################################### # 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_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 18 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 18 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 2 2 GLU H H 1 8.32 . . 1 . . . . . . . . 18 1 2 . 1 1 2 2 GLU HA H 1 4.3 . . 1 . . . . . . . . 18 1 3 . 1 1 2 2 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 18 1 4 . 1 1 2 2 GLU HB3 H 1 1.86 . . 1 . . . . . . . . 18 1 5 . 1 1 3 3 PHE H H 1 8.17 . . 1 . . . . . . . . 18 1 6 . 1 1 3 3 PHE HA H 1 4.62 . . 1 . . . . . . . . 18 1 7 . 1 1 3 3 PHE HB2 H 1 3.19 . . 1 . . . . . . . . 18 1 8 . 1 1 3 3 PHE HB3 H 1 2.99 . . 1 . . . . . . . . 18 1 9 . 1 1 5 5 SER H H 1 8.1 . . 1 . . . . . . . . 18 1 10 . 1 1 5 5 SER HA H 1 4.36 . . 1 . . . . . . . . 18 1 11 . 1 1 5 5 SER HB2 H 1 3.88 . . 1 . . . . . . . . 18 1 12 . 1 1 5 5 SER HB3 H 1 3.81 . . 1 . . . . . . . . 18 1 13 . 1 1 6 6 GLU H H 1 8.27 . . 1 . . . . . . . . 18 1 14 . 1 1 6 6 GLU HA H 1 4.38 . . 1 . . . . . . . . 18 1 15 . 1 1 6 6 GLU HB2 H 1 2 . . 2 . . . . . . . . 18 1 16 . 1 1 6 6 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 18 1 17 . 1 1 7 7 LEU H H 1 8.07 . . 1 . . . . . . . . 18 1 18 . 1 1 7 7 LEU HA H 1 4.42 . . 1 . . . . . . . . 18 1 19 . 1 1 7 7 LEU HB2 H 1 1.56 . . 2 . . . . . . . . 18 1 20 . 1 1 7 7 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 18 1 21 . 1 1 8 8 LYS H H 1 7.89 . . 1 . . . . . . . . 18 1 22 . 1 1 8 8 LYS HA H 1 4.12 . . 1 . . . . . . . . 18 1 23 . 1 1 8 8 LYS HB2 H 1 1.6 . . 2 . . . . . . . . 18 1 24 . 1 1 8 8 LYS HB3 H 1 1.66 . . 2 . . . . . . . . 18 1 25 . 1 1 9 9 SER H H 1 7.89 . . 1 . . . . . . . . 18 1 26 . 1 1 9 9 SER HA H 1 5.1 . . 1 . . . . . . . . 18 1 27 . 1 1 9 9 SER HB2 H 1 3.69 . . 2 . . . . . . . . 18 1 28 . 1 1 9 9 SER HB3 H 1 3.71 . . 2 . . . . . . . . 18 1 29 . 1 1 10 10 PHE H H 1 7.66 . . 1 . . . . . . . . 18 1 30 . 1 1 10 10 PHE HA H 1 5.31 . . 1 . . . . . . . . 18 1 31 . 1 1 10 10 PHE HB2 H 1 2.82 . . 2 . . . . . . . . 18 1 32 . 1 1 10 10 PHE HB3 H 1 2.97 . . 2 . . . . . . . . 18 1 33 . 1 1 12 12 GLU H H 1 9.53 . . 1 . . . . . . . . 18 1 34 . 1 1 12 12 GLU HA H 1 4.16 . . 1 . . . . . . . . 18 1 35 . 1 1 12 12 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 18 1 36 . 