2 66 . 2 2 10 10 ARG H H 1 8.19 . . 1 . . . . . . . . . 6499 2 67 . 2 2 10 10 ARG HA H 1 3.87 . . 1 . . . . . . . . . 6499 2 68 . 2 2 10 10 ARG HB2 H 1 2.08 . . 2 . . . . . . . . . 6499 2 69 . 2 2 10 10 ARG HB3 H 1 1.84 . . 2 . . . . . . . . . 6499 2 70 . 2 2 10 10 ARG HG2 H 1 1.52 . . 1 . . . . . . . . . 6499 2 71 . 2 2 10 10 ARG HG3 H 1 1.52 . . 1 . . . . . . . . . 6499 2 72 . 2 2 10 10 ARG HD2 H 1 3.11 . . 1 . . . . . . . . . 6499 2 73 . 2 2 10 10 ARG HD3 H 1 3.11 . . 1 . . . . . . . . . 6499 2 74 . 2 2 10 10 ARG HH11 H 1 7.10 . . 1 . . . . . . . . . 6499 2 75 . 2 2 10 10 ARG HH12 H 1 7.10 . . 1 . . . . . . . . . 6499 2 76 . 2 2 10 10 ARG HH21 H 1 6.50 . . 1 . . . . . . . . . 6499 2 77 . 2 2 10 10 ARG HH22 H 1 6.50 . . 1 . . . . . . . . . 6499 2 78 . 2 2 11 11 LYS H H 1 8.11 . . 1 . . . . . . . . . 6499 2 79 . 2 2 11 11 LYS HA H 1 4.15 . . 1 . . . . . . . . . 6499 2 80 . 2 2 11 11 LYS HB2 H 1 2.01 . . 2 . . . . . . . . . 6499 2 81 . 2 2 11 11 LYS HB3 H 1 1.76 . . 2 . . . . . . . . . 6499 2 82 . 2 2 11 11 LYS HG2 H 1 1.57 . . 1 . . . . . . . . . 6499 2 83 . 2 2 11 11 LYS HG3 H 1 1.57 . . 1 . . . . . . . . . 6499 2 84 . 2 2 11 11 LYS HD2 H 1 1.55 . . 1 . . . . . . . . . 6499 2 85 . 2 2 11 11 LYS HD3 H 1 1.55 . . 1 . . . . . . . . . 6499 2 86 . 2 2 11 11 LYS HE2 H 1 3.00 . . 1 . . . . . . . . . 6499 2 87 . 2 2 11 11 LYS HE3 H 1 3.00 . . 1 . . . . . . . . . 6499 2 88 . 2 2 11 11 LYS HZ1 H 1 7.21 . . 1 . . . . . . . . . 6499 2 89 . 2 2 11 11 LYS HZ2 H 1 7.21 . . 1 . . . . . . . . . 6499 2 90 . 2 2 11 11 LYS HZ3 H 1 7.21 . . 1 . . . . . . . . . 6499 2 91 . 2 2 12 12 TYR H H 1 8.52 . . 1 . . . . . . . . . 6499 2 92 . 2 2 12 12 TYR HA H 1 4.39 . . 1 . . . . . . . . . 6499 2 93 . 2 2 12 12 TYR HB2 H 1 3.36 . . 2 . . . . . . . . . 6499 2 94 . 2 2 12 12 TYR HB3 H 1 3.13 . . 2 . . . . . . . . . 6499 2 95 . 2 2 12 12 TYR HD1 H 1 7.10 . . 1 . . . . . . . . . 6499 2 96 . 2 2 12 12 TYR HD2 H 1 7.10 . . 1 . . . . . . . . . 6499 2 97 . 2 2 12 12 TYR HE1 H 1 6.79 . . 1 . . . . . . . . . 6499 2 98 . 2 2 12 12 TYR HE2 H 1 6.79 . . 1 . . . . . . . . . 6499 2 99 . 2 2 13 13 LEU H H 1 8.59 . . 1 . . . . . . . . . 6499 2 100 . 2 2 13 13 LEU HA H 1 3.97 . . 1 . . . . . . . . . 6499 2 101 . 2 2 13 13 LEU HB2 H 1 2.12 . . 2 . . . . . . . . . 6499 2 102 . 2 2 13 13 LEU HB3 H 1 2.02 . . 2 . . . . . . . . . 6499 2 103 . 2 2 13 13 LEU HG H 1 1.67 . . 1 . . . . . . . . . 6499 2 104 . 2 2 13 13 LEU HD11 H 1 0.98 . . 2 . . . . . . . . . 6499 2 105 . 2 2 13 13 LEU HD12 H 1 0.98 . . 