################################### # 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5160 _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 DQF-COSY 1 $sample_1 . 5160 1 2 TOCSY 1 $sample_1 . 5160 1 3 NOESY 1 $sample_1 . 5160 1 4 '1H-13C HSQC' 1 $sample_1 . 5160 1 5 '1H13C HMBC' 1 $sample_1 . 5160 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 VAL H H 1 8.31 0.005 . 1 . . . . . . . . . 5160 1 2 . 1 1 1 1 VAL HA H 1 4.30 0.005 . 1 . . . . . . . . . 5160 1 3 . 1 1 1 1 VAL HB H 1 2.13 0.005 . 1 . . . . . . . . . 5160 1 4 . 1 1 1 1 VAL HG11 H 1 0.94 0.005 . 1 . . . . . . . . . 5160 1 5 . 1 1 1 1 VAL HG12 H 1 0.94 0.005 . 1 . . . . . . . . . 5160 1 6 . 1 1 1 1 VAL HG13 H 1 0.94 0.005 . 1 . . . . . . . . . 5160 1 7 . 1 1 1 1 VAL HG21 H 1 0.91 0.005 . 1 . . . . . . . . . 5160 1 8 . 1 1 1 1 VAL HG22 H 1 0.91 0.005 . 1 . . . . . . . . . 5160 1 9 . 1 1 1 1 VAL HG23 H 1 0.91 0.005 . 1 . . . . . . . . . 5160 1 10 . 1 1 1 1 VAL CA C 13 59.6 0.14 . 1 . . . . . . . . . 5160 1 11 . 1 1 1 1 VAL CB C 13 32.2 0.14 . 1 . . . . . . . . . 5160 1 12 . 1 1 1 1 VAL CG1 C 13 19.6 0.14 . 1 . . . . . . . . . 5160 1 13 . 1 1 1 1 VAL CG2 C 13 18.3 0.14 . 1 . . . . . . . . . 5160 1 14 . 1 1 2 2 GLY H H 1 8.20 0.005 . 1 . . . . . . . . . 5160 1 15 . 1 1 2 2 GLY HA2 H 1 3.99 0.005 . 1 . . . . . . . . . 5160 1 16 . 1 1 2 2 GLY HA3 H 1 3.75 0.005 . 1 . . . . . . . . . 5160 1 17 . 1 1 2 2 GLY CA C 13 43.5 0.14 . 1 . . . . . . . . . 5160 1 18 . 1 1 3 3 ILE H H 1 8.38 0.005 . 1 . . . . . . . . . 5160 1 19 . 1 1 3 3 ILE HA H 1 4.17 0.005 . 1 . . . . . . . . . 5160 1 20 . 1 1 3 3 ILE HB H 1 1.93 0.005 . 1 . . . . . . . . . 5160 1 21 . 1 1 3 3 ILE HG12 H 1 1.54 0.005 . 2 . . . . . . . . . 5160 1 22 . 1 1 3 3 ILE HG13 H 1 1.20 0.005 . 2 . . . . . . . . . 5160 1 23 . 1 1 3 3 ILE HG21 H 1 0.93 0.005 . 1 . . . . . . . . . 5160 1 24 . 1 1 3 3 ILE HG22 H 1 0.93 0.005 . 1 . . . . . . . . . 5160 1 25 . 1 1 3 3 ILE HG23 H 1 0.93 0.005 . 1 . . . . . . . . . 5160 1 26 . 1 1 3 3 ILE HD11 H 1 0.89 0.005 . 1 . . . . . . . . . 5160 1 27 . 1 1 3 3 ILE HD12 H 1 0.89 0.005 . 1 . . . . . . . . . 5160 1 28 . 1 1 3 3 ILE HD13 H 1 0.89 0.005 . 1 . . . . . . . . . 5160 1 29 . 1 1 3 3 ILE CA C 13 59.4 0.14 . 1 . . . . . . . . . 5160 1 30 . 1 1 3 3 ILE CB C 13 36.4 0.14 . 1 . . . . . . . . . 5160 1 31 . 1 1 3 3 ILE CG1 C 13 25.9 0.14 . 1 . . . . . . . . . 5160 1 32 . 1 1 3 3 ILE CG2 C 13 15.6 0.14 . 1 . . . . . . . . . 5160 1 33 . 1 1 3 3 ILE CD1 C 13 11.0 0.14 . 1 . . . . . . . . . 