################################### # 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 1580 _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 . 1580 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 5 5 GLY H H 1 8.08 . . 1 . . . . . . . . 1580 1 2 . 1 1 5 5 GLY HA2 H 1 4 . . 1 . . . . . . . . 1580 1 3 . 1 1 5 5 GLY HA3 H 1 4 . . 1 . . . . . . . . 1580 1 4 . 1 1 6 6 LEU H H 1 8.87 . . 1 . . . . . . . . 1580 1 5 . 1 1 6 6 LEU CA C 13 51.8 . . 1 . . . . . . . . 1580 1 6 . 1 1 6 6 LEU HA H 1 5.96 . . 1 . . . . . . . . 1580 1 7 . 1 1 6 6 LEU CB C 13 42.2 . . 1 . . . . . . . . 1580 1 8 . 1 1 6 6 LEU HB2 H 1 1.9 . . 2 . . . . . . . . 1580 1 9 . 1 1 6 6 LEU HB3 H 1 1.21 . . 2 . . . . . . . . 1580 1 10 . 1 1 7 7 PHE H H 1 9.52 . . 1 . . . . . . . . 1580 1 11 . 1 1 7 7 PHE CA C 13 53.8 . . 1 . . . . . . . . 1580 1 12 . 1 1 7 7 PHE HA H 1 5.54 . . 1 . . . . . . . . 1580 1 13 . 1 1 7 7 PHE CB C 13 38.9 . . 1 . . . . . . . . 1580 1 14 . 1 1 7 7 PHE HB2 H 1 3.21 . . 2 . . . . . . . . 1580 1 15 . 1 1 7 7 PHE HB3 H 1 2.72 . . 2 . . . . . . . . 1580 1 16 . 1 1 8 8 TYR H H 1 8.94 . . 1 . . . . . . . . 1580 1 17 . 1 1 8 8 TYR CA C 13 52.8 . . 1 . . . . . . . . 1580 1 18 . 1 1 8 8 TYR HA H 1 6.65 . . 1 . . . . . . . . 1580 1 19 . 1 1 9 9 GLY H H 1 8.93 . . 1 . . . . . . . . 1580 1 20 . 1 1 9 9 GLY CA C 13 41.6 . . 1 . . . . . . . . 1580 1 21 . 1 1 9 9 GLY HA2 H 1 4.91 . . 2 . . . . . . . . 1580 1 22 . 1 1 9 9 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 1580 1 23 . 1 1 33 33 LEU HA H 1 4.79 . . 1 . . . . . . . . 1580 1 24 . 1 1 34 34 HIS H H 1 9.24 . . 1 . . . . . . . . 1580 1 25 . 1 1 34 34 HIS HA H 1 4.26 . . 1 . . . . . . . . 1580 1 26 . 1 1 34 34 HIS CB C 13 29.6 . . 1 . . . . . . . . 1580 1 27 . 1 1 34 34 HIS CG C 13 126.8 . . 1 . . . . . . . . 1580 1 28 . 1 1 34 34 HIS ND1 N 15 177.5 . . 1 . . . . . . . . 1580 1 29 . 1 1 34 34 HIS CD2 C 13 123.5 . . 1 . . . . . . . . 1580 1 30 . 1 1 34 34 HIS CE1 C 13 134.6 . . 1 . . . . . . . . 1580 1 31 . 1 1 34 34 HIS NE2 N 15 231.5 . . 1 . . . . . . . . 1580 1 32 . 1 1 34 34 HIS HD2 H 1 5.83 . . 1 . . . . . . . . 1580 1 33 . 1 1 34 34 HIS HE1 H 1 7.78 . . 1 . . . . . . . . 1580 1 34 . 1 1 35 35 ASP H H 1 8.26 . . 1 . . . . . . . . 1580 1 35 . 1 1 35 35 ASP HA H 1 3.71 . . 1 . . . . . . . . 1580 1 36 . 1 1 36 36 VAL H H 1 9.16 . . 1 . . . . . . . . 1580 1 37 . 1 1 36 36 VAL CA C 13 62.7 . . 1 . . . . . . . . 1580 1 38 . 1 1 36 36 VAL HA H 1 3.7 . . 1 . . . . . . . . 1580 1 39 . 1 1 36 36 VAL CB C 13 28.3 . . 1 . . . . . . . . 