2 . . . . . . . . . 6499 2 106 . 2 2 13 13 LEU HD13 H 1 0.98 . . 2 . . . . . . . . . 6499 2 107 . 2 2 13 13 LEU HD21 H 1 0.84 . . 2 . . . . . . . . . 6499 2 108 . 2 2 13 13 LEU HD22 H 1 0.84 . . 2 . . . . . . . . . 6499 2 109 . 2 2 13 13 LEU HD23 H 1 0.84 . . 2 . . . . . . . . . 6499 2 110 . 2 2 14 14 GLU H H 1 8.10 . . 1 . . . . . . . . . 6499 2 111 . 2 2 14 14 GLU HA H 1 4.39 . . 1 . . . . . . . . . 6499 2 112 . 2 2 14 14 GLU HB2 H 1 2.34 . . 1 . . . . . . . . . 6499 2 113 . 2 2 14 14 GLU HB3 H 1 2.34 . . 1 . . . . . . . . . 6499 2 114 . 2 2 14 14 GLU HG2 H 1 2.31 . . 2 . . . . . . . . . 6499 2 115 . 2 2 14 14 GLU HG3 H 1 2.28 . . 2 . . . . . . . . . 6499 2 116 . 2 2 15 15 GLN H H 1 7.99 . . 1 . . . . . . . . . 6499 2 117 . 2 2 15 15 GLN HA H 1 4.15 . . 1 . . . . . . . . . 6499 2 118 . 2 2 15 15 GLN HB2 H 1 2.36 . . 2 . . . . . . . . . 6499 2 119 . 2 2 15 15 GLN HB3 H 1 2.22 . . 2 . . . . . . . . . 6499 2 120 . 2 2 15 15 GLN HG2 H 1 2.64 . . 1 . . . . . . . . . 6499 2 121 . 2 2 15 15 GLN HG3 H 1 2.64 . . 1 . . . . . . . . . 6499 2 122 . 2 2 15 15 GLN HE21 H 1 7.69 . . 2 . . . . . . . . . 6499 2 123 . 2 2 15 15 GLN HE22 H 1 7.01 . . 2 . . . . . . . . . 6499 2 124 . 2 2 16 16 LEU H H 1 8.37 . . 1 . . . . . . . . . 6499 2 125 . 2 2 16 16 LEU HA H 1 4.37 . . 1 . . . . . . . . . 6499 2 126 . 2 2 16 16 LEU HB2 H 1 1.74 . . 2 . . . . . . . . . 6499 2 127 . 2 2 16 16 LEU HB3 H 1 1.68 . . 2 . . . . . . . . . 6499 2 128 . 2 2 16 16 LEU HG H 1 1.24 . . 1 . . . . . . . . . 6499 2 129 . 2 2 16 16 LEU HD11 H 1 0.99 . . 2 . . . . . . . . . 6499 2 130 . 2 2 16 16 LEU HD12 H 1 0.99 . . 2 . . . . . . . . . 6499 2 131 . 2 2 16 16 LEU HD13 H 1 0.99 . . 2 . . . . . . . . . 6499 2 132 . 2 2 16 16 LEU HD21 H 1 0.82 . . 2 . . . . . . . . . 6499 2 133 . 2 2 16 16 LEU HD22 H 1 0.82 . . 2 . . . . . . . . . 6499 2 134 . 2 2 16 16 LEU HD23 H 1 0.82 . . 2 . . . . . . . . . 6499 2 135 . 2 2 17 17 HIS H H 1 8.40 . . 1 . . . . . . . . . 6499 2 136 . 2 2 17 17 HIS HA H 1 3.89 . . 1 . . . . . . . . . 6499 2 137 . 2 2 17 17 HIS HB2 H 1 3.27 . . 2 . . . . . . . . . 6499 2 138 . 2 2 17 17 HIS HB3 H 1 3.13 . . 2 . . . . . . . . . 6499 2 139 . 2 2 17 17 HIS HD2 H 1 7.07 . . 1 . . . . . . . . . 6499 2 140 . 2 2 17 17 HIS HE1 H 1 8.04 . . 1 . . . . . . . . . 6499 2 141 . 2 2 18 18 ARG H H 1 8.03 . . 1 . . . . . . . . . 6499 2 142 . 2 2 18 18 ARG HA H 1 3.99 . . 1 . . . . . . . . . 6499 2 143 . 2 2 18 18 ARG HB2 H 1 2.09 . . 2 . . . . . . . . . 6499 2 144 . 2 2 18 18 ARG HB3 H 1 2.00 . . 