5160 1 34 . 1 1 4 4 GLY H H 1 8.47 0.005 . 1 . . . . . . . . . 5160 1 35 . 1 1 4 4 GLY HA2 H 1 3.62 0.005 . 1 . . . . . . . . . 5160 1 36 . 1 1 4 4 GLY HA3 H 1 4.05 0.005 . 1 . . . . . . . . . 5160 1 37 . 1 1 4 4 GLY CA C 13 43.9 0.14 . 1 . . . . . . . . . 5160 1 38 . 1 1 5 5 THR H H 1 7.94 0.005 . 1 . . . . . . . . . 5160 1 39 . 1 1 5 5 THR HA H 1 4.73 0.005 . 1 . . . . . . . . . 5160 1 40 . 1 1 5 5 THR HB H 1 4.10 0.005 . 1 . . . . . . . . . 5160 1 41 . 1 1 5 5 THR HG21 H 1 1.21 0.005 . 1 . . . . . . . . . 5160 1 42 . 1 1 5 5 THR HG22 H 1 1.21 0.005 . 1 . . . . . . . . . 5160 1 43 . 1 1 5 5 THR HG23 H 1 1.21 0.005 . 1 . . . . . . . . . 5160 1 44 . 1 1 5 5 THR CA C 13 58.1 0.14 . 1 . . . . . . . . . 5160 1 45 . 1 1 5 5 THR CB C 13 68.4 0.14 . 1 . . . . . . . . . 5160 1 46 . 1 1 5 5 THR CG2 C 13 19.7 0.14 . 1 . . . . . . . . . 5160 1 47 . 1 1 6 6 PRO HA H 1 4.49 0.005 . 1 . . . . . . . . . 5160 1 48 . 1 1 6 6 PRO HB2 H 1 1.71 0.005 . 1 . . . . . . . . . 5160 1 49 . 1 1 6 6 PRO HB3 H 1 1.81 0.005 . 1 . . . . . . . . . 5160 1 50 . 1 1 6 6 PRO HG2 H 1 2.16 0.005 . 1 . . . . . . . . . 5160 1 51 . 1 1 6 6 PRO HG3 H 1 1.97 0.005 . 1 . . . . . . . . . 5160 1 52 . 1 1 6 6 PRO HD2 H 1 3.86 0.005 . 1 . . . . . . . . . 5160 1 53 . 1 1 6 6 PRO HD3 H 1 4.02 0.005 . 1 . . . . . . . . . 5160 1 54 . 1 1 6 6 PRO CA C 13 61.0 0.14 . 1 . . . . . . . . . 5160 1 55 . 1 1 6 6 PRO CB C 13 30.6 0.14 . 1 . . . . . . . . . 5160 1 56 . 1 1 6 6 PRO CG C 13 25.6 0.14 . 1 . . . . . . . . . 5160 1 57 . 1 1 6 6 PRO CD C 13 48.8 0.14 . 1 . . . . . . . . . 5160 1 58 . 1 1 7 7 ILE H H 1 8.01 0.005 . 1 . . . . . . . . . 5160 1 59 . 1 1 7 7 ILE HA H 1 4.43 0.005 . 1 . . . . . . . . . 5160 1 60 . 1 1 7 7 ILE HB H 1 1.86 0.005 . 1 . . . . . . . . . 5160 1 61 . 1 1 7 7 ILE HG12 H 1 1.42 0.005 . 2 . . . . . . . . . 5160 1 62 . 1 1 7 7 ILE HG13 H 1 1.07 0.005 . 2 . . . . . . . . . 5160 1 63 . 1 1 7 7 ILE HG21 H 1 0.84 0.005 . 1 . . . . . . . . . 5160 1 64 . 1 1 7 7 ILE HG22 H 1 0.84 0.005 . 1 . . . . . . . . . 5160 1 65 . 1 1 7 7 ILE HG23 H 1 0.84 0.005 . 1 . . . . . . . . . 5160 1 66 . 1 1 7 7 ILE HD11 H 1 0.84 0.005 . 1 . . . . . . . . . 5160 1 67 . 1 1 7 7 ILE HD12 H 1 0.84 0.005 . 1 . . . . . . . . . 5160 1 68 . 1 1 7 7 ILE HD13 H 1 0.84 0.005 . 1 . . . . . . . . . 5160 1 69 . 1 1 7 7 ILE CA C 13 58.5 0.14 . 1 . . . . . . . . . 5160 1 70 . 1 1 7 7 ILE CB C 13 38.4 0.14 . 1 . . . . . . . . . 5160 1 71 . 1 1 7 7 ILE CG1 C 13 25.9 0.14 . 1 . . . . . . . . . 