1 1 12 12 GLU HB3 H 1 1.78 . . 1 . . . . . . . . 18 1 37 . 1 1 13 13 VAL H H 1 7.09 . . 1 . . . . . . . . 18 1 38 . 1 1 13 13 VAL HA H 1 3.82 . . 1 . . . . . . . . 18 1 39 . 1 1 13 13 VAL HB H 1 2.23 . . 1 . . . . . . . . 18 1 40 . 1 1 13 13 VAL HG11 H 1 .96 . . 1 . . . . . . . . 18 1 41 . 1 1 13 13 VAL HG12 H 1 .96 . . 1 . . . . . . . . 18 1 42 . 1 1 13 13 VAL HG13 H 1 .96 . . 1 . . . . . . . . 18 1 43 . 1 1 13 13 VAL HG21 H 1 .7 . . 1 . . . . . . . . 18 1 44 . 1 1 13 13 VAL HG22 H 1 .7 . . 1 . . . . . . . . 18 1 45 . 1 1 13 13 VAL HG23 H 1 .7 . . 1 . . . . . . . . 18 1 46 . 1 1 14 14 VAL H H 1 7.18 . . 1 . . . . . . . . 18 1 47 . 1 1 14 14 VAL HA H 1 3.53 . . 1 . . . . . . . . 18 1 48 . 1 1 14 14 VAL HB H 1 2.04 . . 1 . . . . . . . . 18 1 49 . 1 1 14 14 VAL HG11 H 1 .92 . . 1 . . . . . . . . 18 1 50 . 1 1 14 14 VAL HG12 H 1 .92 . . 1 . . . . . . . . 18 1 51 . 1 1 14 14 VAL HG13 H 1 .92 . . 1 . . . . . . . . 18 1 52 . 1 1 14 14 VAL HG21 H 1 .99 . . 1 . . . . . . . . 18 1 53 . 1 1 14 14 VAL HG22 H 1 .99 . . 1 . . . . . . . . 18 1 54 . 1 1 14 14 VAL HG23 H 1 .99 . . 1 . . . . . . . . 18 1 55 . 1 1 16 16 LYS H H 1 7.84 . . 1 . . . . . . . . 18 1 56 . 1 1 16 16 LYS HA H 1 4.63 . . 1 . . . . . . . . 18 1 57 . 1 1 16 16 LYS HB2 H 1 2.08 . . 1 . . . . . . . . 18 1 58 . 1 1 16 16 LYS HB3 H 1 2.08 . . 1 . . . . . . . . 18 1 59 . 1 1 18 18 VAL H H 1 8.07 . . 1 . . . . . . . . 18 1 60 . 1 1 18 18 VAL HA H 1 3.1 . . 1 . . . . . . . . 18 1 61 . 1 1 18 18 VAL HB H 1 1.5 . . 1 . . . . . . . . 18 1 62 . 1 1 18 18 VAL HG11 H 1 -.2 . . 1 . . . . . . . . 18 1 63 . 1 1 18 18 VAL HG12 H 1 -.2 . . 1 . . . . . . . . 18 1 64 . 1 1 18 18 VAL HG13 H 1 -.2 . . 1 . . . . . . . . 18 1 65 . 1 1 18 18 VAL HG21 H 1 .11 . . 1 . . . . . . . . 18 1 66 . 1 1 18 18 VAL HG22 H 1 .11 . . 1 . . . . . . . . 18 1 67 . 1 1 18 18 VAL HG23 H 1 .11 . . 1 . . . . . . . . 18 1 68 . 1 1 19 19 ASP H H 1 8.39 . . 1 . . . . . . . . 18 1 69 . 1 1 19 19 ASP HA H 1 4.18 . . 1 . . . . . . . . 18 1 70 . 1 1 19 19 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 18 1 71 . 1 1 19 19 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 18 1 72 . 1 1 20 20 GLN H H 1 7.7 . . 1 . . . . . . . . 18 1 73 . 1 1 20 20 GLN HA H 1 4.12 . . 1 . . . . . . . . 18 1 74 . 1 1 20 20 GLN HB2 H 1 2.49 . . 1 . . . . . . . . 18 1 75 . 