2 . . . . . . . . . 6499 2 145 . 2 2 18 18 ARG HG2 H 1 1.89 . . 2 . . . . . . . . . 6499 2 146 . 2 2 18 18 ARG HG3 H 1 1.71 . . 2 . . . . . . . . . 6499 2 147 . 2 2 18 18 ARG HD2 H 1 3.30 . . 1 . . . . . . . . . 6499 2 148 . 2 2 18 18 ARG HD3 H 1 3.30 . . 1 . . . . . . . . . 6499 2 149 . 2 2 18 18 ARG HH11 H 1 7.18 . . 1 . . . . . . . . . 6499 2 150 . 2 2 18 18 ARG HH12 H 1 7.18 . . 1 . . . . . . . . . 6499 2 151 . 2 2 18 18 ARG HH21 H 1 6.64 . . 1 . . . . . . . . . 6499 2 152 . 2 2 18 18 ARG HH22 H 1 6.64 . . 1 . . . . . . . . . 6499 2 153 . 2 2 19 19 LYS H H 1 8.14 . . 1 . . . . . . . . . 6499 2 154 . 2 2 19 19 LYS HA H 1 4.15 . . 1 . . . . . . . . . 6499 2 155 . 2 2 19 19 LYS HB2 H 1 1.87 . . 2 . . . . . . . . . 6499 2 156 . 2 2 19 19 LYS HB3 H 1 1.77 . . 2 . . . . . . . . . 6499 2 157 . 2 2 19 19 LYS HG2 H 1 1.58 . . 1 . . . . . . . . . 6499 2 158 . 2 2 19 19 LYS HG3 H 1 1.58 . . 1 . . . . . . . . . 6499 2 159 . 2 2 19 19 LYS HD2 H 1 1.55 . . 1 . . . . . . . . . 6499 2 160 . 2 2 19 19 LYS HD3 H 1 1.55 . . 1 . . . . . . . . . 6499 2 161 . 2 2 19 19 LYS HE2 H 1 3.02 . . 1 . . . . . . . . . 6499 2 162 . 2 2 19 19 LYS HE3 H 1 3.02 . . 1 . . . . . . . . . 6499 2 163 . 2 2 19 19 LYS HZ1 H 1 7.12 . . 1 . . . . . . . . . 6499 2 164 . 2 2 19 19 LYS HZ2 H 1 7.12 . . 1 . . . . . . . . . 6499 2 165 . 2 2 19 19 LYS HZ3 H 1 7.12 . . 1 . . . . . . . . . 6499 2 166 . 2 2 20 20 LEU H H 1 8.54 . . 1 . . . . . . . . . 6499 2 167 . 2 2 20 20 LEU HA H 1 3.98 . . 1 . . . . . . . . . 6499 2 168 . 2 2 20 20 LEU HB2 H 1 1.87 . . 2 . . . . . . . . . 6499 2 169 . 2 2 20 20 LEU HB3 H 1 1.69 . . 2 . . . . . . . . . 6499 2 170 . 2 2 20 20 LEU HG H 1 1.47 . . 1 . . . . . . . . . 6499 2 171 . 2 2 20 20 LEU HD11 H 1 0.99 . . 2 . . . . . . . . . 6499 2 172 . 2 2 20 20 LEU HD12 H 1 0.99 . . 2 . . . . . . . . . 6499 2 173 . 2 2 20 20 LEU HD13 H 1 0.99 . . 2 . . . . . . . . . 6499 2 174 . 2 2 20 20 LEU HD21 H 1 0.84 . . 2 . . . . . . . . . 6499 2 175 . 2 2 20 20 LEU HD22 H 1 0.84 . . 2 . . . . . . . . . 6499 2 176 . 2 2 20 20 LEU HD23 H 1 0.84 . . 2 . . . . . . . . . 6499 2 177 . 2 2 21 21 LYS H H 1 7.74 . . 1 . . . . . . . . . 6499 2 178 . 2 2 21 21 LYS HA H 1 3.94 . . 1 . . . . . . . . . 6499 2 179 . 2 2 21 21 LYS HB2 H 1 1.88 . . 2 . . . . . . . . . 6499 2 180 . 2 2 21 21 LYS HB3 H 1 1.65 . . 2 . . . . . . . . . 6499 2 181 . 2 2 21 21 LYS HG2 H 1 1.39 . . 1 . . . . . . . . . 6499 2 182 . 2 2 21 21 LYS HG3 H 1 1.39 . . 1 . . . . . . . . . 6499 2 183 . 