1580 1 40 . 1 1 36 36 VAL CG1 C 13 20.1 . . 2 . . . . . . . . 1580 1 41 . 1 1 36 36 VAL CG2 C 13 15.5 . . 2 . . . . . . . . 1580 1 42 . 1 1 36 36 VAL HB H 1 1.61 . . 1 . . . . . . . . 1580 1 43 . 1 1 36 36 VAL HG11 H 1 .07 . . 2 . . . . . . . . 1580 1 44 . 1 1 36 36 VAL HG12 H 1 .07 . . 2 . . . . . . . . 1580 1 45 . 1 1 36 36 VAL HG13 H 1 .07 . . 2 . . . . . . . . 1580 1 46 . 1 1 36 36 VAL HG21 H 1 .14 . . 2 . . . . . . . . 1580 1 47 . 1 1 36 36 VAL HG22 H 1 .14 . . 2 . . . . . . . . 1580 1 48 . 1 1 36 36 VAL HG23 H 1 .14 . . 2 . . . . . . . . 1580 1 49 . 1 1 49 49 TYR H H 1 6.99 . . 1 . . . . . . . . 1580 1 50 . 1 1 49 49 TYR CA C 13 52.7 . . 1 . . . . . . . . 1580 1 51 . 1 1 49 49 TYR HA H 1 5.27 . . 1 . . . . . . . . 1580 1 52 . 1 1 49 49 TYR CB C 13 37.7 . . 1 . . . . . . . . 1580 1 53 . 1 1 49 49 TYR CG C 13 128.2 . . 1 . . . . . . . . 1580 1 54 . 1 1 49 49 TYR HB2 H 1 2.69 . . 1 . . . . . . . . 1580 1 55 . 1 1 49 49 TYR HB3 H 1 2.69 . . 1 . . . . . . . . 1580 1 56 . 1 1 49 49 TYR CD1 C 13 130.9 . . 1 . . . . . . . . 1580 1 57 . 1 1 49 49 TYR CD2 C 13 130.9 . . 1 . . . . . . . . 1580 1 58 . 1 1 49 49 TYR CE1 C 13 115.7 . . 1 . . . . . . . . 1580 1 59 . 1 1 49 49 TYR HD1 H 1 6.92 . . 1 . . . . . . . . 1580 1 60 . 1 1 49 49 TYR CE2 C 13 115.7 . . 1 . . . . . . . . 1580 1 61 . 1 1 49 49 TYR HD2 H 1 6.92 . . 1 . . . . . . . . 1580 1 62 . 1 1 49 49 TYR CZ C 13 155 . . 1 . . . . . . . . 1580 1 63 . 1 1 49 49 TYR HE1 H 1 6.92 . . 1 . . . . . . . . 1580 1 64 . 1 1 49 49 TYR HE2 H 1 6.92 . . 1 . . . . . . . . 1580 1 65 . 1 1 50 50 LEU H H 1 8.95 . . 1 . . . . . . . . 1580 1 66 . 1 1 50 50 LEU CA C 13 50.8 . . 1 . . . . . . . . 1580 1 67 . 1 1 50 50 LEU HA H 1 5.6 . . 1 . . . . . . . . 1580 1 68 . 1 1 50 50 LEU CB C 13 47 . . 1 . . . . . . . . 1580 1 69 . 1 1 50 50 LEU CG C 13 25.7 . . 1 . . . . . . . . 1580 1 70 . 1 1 50 50 LEU HB2 H 1 1.96 . . 2 . . . . . . . . 1580 1 71 . 1 1 50 50 LEU HB3 H 1 1.39 . . 2 . . . . . . . . 1580 1 72 . 1 1 50 50 LEU CD1 C 13 25.4 . . 2 . . . . . . . . 1580 1 73 . 1 1 50 50 LEU CD2 C 13 24.7 . . 2 . . . . . . . . 1580 1 74 . 1 1 50 50 LEU HD11 H 1 1.17 . . 2 . . . . . . . . 1580 1 75 . 1 1 50 50 LEU HD12 H 1 1.17 . . 2 . . . . . . . . 1580 1 76 . 1 1 50 50 LEU HD13 H 1 1.17 . . 2 . . . . . . . . 1580 1 77 . 1 1 50 50 LEU HD21 H 1 1.04 . . 2 . . . . . . . . 1580 1 78 . 1 1 50 50 LEU HD22 H 1 1.04 . . 2 . . . . . . . . 1580 1 79 . 1 1 50 50 LEU HD23 H 1 1.04 . . 2 . . . . . . . . 1580 1 80 . 1 1 51 51 ILE H H 1 9.05 . . 1 . . . . . . . . 1580 1 81 . 