1 1 20 20 GLN HB3 H 1 2.49 . . 1 . . . . . . . . 18 1 76 . 1 1 22 22 ARG H H 1 9.06 . . 1 . . . . . . . . 18 1 77 . 1 1 22 22 ARG HA H 1 4.24 . . 1 . . . . . . . . 18 1 78 . 1 1 22 22 ARG HB2 H 1 1.72 . . 2 . . . . . . . . 18 1 79 . 1 1 22 22 ARG HB3 H 1 1.89 . . 2 . . . . . . . . 18 1 80 . 1 1 23 23 GLU H H 1 7.59 . . 1 . . . . . . . . 18 1 81 . 1 1 23 23 GLU HA H 1 4.15 . . 1 . . . . . . . . 18 1 82 . 1 1 23 23 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 18 1 83 . 1 1 23 23 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 18 1 84 . 1 1 24 24 TYR H H 1 8.11 . . 1 . . . . . . . . 18 1 85 . 1 1 24 24 TYR HA H 1 4.19 . . 1 . . . . . . . . 18 1 86 . 1 1 24 24 TYR HB2 H 1 3.11 . . 1 . . . . . . . . 18 1 87 . 1 1 24 24 TYR HB3 H 1 3.21 . . 1 . . . . . . . . 18 1 88 . 1 1 25 25 PHE H H 1 8.62 . . 1 . . . . . . . . 18 1 89 . 1 1 25 25 PHE HA H 1 4.12 . . 1 . . . . . . . . 18 1 90 . 1 1 25 25 PHE HB2 H 1 3.15 . . 2 . . . . . . . . 18 1 91 . 1 1 25 25 PHE HB3 H 1 3.36 . . 2 . . . . . . . . 18 1 92 . 1 1 27 27 LEU H H 1 7.74 . . 1 . . . . . . . . 18 1 93 . 1 1 27 27 LEU HA H 1 4.06 . . 1 . . . . . . . . 18 1 94 . 1 1 27 27 LEU HB2 H 1 1 . . 1 . . . . . . . . 18 1 95 . 1 1 27 27 LEU HB3 H 1 1.41 . . 1 . . . . . . . . 18 1 96 . 1 1 28 28 HIS H H 1 7.8 . . 1 . . . . . . . . 18 1 97 . 1 1 28 28 HIS HA H 1 4.29 . . 1 . . . . . . . . 18 1 98 . 1 1 28 28 HIS HB2 H 1 2.36 . . 1 . . . . . . . . 18 1 99 . 1 1 28 28 HIS HB3 H 1 2.22 . . 1 . . . . . . . . 18 1 100 . 1 1 29 29 TYR H H 1 8.38 . . 1 . . . . . . . . 18 1 101 . 1 1 29 29 TYR HA H 1 5.21 . . 1 . . . . . . . . 18 1 102 . 1 1 29 29 TYR HB2 H 1 3.57 . . 1 . . . . . . . . 18 1 103 . 1 1 29 29 TYR HB3 H 1 2.88 . . 1 . . . . . . . . 18 1 104 . 1 1 31 31 GLN H H 1 9.53 . . 1 . . . . . . . . 18 1 105 . 1 1 31 31 GLN HA H 1 4.27 . . 1 . . . . . . . . 18 1 106 . 1 1 31 31 GLN HB2 H 1 1.98 . . 1 . . . . . . . . 18 1 107 . 1 1 31 31 GLN HB3 H 1 1.98 . . 1 . . . . . . . . 18 1 108 . 1 1 32 32 TYR H H 1 7.35 . . 1 . . . . . . . . 18 1 109 . 1 1 32 32 TYR HA H 1 4.9 . . 1 . . . . . . . . 18 1 110 . 1 1 32 32 TYR HB2 H 1 2.54 . . 2 . . . . . . . . 18 1 111 . 1 1 32 32 TYR HB3 H 1 2.61 . . 2 . . . . . . . . 18 1 112 . 1 1 33 33 ASP H H 1 9.04 . . 1 . . . . . . . . 18 1 113 . 1 1 33 33 ASP HA H 1 4.7 . . 1 . . . . . . . . 18 1 114 . 