5160 1 72 . 1 1 7 7 ILE CG2 C 13 16.2 0.14 . 1 . . . . . . . . . 5160 1 73 . 1 1 7 7 ILE CD1 C 13 11.8 0.14 . 1 . . . . . . . . . 5160 1 74 . 1 1 8 8 SER H H 1 7.37 0.005 . 1 . . . . . . . . . 5160 1 75 . 1 1 8 8 SER HA H 1 4.38 0.005 . 1 . . . . . . . . . 5160 1 76 . 1 1 8 8 SER HB2 H 1 4.07 0.005 . 1 . . . . . . . . . 5160 1 77 . 1 1 8 8 SER HB3 H 1 3.85 0.005 . 1 . . . . . . . . . 5160 1 78 . 1 1 8 8 SER CA C 13 56.7 0.14 . 1 . . . . . . . . . 5160 1 79 . 1 1 8 8 SER CB C 13 62.0 0.14 . 1 . . . . . . . . . 5160 1 80 . 1 1 9 9 PHE H H 1 8.89 0.005 . 1 . . . . . . . . . 5160 1 81 . 1 1 9 9 PHE HA H 1 5.43 0.005 . 1 . . . . . . . . . 5160 1 82 . 1 1 9 9 PHE HB2 H 1 2.57 0.005 . 1 . . . . . . . . . 5160 1 83 . 1 1 9 9 PHE HB3 H 1 2.57 0.005 . 1 . . . . . . . . . 5160 1 84 . 1 1 9 9 PHE HD1 H 1 6.86 0.005 . 1 . . . . . . . . . 5160 1 85 . 1 1 9 9 PHE HD2 H 1 6.86 0.005 . 1 . . . . . . . . . 5160 1 86 . 1 1 9 9 PHE HE1 H 1 7.06 0.005 . 1 . . . . . . . . . 5160 1 87 . 1 1 9 9 PHE HE2 H 1 7.06 0.005 . 1 . . . . . . . . . 5160 1 88 . 1 1 9 9 PHE HZ H 1 7.12 0.005 . 1 . . . . . . . . . 5160 1 89 . 1 1 9 9 PHE CA C 13 56.9 0.14 . 1 . . . . . . . . . 5160 1 90 . 1 1 9 9 PHE CB C 13 43.2 0.14 . 1 . . . . . . . . . 5160 1 91 . 1 1 9 9 PHE CG C 13 138.6 0.14 . 1 . . . . . . . . . 5160 1 92 . 1 1 9 9 PHE CD1 C 13 130.3 0.14 . 1 . . . . . . . . . 5160 1 93 . 1 1 9 9 PHE CD2 C 13 130.3 0.14 . 1 . . . . . . . . . 5160 1 94 . 1 1 9 9 PHE CE1 C 13 130.0 0.14 . 1 . . . . . . . . . 5160 1 95 . 1 1 9 9 PHE CE2 C 13 130.0 0.14 . 1 . . . . . . . . . 5160 1 96 . 1 1 9 9 PHE CZ C 13 127.6 0.14 . 1 . . . . . . . . . 5160 1 97 . 1 1 10 10 TYR H H 1 9.51 0.005 . 1 . . . . . . . . . 5160 1 98 . 1 1 10 10 TYR HA H 1 4.89 0.005 . 1 . . . . . . . . . 5160 1 99 . 1 1 10 10 TYR HB2 H 1 2.98 0.005 . 1 . . . . . . . . . 5160 1 100 . 1 1 10 10 TYR HB3 H 1 2.98 0.005 . 1 . . . . . . . . . 5160 1 101 . 1 1 10 10 TYR HD1 H 1 6.95 0.005 . 1 . . . . . . . . . 5160 1 102 . 1 1 10 10 TYR HD2 H 1 6.95 0.005 . 1 . . . . . . . . . 5160 1 103 . 1 1 10 10 TYR HE1 H 1 6.69 0.005 . 1 . . . . . . . . . 5160 1 104 . 1 1 10 10 TYR HE2 H 1 6.69 0.005 . 1 . . . . . . . . . 5160 1 105 . 1 1 10 10 TYR CA C 13 55.5 0.14 . 1 . . . . . . . . . 5160 1 106 . 1 1 10 10 TYR CB C 13 39.1 0.14 . 1 . . . . . . . . . 5160 1 107 . 1 1 10 10 TYR CG C 13 127.9 0.14 . 1 . . . . . . . . . 5160 1 108 . 1 1 10 10 TYR CD1 C 13 131.4 0.14 . 1 . . . . . . . . . 5160 1 109 . 1 1 10 10 TYR CD2 C 13 131.4 0.14 . 