1 1 51 51 ILE CA C 13 58.2 . . 1 . . . . . . . . 1580 1 82 . 1 1 51 51 ILE HA H 1 5 . . 1 . . . . . . . . 1580 1 83 . 1 1 51 51 ILE CB C 13 39.3 . . 1 . . . . . . . . 1580 1 84 . 1 1 51 51 ILE CG1 C 13 25.5 . . 1 . . . . . . . . 1580 1 85 . 1 1 51 51 ILE CG2 C 13 17.1 . . 1 . . . . . . . . 1580 1 86 . 1 1 51 51 ILE HB H 1 1.52 . . 1 . . . . . . . . 1580 1 87 . 1 1 51 51 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 1580 1 88 . 1 1 51 51 ILE HG12 H 1 1.63 . . 2 . . . . . . . . 1580 1 89 . 1 1 51 51 ILE HG13 H 1 1.03 . . 2 . . . . . . . . 1580 1 90 . 1 1 51 51 ILE HD11 H 1 .74 . . 1 . . . . . . . . 1580 1 91 . 1 1 51 51 ILE HD12 H 1 .74 . . 1 . . . . . . . . 1580 1 92 . 1 1 51 51 ILE HD13 H 1 .74 . . 1 . . . . . . . . 1580 1 93 . 1 1 52 52 ILE H H 1 9.65 . . 1 . . . . . . . . 1580 1 94 . 1 1 52 52 ILE CA C 13 55.7 . . 1 . . . . . . . . 1580 1 95 . 1 1 52 52 ILE HA H 1 5.01 . . 1 . . . . . . . . 1580 1 96 . 1 1 52 52 ILE CB C 13 35.3 . . 1 . . . . . . . . 1580 1 97 . 1 1 52 52 ILE CG1 C 13 24.6 . . 1 . . . . . . . . 1580 1 98 . 1 1 52 52 ILE CG2 C 13 15.8 . . 1 . . . . . . . . 1580 1 99 . 1 1 52 52 ILE HB H 1 1.9 . . 1 . . . . . . . . 1580 1 100 . 1 1 52 52 ILE CD1 C 13 8.3 . . 1 . . . . . . . . 1580 1 101 . 1 1 52 52 ILE HG12 H 1 1.31 . . 2 . . . . . . . . 1580 1 102 . 1 1 52 52 ILE HG13 H 1 .94 . . 2 . . . . . . . . 1580 1 103 . 1 1 52 52 ILE HD11 H 1 .84 . . 1 . . . . . . . . 1580 1 104 . 1 1 52 52 ILE HD12 H 1 .84 . . 1 . . . . . . . . 1580 1 105 . 1 1 52 52 ILE HD13 H 1 .84 . . 1 . . . . . . . . 1580 1 106 . 1 1 53 53 GLY H H 1 9.33 . . 1 . . . . . . . . 1580 1 107 . 1 1 53 53 GLY CA C 13 41.6 . . 1 . . . . . . . . 1580 1 108 . 1 1 53 53 GLY HA2 H 1 4.62 . . 2 . . . . . . . . 1580 1 109 . 1 1 53 53 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 1580 1 110 . 1 1 54 54 CYS H H 1 8.16 . . 1 . . . . . . . . 1580 1 111 . 1 1 54 54 CYS CA C 13 55 . . 1 . . . . . . . . 1580 1 112 . 1 1 54 54 CYS HA H 1 5.35 . . 1 . . . . . . . . 1580 1 113 . 1 1 55 55 PRO CA C 13 60.5 . . 1 . . . . . . . . 1580 1 114 . 1 1 55 55 PRO HA H 1 5.5 . . 1 . . . . . . . . 1580 1 115 . 1 1 56 56 THR H H 1 6.69 . . 1 . . . . . . . . 1580 1 116 . 1 1 56 56 THR CA C 13 59.9 . . 1 . . . . . . . . 1580 1 117 . 1 1 56 56 THR HA H 1 4.63 . . 1 . . . . . . . . 1580 1 118 . 1 1 56 56 THR CB C 13 67 . . 1 . . . . . . . . 1580 1 119 . 1 1 56 56 THR CG2 C 13 20.4 . . 1 . . . . . . . . 1580 1 120 . 1 1 56 56 THR HB H 1 3.64 . . 1 . . . . . . . . 1580 1 121 . 1 1 56 56 THR HG21 H 1 1.3 . . 