1 1 33 33 ASP HB2 H 1 2.73 . . 1 . . . . . . . . 18 1 115 . 1 1 33 33 ASP HB3 H 1 2.73 . . 1 . . . . . . . . 18 1 116 . 1 1 34 34 VAL H H 1 8.1 . . 1 . . . . . . . . 18 1 117 . 1 1 34 34 VAL HA H 1 4.54 . . 1 . . . . . . . . 18 1 118 . 1 1 34 34 VAL HB H 1 1.47 . . 1 . . . . . . . . 18 1 119 . 1 1 34 34 VAL HG11 H 1 -.13 . . 1 . . . . . . . . 18 1 120 . 1 1 34 34 VAL HG12 H 1 -.13 . . 1 . . . . . . . . 18 1 121 . 1 1 34 34 VAL HG13 H 1 -.13 . . 1 . . . . . . . . 18 1 122 . 1 1 34 34 VAL HG21 H 1 .23 . . 1 . . . . . . . . 18 1 123 . 1 1 34 34 VAL HG22 H 1 .23 . . 1 . . . . . . . . 18 1 124 . 1 1 34 34 VAL HG23 H 1 .23 . . 1 . . . . . . . . 18 1 125 . 1 1 35 35 TYR H H 1 8.23 . . 1 . . . . . . . . 18 1 126 . 1 1 35 35 TYR HA H 1 4.59 . . 1 . . . . . . . . 18 1 127 . 1 1 35 35 TYR HB2 H 1 2.34 . . 2 . . . . . . . . 18 1 128 . 1 1 35 35 TYR HB3 H 1 2.84 . . 2 . . . . . . . . 18 1 129 . 1 1 36 36 PHE H H 1 8.84 . . 1 . . . . . . . . 18 1 130 . 1 1 36 36 PHE HA H 1 5.27 . . 1 . . . . . . . . 18 1 131 . 1 1 36 36 PHE HB2 H 1 2.78 . . 1 . . . . . . . . 18 1 132 . 1 1 36 36 PHE HB3 H 1 2.98 . . 1 . . . . . . . . 18 1 133 . 1 1 37 37 LEU H H 1 9.25 . . 1 . . . . . . . . 18 1 134 . 1 1 37 37 LEU HA H 1 5.08 . . 1 . . . . . . . . 18 1 135 . 1 1 37 37 LEU HB2 H 1 1.15 . . 1 . . . . . . . . 18 1 136 . 1 1 37 37 LEU HB3 H 1 1.15 . . 1 . . . . . . . . 18 1 137 . 1 1 39 39 GLU H H 1 7.3 . . 1 . . . . . . . . 18 1 138 . 1 1 39 39 GLU HA H 1 4.49 . . 1 . . . . . . . . 18 1 139 . 1 1 39 39 GLU HB2 H 1 2.25 . . 2 . . . . . . . . 18 1 140 . 1 1 39 39 GLU HB3 H 1 1.88 . . 2 . . . . . . . . 18 1 141 . 1 1 41 41 SER H H 1 7.72 . . 1 . . . . . . . . 18 1 142 . 1 1 41 41 SER HA H 1 4.61 . . 1 . . . . . . . . 18 1 143 . 1 1 41 41 SER HB2 H 1 3.86 . . 2 . . . . . . . . 18 1 144 . 1 1 41 41 SER HB3 H 1 3.96 . . 2 . . . . . . . . 18 1 145 . 1 1 43 43 VAL H H 1 8.07 . . 1 . . . . . . . . 18 1 146 . 1 1 43 43 VAL HA H 1 4.57 . . 1 . . . . . . . . 18 1 147 . 1 1 43 43 VAL HB H 1 2.11 . . 1 . . . . . . . . 18 1 148 . 1 1 43 43 VAL HG11 H 1 .84 . . 1 . . . . . . . . 18 1 149 . 1 1 43 43 VAL HG12 H 1 .84 . . 1 . . . . . . . . 18 1 150 . 1 1 43 43 VAL HG13 H 1 .84 . . 1 . . . . . . . . 18 1 151 . 1 1 43 43 VAL HG21 H 1 .95 . . 1 . . . . . . . . 18 1 152 . 1 1 43 43 VAL HG22 H 1 .95 . . 