1 . . . . . . . . . 5160 1 110 . 1 1 10 10 TYR CE1 C 13 116.1 0.14 . 1 . . . . . . . . . 5160 1 111 . 1 1 10 10 TYR CE2 C 13 116.1 0.14 . 1 . . . . . . . . . 5160 1 112 . 1 1 10 10 TYR CZ C 13 157.0 0.14 . 1 . . . . . . . . . 5160 1 113 . 1 1 11 11 GLY H H 1 8.62 0.005 . 1 . . . . . . . . . 5160 1 114 . 1 1 11 11 GLY HA2 H 1 3.82 0.005 . 1 . . . . . . . . . 5160 1 115 . 1 1 11 11 GLY HA3 H 1 3.82 0.005 . 1 . . . . . . . . . 5160 1 116 . 1 1 11 11 GLY CA C 13 43.6 0.14 . 1 . . . . . . . . . 5160 1 117 . 1 1 12 12 GLY H H 1 7.96 0.005 . 1 . . . . . . . . . 5160 1 118 . 1 1 12 12 GLY HA2 H 1 4.31 0.005 . 1 . . . . . . . . . 5160 1 119 . 1 1 12 12 GLY HA3 H 1 3.53 0.005 . 1 . . . . . . . . . 5160 1 120 . 1 1 12 12 GLY CA C 13 43.8 0.14 . 1 . . . . . . . . . 5160 1 121 . 1 1 13 13 GLY H H 1 9.00 0.005 . 1 . . . . . . . . . 5160 1 122 . 1 1 13 13 GLY HA2 H 1 4.22 0.005 . 1 . . . . . . . . . 5160 1 123 . 1 1 13 13 GLY HA3 H 1 3.88 0.005 . 1 . . . . . . . . . 5160 1 124 . 1 1 13 13 GLY CA C 13 45.3 0.14 . 1 . . . . . . . . . 5160 1 125 . 1 1 14 14 ALA H H 1 8.56 0.005 . 1 . . . . . . . . . 5160 1 126 . 1 1 14 14 ALA HA H 1 4.67 0.005 . 1 . . . . . . . . . 5160 1 127 . 1 1 14 14 ALA HB1 H 1 1.31 0.005 . 1 . . . . . . . . . 5160 1 128 . 1 1 14 14 ALA HB2 H 1 1.31 0.005 . 1 . . . . . . . . . 5160 1 129 . 1 1 14 14 ALA HB3 H 1 1.31 0.005 . 1 . . . . . . . . . 5160 1 130 . 1 1 14 14 ALA CA C 13 49.1 0.14 . 1 . . . . . . . . . 5160 1 131 . 1 1 14 14 ALA CB C 13 18.1 0.14 . 1 . . . . . . . . . 5160 1 132 . 1 1 15 15 GLY H H 1 7.77 0.005 . 1 . . . . . . . . . 5160 1 133 . 1 1 15 15 GLY HA2 H 1 3.51 0.005 . 1 . . . . . . . . . 5160 1 134 . 1 1 15 15 GLY HA3 H 1 4.05 0.005 . 1 . . . . . . . . . 5160 1 135 . 1 1 15 15 GLY CA C 13 43.4 0.14 . 1 . . . . . . . . . 5160 1 136 . 1 1 16 16 HIS H H 1 7.48 0.005 . 1 . . . . . . . . . 5160 1 137 . 1 1 16 16 HIS HA H 1 4.67 0.005 . 1 . . . . . . . . . 5160 1 138 . 1 1 16 16 HIS HB2 H 1 2.91 0.005 . 1 . . . . . . . . . 5160 1 139 . 1 1 16 16 HIS HB3 H 1 3.26 0.005 . 1 . . . . . . . . . 5160 1 140 . 1 1 16 16 HIS HD1 H 1 8.70 0.005 . 1 . . . . . . . . . 5160 1 141 . 1 1 16 16 HIS HD2 H 1 7.34 0.005 . 1 . . . . . . . . . 5160 1 142 . 1 1 16 16 HIS CA C 13 54.7 0.14 . 1 . . . . . . . . . 5160 1 143 . 1 1 16 16 HIS CB C 13 29.6 0.14 . 1 . . . . . . . . . 5160 1 144 . 1 1 16 16 HIS CG C 13 131.2 0.14 . 1 . . . . . . . . . 5160 1 145 . 1 1 16 16 HIS CD2 C 13 118.3 0.14 . 1 . . . . . . . . . 5160 1 146 . 