1 . . . . . . . . 1580 1 122 . 1 1 56 56 THR HG22 H 1 1.3 . . 1 . . . . . . . . 1580 1 123 . 1 1 56 56 THR HG23 H 1 1.3 . . 1 . . . . . . . . 1580 1 124 . 1 1 57 57 TRP H H 1 8.64 . . 1 . . . . . . . . 1580 1 125 . 1 1 57 57 TRP CA C 13 54.2 . . 1 . . . . . . . . 1580 1 126 . 1 1 57 57 TRP HA H 1 2.94 . . 1 . . . . . . . . 1580 1 127 . 1 1 57 57 TRP CB C 13 32 . . 1 . . . . . . . . 1580 1 128 . 1 1 57 57 TRP CG C 13 112 . . 1 . . . . . . . . 1580 1 129 . 1 1 57 57 TRP CD1 C 13 119.5 . . 1 . . . . . . . . 1580 1 130 . 1 1 57 57 TRP CD2 C 13 126.2 . . 1 . . . . . . . . 1580 1 131 . 1 1 57 57 TRP NE1 N 15 131.6 . . 1 . . . . . . . . 1580 1 132 . 1 1 57 57 TRP HD1 H 1 6.4 . . 1 . . . . . . . . 1580 1 133 . 1 1 57 57 TRP CE2 C 13 137.3 . . 1 . . . . . . . . 1580 1 134 . 1 1 57 57 TRP HE1 H 1 11.05 . . 1 . . . . . . . . 1580 1 135 . 1 1 57 57 TRP CE3 C 13 116.5 . . 1 . . . . . . . . 1580 1 136 . 1 1 57 57 TRP CZ2 C 13 114 . . 1 . . . . . . . . 1580 1 137 . 1 1 57 57 TRP CZ3 C 13 120.4 . . 1 . . . . . . . . 1580 1 138 . 1 1 57 57 TRP HE3 H 1 6.97 . . 1 . . . . . . . . 1580 1 139 . 1 1 57 57 TRP CH2 C 13 122.8 . . 1 . . . . . . . . 1580 1 140 . 1 1 57 57 TRP HZ2 H 1 8.13 . . 1 . . . . . . . . 1580 1 141 . 1 1 57 57 TRP HZ3 H 1 7.09 . . 1 . . . . . . . . 1580 1 142 . 1 1 57 57 TRP HH2 H 1 7.35 . . 1 . . . . . . . . 1580 1 143 . 1 1 58 58 ASN H H 1 6.41 . . 1 . . . . . . . . 1580 1 144 . 1 1 59 59 ILE H H 1 8.17 . . 1 . . . . . . . . 1580 1 145 . 1 1 59 59 ILE CA C 13 57.2 . . 1 . . . . . . . . 1580 1 146 . 1 1 59 59 ILE HA H 1 3.93 . . 1 . . . . . . . . 1580 1 147 . 1 1 59 59 ILE CB C 13 32.2 . . 1 . . . . . . . . 1580 1 148 . 1 1 59 59 ILE CG1 C 13 26.3 . . 1 . . . . . . . . 1580 1 149 . 1 1 59 59 ILE CG2 C 13 18 . . 1 . . . . . . . . 1580 1 150 . 1 1 59 59 ILE HB H 1 2.73 . . 1 . . . . . . . . 1580 1 151 . 1 1 59 59 ILE CD1 C 13 11.9 . . 1 . . . . . . . . 1580 1 152 . 1 1 59 59 ILE HG12 H 1 1.28 . . 1 . . . . . . . . 1580 1 153 . 1 1 59 59 ILE HG13 H 1 1.28 . . 1 . . . . . . . . 1580 1 154 . 1 1 59 59 ILE HG21 H 1 1 . . 1 . . . . . . . . 1580 1 155 . 1 1 59 59 ILE HG22 H 1 1 . . 1 . . . . . . . . 1580 1 156 . 1 1 59 59 ILE HG23 H 1 1 . . 1 . . . . . . . . 1580 1 157 . 1 1 59 59 ILE HD11 H 1 .96 . . 1 . . . . . . . . 1580 1 158 . 1 1 59 59 ILE HD12 H 1 .96 . . 1 . . . . . . . . 1580 1 159 . 1 1 59 59 ILE HD13 H 1 .96 . . 1 . . . . . . . . 1580 1 160 . 1 1 81 81 LYS H H 1 7.53 . . 1 . . . . . . . . 1580 1 161 . 1 1 81 81 LYS HA H 1 4.9 . . 1 . . . . . . . . 1580 1 162 . 1 1 82 82 LEU H H 1 8.05 . . 