1 . . . . . . . . 18 1 153 . 1 1 43 43 VAL HG23 H 1 .95 . . 1 . . . . . . . . 18 1 154 . 1 1 45 45 LEU H H 1 8.6 . . 1 . . . . . . . . 18 1 155 . 1 1 45 45 LEU HA H 1 4.46 . . 1 . . . . . . . . 18 1 156 . 1 1 45 45 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 18 1 157 . 1 1 45 45 LEU HB3 H 1 1.7 . . 2 . . . . . . . . 18 1 158 . 1 1 46 46 ASP H H 1 8.16 . . 1 . . . . . . . . 18 1 159 . 1 1 46 46 ASP HA H 1 4.45 . . 1 . . . . . . . . 18 1 160 . 1 1 46 46 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 18 1 161 . 1 1 46 46 ASP HB3 H 1 2.74 . . 2 . . . . . . . . 18 1 162 . 1 1 47 47 LEU H H 1 8.13 . . 1 . . . . . . . . 18 1 163 . 1 1 47 47 LEU HA H 1 4.72 . . 1 . . . . . . . . 18 1 164 . 1 1 47 47 LEU HB2 H 1 1.4 . . 2 . . . . . . . . 18 1 165 . 1 1 47 47 LEU HB3 H 1 1.42 . . 2 . . . . . . . . 18 1 166 . 1 1 48 48 ARG H H 1 8.82 . . 1 . . . . . . . . 18 1 167 . 1 1 48 48 ARG HA H 1 4.56 . . 1 . . . . . . . . 18 1 168 . 1 1 48 48 ARG HB2 H 1 1.56 . . 2 . . . . . . . . 18 1 169 . 1 1 48 48 ARG HB3 H 1 1.82 . . 2 . . . . . . . . 18 1 170 . 1 1 49 49 TYR H H 1 8.46 . . 1 . . . . . . . . 18 1 171 . 1 1 49 49 TYR HA H 1 4.28 . . 1 . . . . . . . . 18 1 172 . 1 1 49 49 TYR HB2 H 1 3.31 . . 1 . . . . . . . . 18 1 173 . 1 1 49 49 TYR HB3 H 1 2.85 . . 1 . . . . . . . . 18 1 174 . 1 1 50 50 ASN H H 1 7.94 . . 1 . . . . . . . . 18 1 175 . 1 1 50 50 ASN HA H 1 4.96 . . 1 . . . . . . . . 18 1 176 . 1 1 50 50 ASN HB2 H 1 2.63 . . 2 . . . . . . . . 18 1 177 . 1 1 50 50 ASN HB3 H 1 3.25 . . 2 . . . . . . . . 18 1 178 . 1 1 51 51 ARG H H 1 7.29 . . 1 . . . . . . . . 18 1 179 . 1 1 51 51 ARG HA H 1 5.37 . . 1 . . . . . . . . 18 1 180 . 1 1 51 51 ARG HB2 H 1 1.44 . . 2 . . . . . . . . 18 1 181 . 1 1 51 51 ARG HB3 H 1 2.28 . . 2 . . . . . . . . 18 1 182 . 1 1 52 52 VAL H H 1 8.37 . . 1 . . . . . . . . 18 1 183 . 1 1 52 52 VAL HA H 1 4.13 . . 1 . . . . . . . . 18 1 184 . 1 1 52 52 VAL HB H 1 1.2 . . 1 . . . . . . . . 18 1 185 . 1 1 52 52 VAL HG11 H 1 .19 . . 1 . . . . . . . . 18 1 186 . 1 1 52 52 VAL HG12 H 1 .19 . . 1 . . . . . . . . 18 1 187 . 1 1 52 52 VAL HG13 H 1 .19 . . 1 . . . . . . . . 18 1 188 . 1 1 52 52 VAL HG21 H 1 .19 . . 1 . . . . . . . . 18 1 189 . 1 1 52 52 VAL HG22 H 1 .19 . . 1 . . . . . . . . 18 1 190 . 1 1 52 52 VAL HG23 H 1 .19 . . 1 . . . . . . . . 18 1 191 . 