2 2 21 21 LYS HD2 H 1 1.55 . . 1 . . . . . . . . . 6499 2 184 . 2 2 21 21 LYS HD3 H 1 1.55 . . 1 . . . . . . . . . 6499 2 185 . 2 2 21 21 LYS HE2 H 1 3.02 . . 1 . . . . . . . . . 6499 2 186 . 2 2 21 21 LYS HE3 H 1 3.02 . . 1 . . . . . . . . . 6499 2 187 . 2 2 21 21 LYS HZ1 H 1 7.12 . . 1 . . . . . . . . . 6499 2 188 . 2 2 21 21 LYS HZ2 H 1 7.12 . . 1 . . . . . . . . . 6499 2 189 . 2 2 21 21 LYS HZ3 H 1 7.12 . . 1 . . . . . . . . . 6499 2 190 . 2 2 22 22 ASN H H 1 7.26 . . 1 . . . . . . . . . 6499 2 191 . 2 2 22 22 ASN HA H 1 4.89 . . 1 . . . . . . . . . 6499 2 192 . 2 2 22 22 ASN HB2 H 1 3.08 . . 1 . . . . . . . . . 6499 2 193 . 2 2 22 22 ASN HB3 H 1 2.69 . . 1 . . . . . . . . . 6499 2 194 . 2 2 22 22 ASN HD21 H 1 7.62 . . 2 . . . . . . . . . 6499 2 195 . 2 2 22 22 ASN HD22 H 1 6.95 . . 2 . . . . . . . . . 6499 2 196 . 2 2 23 23 CYS H H 1 7.42 . . 1 . . . . . . . . . 6499 2 197 . 2 2 23 23 CYS HA H 1 4.54 . . 1 . . . . . . . . . 6499 2 198 . 2 2 23 23 CYS HB2 H 1 3.64 . . 2 . . . . . . . . . 6499 2 199 . 2 2 23 23 CYS HB3 H 1 3.06 . . 2 . . . . . . . . . 6499 2 200 . 2 2 24 24 LYS H H 1 8.62 . . 1 . . . . . . . . . 6499 2 201 . 2 2 24 24 LYS HA H 1 4.57 . . 1 . . . . . . . . . 6499 2 202 . 2 2 24 24 LYS HB2 H 1 1.91 . . 2 . . . . . . . . . 6499 2 203 . 2 2 24 24 LYS HB3 H 1 1.74 . . 2 . . . . . . . . . 6499 2 204 . 2 2 24 24 LYS HG2 H 1 1.47 . . 1 . . . . . . . . . 6499 2 205 . 2 2 24 24 LYS HG3 H 1 1.47 . . 1 . . . . . . . . . 6499 2 206 . 2 2 24 24 LYS HD2 H 1 1.49 . . 1 . . . . . . . . . 6499 2 207 . 2 2 24 24 LYS HD3 H 1 1.49 . . 1 . . . . . . . . . 6499 2 208 . 2 2 24 24 LYS HE2 H 1 3.05 . . 1 . . . . . . . . . 6499 2 209 . 2 2 24 24 LYS HE3 H 1 3.05 . . 1 . . . . . . . . . 6499 2 210 . 2 2 24 24 LYS HZ1 H 1 7.19 . . 1 . . . . . . . . . 6499 2 211 . 2 2 24 24 LYS HZ2 H 1 7.19 . . 1 . . . . . . . . . 6499 2 212 . 2 2 24 24 LYS HZ3 H 1 7.19 . . 1 . . . . . . . . . 6499 2 213 . 2 2 25 25 VAL H H 1 7.62 . . 1 . . . . . . . . . 6499 2 214 . 2 2 25 25 VAL HA H 1 4.16 . . 1 . . . . . . . . . 6499 2 215 . 2 2 25 25 VAL HB H 1 2.09 . . 1 . . . . . . . . . 6499 2 216 . 2 2 25 25 VAL HG11 H 1 0.93 . . 1 . . . . . . . . . 6499 2 217 . 2 2 25 25 VAL HG12 H 1 0.93 . . 1 . . . . . . . . . 6499 2 218 . 2 2 25 25 VAL HG13 H 1 0.93 . . 1 . . . . . . . . . 6499 2 219 . 2 2 25 25 VAL HG21 H 1 0.93 . . 1 . . . . . . . . . 6499 2 220 . 2 2 25 25 VAL HG22 H 1 0.93 . . 1 . . . . . . . . . 6499 2 221 . 2 2 25 25 VAL HG23 H 1 0.93 . . 1 . . . . . . . . . 6499 2 stop_ save_