1 . . . . . . . . 1580 1 163 . 1 1 82 82 LEU CA C 13 52.5 . . 1 . . . . . . . . 1580 1 164 . 1 1 82 82 LEU HA H 1 5.5 . . 1 . . . . . . . . 1580 1 165 . 1 1 82 82 LEU CB C 13 42.4 . . 1 . . . . . . . . 1580 1 166 . 1 1 82 82 LEU HB2 H 1 2.21 . . 2 . . . . . . . . 1580 1 167 . 1 1 82 82 LEU HB3 H 1 1.8 . . 2 . . . . . . . . 1580 1 168 . 1 1 83 83 VAL H H 1 8.99 . . 1 . . . . . . . . 1580 1 169 . 1 1 83 83 VAL CA C 13 59 . . 1 . . . . . . . . 1580 1 170 . 1 1 83 83 VAL HA H 1 5.06 . . 1 . . . . . . . . 1580 1 171 . 1 1 83 83 VAL CB C 13 32.4 . . 1 . . . . . . . . 1580 1 172 . 1 1 83 83 VAL CG1 C 13 20.1 . . 2 . . . . . . . . 1580 1 173 . 1 1 83 83 VAL CG2 C 13 18.5 . . 2 . . . . . . . . 1580 1 174 . 1 1 83 83 VAL HB H 1 1.94 . . 1 . . . . . . . . 1580 1 175 . 1 1 83 83 VAL HG11 H 1 .75 . . 2 . . . . . . . . 1580 1 176 . 1 1 83 83 VAL HG12 H 1 .75 . . 2 . . . . . . . . 1580 1 177 . 1 1 83 83 VAL HG13 H 1 .75 . . 2 . . . . . . . . 1580 1 178 . 1 1 83 83 VAL HG21 H 1 .58 . . 2 . . . . . . . . 1580 1 179 . 1 1 83 83 VAL HG22 H 1 .58 . . 2 . . . . . . . . 1580 1 180 . 1 1 83 83 VAL HG23 H 1 .58 . . 2 . . . . . . . . 1580 1 181 . 1 1 84 84 ALA H H 1 8.84 . . 1 . . . . . . . . 1580 1 182 . 1 1 84 84 ALA CA C 13 47.2 . . 1 . . . . . . . . 1580 1 183 . 1 1 84 84 ALA HA H 1 5.6 . . 1 . . . . . . . . 1580 1 184 . 1 1 84 84 ALA CB C 13 23.4 . . 1 . . . . . . . . 1580 1 185 . 1 1 84 84 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 1580 1 186 . 1 1 84 84 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 1580 1 187 . 1 1 84 84 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 1580 1 188 . 1 1 85 85 TYR H H 1 10.89 . . 1 . . . . . . . . 1580 1 189 . 1 1 85 85 TYR CA C 13 55.2 . . 1 . . . . . . . . 1580 1 190 . 1 1 85 85 TYR HA H 1 5.69 . . 1 . . . . . . . . 1580 1 191 . 1 1 85 85 TYR CB C 13 41.2 . . 1 . . . . . . . . 1580 1 192 . 1 1 85 85 TYR HB2 H 1 2.49 . . 1 . . . . . . . . 1580 1 193 . 1 1 85 85 TYR HB3 H 1 2.49 . . 1 . . . . . . . . 1580 1 194 . 1 1 86 86 PHE H H 1 9.37 . . 1 . . . . . . . . 1580 1 195 . 1 1 86 86 PHE CA C 13 56.2 . . 1 . . . . . . . . 1580 1 196 . 1 1 86 86 PHE HA H 1 5.08 . . 1 . . . . . . . . 1580 1 197 . 1 1 86 86 PHE CB C 13 40.4 . . 1 . . . . . . . . 1580 1 198 . 1 1 86 86 PHE HB2 H 1 3.46 . . 2 . . . . . . . . 1580 1 199 . 1 1 86 86 PHE HB3 H 1 2.85 . . 2 . . . . . . . . 1580 1 200 . 1 1 87 87 GLY H H 1 8.09 . . 1 . . . . . . . . 1580 1 201 . 1 1 87 87 GLY CA C 13 42.9 . . 1 . . . . . . . . 1580 1 202 . 1 1 87 87 GLY HA2 H 1 4.16 . . 