1 1 53 53 ARG H H 1 8.62 . . 1 . . . . . . . . 18 1 192 . 1 1 53 53 ARG HA H 1 4.43 . . 1 . . . . . . . . 18 1 193 . 1 1 53 53 ARG HB2 H 1 1.49 . . 2 . . . . . . . . 18 1 194 . 1 1 53 53 ARG HB3 H 1 1.75 . . 2 . . . . . . . . 18 1 195 . 1 1 54 54 VAL H H 1 8.69 . . 1 . . . . . . . . 18 1 196 . 1 1 54 54 VAL HA H 1 4.13 . . 1 . . . . . . . . 18 1 197 . 1 1 54 54 VAL HB H 1 1.41 . . 1 . . . . . . . . 18 1 198 . 1 1 54 54 VAL HG11 H 1 .18 . . 2 . . . . . . . . 18 1 199 . 1 1 54 54 VAL HG12 H 1 .18 . . 2 . . . . . . . . 18 1 200 . 1 1 54 54 VAL HG13 H 1 .18 . . 2 . . . . . . . . 18 1 201 . 1 1 54 54 VAL HG21 H 1 .98 . . 2 . . . . . . . . 18 1 202 . 1 1 54 54 VAL HG22 H 1 .98 . . 2 . . . . . . . . 18 1 203 . 1 1 54 54 VAL HG23 H 1 .98 . . 2 . . . . . . . . 18 1 204 . 1 1 55 55 PHE H H 1 9.21 . . 1 . . . . . . . . 18 1 205 . 1 1 55 55 PHE HA H 1 6.08 . . 1 . . . . . . . . 18 1 206 . 1 1 55 55 PHE HB2 H 1 2.83 . . 2 . . . . . . . . 18 1 207 . 1 1 55 55 PHE HB3 H 1 2.72 . . 2 . . . . . . . . 18 1 208 . 1 1 56 56 TYR H H 1 8.13 . . 1 . . . . . . . . 18 1 209 . 1 1 56 56 TYR HA H 1 5.55 . . 1 . . . . . . . . 18 1 210 . 1 1 56 56 TYR HB2 H 1 2.64 . . 1 . . . . . . . . 18 1 211 . 1 1 56 56 TYR HB3 H 1 2.48 . . 1 . . . . . . . . 18 1 212 . 1 1 57 57 ASN H H 1 8.6 . . 1 . . . . . . . . 18 1 213 . 1 1 57 57 ASN HA H 1 5.01 . . 1 . . . . . . . . 18 1 214 . 1 1 57 57 ASN HB2 H 1 2.81 . . 2 . . . . . . . . 18 1 215 . 1 1 57 57 ASN HB3 H 1 3.43 . . 2 . . . . . . . . 18 1 216 . 1 1 61 61 ASN H H 1 8.89 . . 1 . . . . . . . . 18 1 217 . 1 1 61 61 ASN HA H 1 4.35 . . 1 . . . . . . . . 18 1 218 . 1 1 61 61 ASN HB2 H 1 3.01 . . 2 . . . . . . . . 18 1 219 . 1 1 61 61 ASN HB3 H 1 3.06 . . 2 . . . . . . . . 18 1 220 . 1 1 62 62 VAL H H 1 7.41 . . 1 . . . . . . . . 18 1 221 . 1 1 62 62 VAL HA H 1 4.4 . . 1 . . . . . . . . 18 1 222 . 1 1 62 62 VAL HB H 1 1.88 . . 1 . . . . . . . . 18 1 223 . 1 1 62 62 VAL HG11 H 1 .75 . . 1 . . . . . . . . 18 1 224 . 1 1 62 62 VAL HG12 H 1 .75 . . 1 . . . . . . . . 18 1 225 . 1 1 62 62 VAL HG13 H 1 .75 . . 1 . . . . . . . . 18 1 226 . 1 1 62 62 VAL HG21 H 1 .86 . . 1 . . . . . . . . 18 1 227 . 1 1 62 62 VAL HG22 H 1 .86 . . 1 . . . . . . . . 18 1 228 . 1 1 62 62 VAL HG23 H 1 .86 . . 1 . . . . . . . . 18 1 229 . 1 1 63 63 VAL H H 1 8.87 . . 