2 . . . . . . . . 1580 1 203 . 1 1 87 87 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 1580 1 204 . 1 1 88 88 THR H H 1 6.33 . . 1 . . . . . . . . 1580 1 205 . 1 1 88 88 THR CA C 13 57 . . 1 . . . . . . . . 1580 1 206 . 1 1 88 88 THR HA H 1 5.28 . . 1 . . . . . . . . 1580 1 207 . 1 1 88 88 THR CB C 13 67.4 . . 1 . . . . . . . . 1580 1 208 . 1 1 88 88 THR CG2 C 13 21.1 . . 1 . . . . . . . . 1580 1 209 . 1 1 88 88 THR HB H 1 4.47 . . 1 . . . . . . . . 1580 1 210 . 1 1 88 88 THR HG21 H 1 1.17 . . 1 . . . . . . . . 1580 1 211 . 1 1 88 88 THR HG22 H 1 1.17 . . 1 . . . . . . . . 1580 1 212 . 1 1 88 88 THR HG23 H 1 1.17 . . 1 . . . . . . . . 1580 1 213 . 1 1 89 89 GLY H H 1 7.85 . . 1 . . . . . . . . 1580 1 214 . 1 1 92 92 ILE H H 1 7.27 . . 1 . . . . . . . . 1580 1 215 . 1 1 92 92 ILE CA C 13 59.3 . . 1 . . . . . . . . 1580 1 216 . 1 1 92 92 ILE HA H 1 3.99 . . 1 . . . . . . . . 1580 1 217 . 1 1 92 92 ILE CB C 13 35.3 . . 1 . . . . . . . . 1580 1 218 . 1 1 92 92 ILE CG1 C 13 25.3 . . 1 . . . . . . . . 1580 1 219 . 1 1 92 92 ILE CG2 C 13 14.6 . . 1 . . . . . . . . 1580 1 220 . 1 1 92 92 ILE HB H 1 1.85 . . 1 . . . . . . . . 1580 1 221 . 1 1 92 92 ILE CD1 C 13 8.1 . . 1 . . . . . . . . 1580 1 222 . 1 1 92 92 ILE HG12 H 1 1.41 . . 2 . . . . . . . . 1580 1 223 . 1 1 92 92 ILE HG13 H 1 1.29 . . 2 . . . . . . . . 1580 1 224 . 1 1 92 92 ILE HG21 H 1 .85 . . 1 . . . . . . . . 1580 1 225 . 1 1 92 92 ILE HG22 H 1 .85 . . 1 . . . . . . . . 1580 1 226 . 1 1 92 92 ILE HG23 H 1 .85 . . 1 . . . . . . . . 1580 1 227 . 1 1 92 92 ILE HD11 H 1 .78 . . 1 . . . . . . . . 1580 1 228 . 1 1 92 92 ILE HD12 H 1 .78 . . 1 . . . . . . . . 1580 1 229 . 1 1 92 92 ILE HD13 H 1 .78 . . 1 . . . . . . . . 1580 1 230 . 1 1 93 93 GLY H H 1 9.11 . . 1 . . . . . . . . 1580 1 231 . 1 1 93 93 GLY CA C 13 43.8 . . 1 . . . . . . . . 1580 1 232 . 1 1 93 93 GLY HA2 H 1 3.48 . . 2 . . . . . . . . 1580 1 233 . 1 1 93 93 GLY HA3 H 1 3.06 . . 2 . . . . . . . . 1580 1 234 . 1 1 94 94 TYR H H 1 6.89 . . 1 . . . . . . . . 1580 1 235 . 1 1 94 94 TYR CA C 13 54.5 . . 1 . . . . . . . . 1580 1 236 . 1 1 94 94 TYR HA H 1 4.62 . . 1 . . . . . . . . 1580 1 237 . 1 1 94 94 TYR CB C 13 34.7 . . 1 . . . . . . . . 1580 1 238 . 1 1 94 94 TYR CG C 13 129.2 . . 1 . . . . . . . . 1580 1 239 . 1 1 94 94 TYR HB2 H 1 2.72 . . 2 . . . . . . . . 1580 1 240 . 1 1 94 94 TYR HB3 H 1 2.55 . . 2 . . . . . . . . 1580 1 241 . 1 1 94 94 TYR CD1 C 13 130.6 . . 1 . . . . . . . . 1580 1 242 . 1 1 94 94 TYR CD2 C 13 131 . . 1 . . . . . . . . 1580 1 243 . 