1 . . . . . . . . 18 1 230 . 1 1 63 63 VAL HA H 1 4.17 . . 1 . . . . . . . . 18 1 231 . 1 1 63 63 VAL HB H 1 2.62 . . 1 . . . . . . . . 18 1 232 . 1 1 63 63 VAL HG11 H 1 1.23 . . 1 . . . . . . . . 18 1 233 . 1 1 63 63 VAL HG12 H 1 1.23 . . 1 . . . . . . . . 18 1 234 . 1 1 63 63 VAL HG13 H 1 1.23 . . 1 . . . . . . . . 18 1 235 . 1 1 63 63 VAL HG21 H 1 .95 . . 1 . . . . . . . . 18 1 236 . 1 1 63 63 VAL HG22 H 1 .95 . . 1 . . . . . . . . 18 1 237 . 1 1 63 63 VAL HG23 H 1 .95 . . 1 . . . . . . . . 18 1 238 . 1 1 64 64 ASN H H 1 8.91 . . 1 . . . . . . . . 18 1 239 . 1 1 64 64 ASN HA H 1 5.01 . . 1 . . . . . . . . 18 1 240 . 1 1 64 64 ASN HB2 H 1 2.56 . . 2 . . . . . . . . 18 1 241 . 1 1 64 64 ASN HB3 H 1 2.83 . . 2 . . . . . . . . 18 1 242 . 1 1 65 65 HIS H H 1 7.77 . . 1 . . . . . . . . 18 1 243 . 1 1 65 65 HIS HA H 1 4.92 . . 1 . . . . . . . . 18 1 244 . 1 1 65 65 HIS HB2 H 1 3.14 . . 2 . . . . . . . . 18 1 245 . 1 1 65 65 HIS HB3 H 1 3.27 . . 2 . . . . . . . . 18 1 246 . 1 1 66 66 VAL H H 1 9.17 . . 1 . . . . . . . . 18 1 247 . 1 1 66 66 VAL HA H 1 3.79 . . 1 . . . . . . . . 18 1 248 . 1 1 66 66 VAL HB H 1 2.21 . . 1 . . . . . . . . 18 1 249 . 1 1 66 66 VAL HG11 H 1 .92 . . 2 . . . . . . . . 18 1 250 . 1 1 66 66 VAL HG12 H 1 .92 . . 2 . . . . . . . . 18 1 251 . 1 1 66 66 VAL HG13 H 1 .92 . . 2 . . . . . . . . 18 1 252 . 1 1 66 66 VAL HG21 H 1 1.18 . . 2 . . . . . . . . 18 1 253 . 1 1 66 66 VAL HG22 H 1 1.18 . . 2 . . . . . . . . 18 1 254 . 1 1 66 66 VAL HG23 H 1 1.18 . . 2 . . . . . . . . 18 1 255 . 1 1 68 68 HIS H H 1 8.82 . . 1 . . . . . . . . 18 1 256 . 1 1 68 68 HIS HA H 1 5.68 . . 1 . . . . . . . . 18 1 257 . 1 1 68 68 HIS HB2 H 1 3.17 . . 1 . . . . . . . . 18 1 258 . 1 1 68 68 HIS HB3 H 1 3.29 . . 1 . . . . . . . . 18 1 259 . 1 1 69 69 VAL H H 1 8.53 . . 1 . . . . . . . . 18 1 260 . 1 1 69 69 VAL HA H 1 4.67 . . 1 . . . . . . . . 18 1 261 . 1 1 69 69 VAL HB H 1 2.15 . . 1 . . . . . . . . 18 1 262 . 1 1 69 69 VAL HG11 H 1 1.18 . . 1 . . . . . . . . 18 1 263 . 1 1 69 69 VAL HG12 H 1 1.18 . . 1 . . . . . . . . 18 1 264 . 1 1 69 69 VAL HG13 H 1 1.18 . . 1 . . . . . . . . 18 1 265 . 1 1 69 69 VAL HG21 H 1 1.09 . . 1 . . . . . . . . 18 1 266 . 1 1 69 69 VAL HG22 H 1 1.09 . . 1 . . . . . . . . 18 1 267 . 1 1 69 69 VAL HG23 H 1 1.09 . . 1 . . . . . . . . 18 1 stop_ save_