1 1 94 94 TYR CE1 C 13 112.7 . . 1 . . . . . . . . 1580 1 244 . 1 1 94 94 TYR HD1 H 1 6.41 . . 1 . . . . . . . . 1580 1 245 . 1 1 94 94 TYR CE2 C 13 116.1 . . 1 . . . . . . . . 1580 1 246 . 1 1 94 94 TYR HD2 H 1 6.83 . . 1 . . . . . . . . 1580 1 247 . 1 1 94 94 TYR CZ C 13 155 . . 1 . . . . . . . . 1580 1 248 . 1 1 94 94 TYR HE1 H 1 5.55 . . 1 . . . . . . . . 1580 1 249 . 1 1 94 94 TYR HE2 H 1 6.48 . . 1 . . . . . . . . 1580 1 250 . 1 1 95 95 ALA H H 1 7.42 . . 1 . . . . . . . . 1580 1 251 . 1 1 95 95 ALA CA C 13 53.1 . . 1 . . . . . . . . 1580 1 252 . 1 1 95 95 ALA HA H 1 4.29 . . 1 . . . . . . . . 1580 1 253 . 1 1 95 95 ALA CB C 13 18.3 . . 1 . . . . . . . . 1580 1 254 . 1 1 95 95 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 1580 1 255 . 1 1 95 95 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 1580 1 256 . 1 1 95 95 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 1580 1 257 . 1 1 96 96 ASP H H 1 8.45 . . 1 . . . . . . . . 1580 1 258 . 1 1 97 97 ASN H H 1 7.9 . . 1 . . . . . . . . 1580 1 259 . 1 1 97 97 ASN CA C 13 51.6 . . 1 . . . . . . . . 1580 1 260 . 1 1 97 97 ASN HA H 1 5.47 . . 1 . . . . . . . . 1580 1 261 . 1 1 98 98 PHE H H 1 7.74 . . 1 . . . . . . . . 1580 1 262 . 1 1 98 98 PHE CA C 13 54.6 . . 1 . . . . . . . . 1580 1 263 . 1 1 98 98 PHE HA H 1 5.34 . . 1 . . . . . . . . 1580 1 264 . 1 1 99 99 GLN H H 1 7.46 . . 1 . . . . . . . . 1580 1 265 . 1 1 115 115 LYS H H 1 6.83 . . 1 . . . . . . . . 1580 1 266 . 1 1 115 115 LYS HA H 1 3.79 . . 1 . . . . . . . . 1580 1 267 . 1 1 116 116 THR H H 1 8.63 . . 1 . . . . . . . . 1580 1 268 . 1 1 116 116 THR CA C 13 61.2 . . 1 . . . . . . . . 1580 1 269 . 1 1 116 116 THR HA H 1 5.36 . . 1 . . . . . . . . 1580 1 270 . 1 1 116 116 THR CB C 13 67 . . 1 . . . . . . . . 1580 1 271 . 1 1 116 116 THR CG2 C 13 22.1 . . 1 . . . . . . . . 1580 1 272 . 1 1 116 116 THR HB H 1 4.23 . . 1 . . . . . . . . 1580 1 273 . 1 1 116 116 THR HG21 H 1 1.01 . . 1 . . . . . . . . 1580 1 274 . 1 1 116 116 THR HG22 H 1 1.01 . . 1 . . . . . . . . 1580 1 275 . 1 1 116 116 THR HG23 H 1 1.01 . . 1 . . . . . . . . 1580 1 276 . 1 1 117 117 VAL H H 1 8.93 . . 1 . . . . . . . . 1580 1 277 . 1 1 117 117 VAL CA C 13 57.1 . . 1 . . . . . . . . 1580 1 278 . 1 1 117 117 VAL HA H 1 4.63 . . 1 . . . . . . . . 1580 1 279 . 1 1 117 117 VAL CB C 13 32.3 . . 1 . . . . . . . . 1580 1 280 . 1 1 117 117 VAL CG1 C 13 20.7 . . 2 . . . . . . . . 1580 1 281 . 1 1 117 117 VAL CG2 C 13 17.3 . . 2 . . . . . . . . 1580 1 282 . 1 1 117 117 VAL HB H 1 2.24 . . 1 . . . . . . . . 1580 1 283 . 1 1 117 117 VAL HG11 H 1 1.03 . . 2 . . . . . . . . 1580 1 284 . 1 1 117 117 VAL HG12 H 1 1.03 . . 2 . . . . . . . . 1580 1 285 . 1 1 117 117 VAL HG13 H 1 1.03 . . 2 . . . . . . . . 1580 1 286 . 1 1 117 117 VAL HG21 H 1 .47 . . 2 . . . . . . . . 1580 1 287 . 1 1 117 117 VAL HG22 H 1 .47 . . 2 . . . . . . . . 1580 1 288 . 1 1 117 117 VAL HG23 H 1 .47 . . 2 . . . . . . . . 1580 1 289 . 1 1 140 140 GLY HA2 H 1 4.59 . . 1 . . . . . . . . 1580 1 290 . 1 1 140 140 GLY HA3 H 1 4.59 . . 1 . . . . . . . . 1580 1 291 . 1 1 141 141 LEU H H 1 6.94 . . 1 . . . . . . . . 1580 1 292 . 1 1 141 141 LEU CA C 13 53.1 . . 1 . . . . . . . . 1580 1 293 . 1 1 141 141 LEU HA H 1 2.61 . . 1 . . . . . . . . 1580 1 294 . 1 1 141 141 LEU CB C 13 36.3 . . 1 . . . . . . . . 1580 1 295 . 1 1 141 141 LEU CG C 13 23.7 . . 1 . . . . . . . . 1580 1 296 . 1 1 141 141 LEU HB2 H 1 .16 . . 2 . . . . . . . . 1580 1 297 . 1 1 141 141 LEU HB3 H 1 1.8 . . 2 . . . . . . . . 1580 1 298 . 1 1 141 141 LEU CD1 C 13 24.1 . . 2 . . . . . . . . 1580 1 299 . 1 1 141 141 LEU CD2 C 13 18.5 . . 2 . . . . . . . . 1580 1 300 . 1 1 141 141 LEU HG H 1 .41 . . 1 . . . . . . . . 1580 1 301 . 1 1 141 141 LEU HD11 H 1 .02 . . 2 . . . . . . . . 1580 1 302 . 1 1 141 141 LEU HD12 H 1 .02 . . 2 . . . . . . . . 1580 1 303 . 1 1 141 141 LEU HD13 H 1 .02 . . 2 . . . . . . . . 1580 1 304 . 1 1 141 141 LEU HD21 H 1 .97 . . 2 . . . . . . . . 1580 1 305 . 1 1 141 141 LEU HD22 H 1 .97 . . 2 . . . . . . . . 1580 1 306 . 1 1 141 141 LEU HD23 H 1 .97 . . 2 . . . . . . . . 1580 1 307 . 1 1 142 142 ALA H H 1 5.29 . . 1 . . . . . . . . 1580 1 308 . 1 1 142 142 ALA CA C 13 47.3 . . 1 . . . . . . . . 1580 1 309 . 1 1 142 142 ALA HA H 1 3.95 . . 1 . . . . . . . . 1580 1 310 . 1 1 142 142 ALA CB C 13 17.2 . . 1 . . . . . . . . 1580 1 311 . 1 1 142 142 ALA HB1 H 1 .14 . . 1 . . . . . . . . 1580 1 312 . 1 1 142 142 ALA HB2 H 1 .14 . . 1 . . . . . . . . 1580 1 313 . 1 1 142 142 ALA HB3 H 1 .14 . . 1 . . . . . . . . 1580 1 314 . 1 1 143 143 LEU H H 1 8.44 . . 1 . . . . . . . . 1580 1 315 . 1 1 143 143 LEU HA H 1 4.83 . . 1 . . . . . . . . 1580 1 316 . 1 1 144 144 ASP H H 1 8.64 . . 1 . . . . . . . . 1580 1 317 . 1 1 144 144 ASP CA C 13 51.6 . . 1 . . . . . . . . 1580 1 318 . 1 1 144 144 ASP HA H 1 5.61 . . 1 . . . . . . . . 1580 1 319 . 1 1 144 144 ASP CB C 13 41.2 . . 1 . . . . . . . . 1580 1 320 . 1 1 144 144 ASP HB2 H 1 2.96 . . 1 . . . . . . . . 1580 1 321 . 1 1 144 144 ASP HB3 H 1 2.96 . . 1 . . . . . . . . 1580 1 stop_ save_