1 1 16 16 HIS CE1 C 13 134.4 0.14 . 1 . . . . . . . . . 5160 1 147 . 1 1 17 17 VAL H H 1 8.75 0.005 . 1 . . . . . . . . . 5160 1 148 . 1 1 17 17 VAL HA H 1 4.69 0.005 . 1 . . . . . . . . . 5160 1 149 . 1 1 17 17 VAL HB H 1 1.77 0.005 . 1 . . . . . . . . . 5160 1 150 . 1 1 17 17 VAL HG11 H 1 1.10 0.005 . 1 . . . . . . . . . 5160 1 151 . 1 1 17 17 VAL HG12 H 1 1.10 0.005 . 1 . . . . . . . . . 5160 1 152 . 1 1 17 17 VAL HG13 H 1 1.10 0.005 . 1 . . . . . . . . . 5160 1 153 . 1 1 17 17 VAL HG21 H 1 0.86 0.005 . 1 . . . . . . . . . 5160 1 154 . 1 1 17 17 VAL HG22 H 1 0.86 0.005 . 1 . . . . . . . . . 5160 1 155 . 1 1 17 17 VAL HG23 H 1 0.86 0.005 . 1 . . . . . . . . . 5160 1 156 . 1 1 17 17 VAL CA C 13 57.8 0.14 . 1 . . . . . . . . . 5160 1 157 . 1 1 17 17 VAL CB C 13 31.9 0.14 . 1 . . . . . . . . . 5160 1 158 . 1 1 17 17 VAL CG1 C 13 19.5 0.14 . 1 . . . . . . . . . 5160 1 159 . 1 1 17 17 VAL CG2 C 13 19.1 0.14 . 1 . . . . . . . . . 5160 1 160 . 1 1 18 18 PRO HA H 1 4.20 0.005 . 1 . . . . . . . . . 5160 1 161 . 1 1 18 18 PRO HB2 H 1 1.69 0.005 . 1 . . . . . . . . . 5160 1 162 . 1 1 18 18 PRO HB3 H 1 1.80 0.005 . 1 . . . . . . . . . 5160 1 163 . 1 1 18 18 PRO HG2 H 1 2.25 0.005 . 1 . . . . . . . . . 5160 1 164 . 1 1 18 18 PRO HG3 H 1 1.99 0.005 . 1 . . . . . . . . . 5160 1 165 . 1 1 18 18 PRO HD2 H 1 3.82 0.005 . 1 . . . . . . . . . 5160 1 166 . 1 1 18 18 PRO HD3 H 1 4.14 0.005 . 1 . . . . . . . . . 5160 1 167 . 1 1 18 18 PRO CA C 13 62.0 0.14 . 1 . . . . . . . . . 5160 1 168 . 1 1 18 18 PRO CB C 13 31.0 0.14 . 1 . . . . . . . . . 5160 1 169 . 1 1 18 18 PRO CG C 13 26.6 0.14 . 1 . . . . . . . . . 5160 1 170 . 1 1 18 18 PRO CD C 13 49.2 0.14 . 1 . . . . . . . . . 5160 1 171 . 1 1 19 19 GLU H H 1 8.35 0.005 . 1 . . . . . . . . . 5160 1 172 . 1 1 19 19 GLU HA H 1 4.40 0.005 . 1 . . . . . . . . . 5160 1 173 . 1 1 19 19 GLU HB2 H 1 1.70 0.005 . 2 . . . . . . . . . 5160 1 174 . 1 1 19 19 GLU HB3 H 1 1.67 0.005 . 2 . . . . . . . . . 5160 1 175 . 1 1 19 19 GLU HG2 H 1 1.95 0.005 . 2 . . . . . . . . . 5160 1 176 . 1 1 19 19 GLU HG3 H 1 1.83 0.005 . 2 . . . . . . . . . 5160 1 177 . 1 1 19 19 GLU CA C 13 53.8 0.14 . 1 . . . . . . . . . 5160 1 178 . 1 1 19 19 GLU CB C 13 28.0 0.14 . 1 . . . . . . . . . 5160 1 179 . 1 1 19 19 GLU CG C 13 33.4 0.14 . 1 . . . . . . . . . 5160 1 180 . 1 1 20 20 TYR H H 1 7.34 0.005 . 1 . . . . . . . . . 5160 1 181 . 1 1 20 20 TYR HA H 1 4.56 0.005 . 1 . . . . . . . . . 5160 1 182 . 1 1 20 20 TYR HB2 H 1 2.63 0.005 . 1 . . . . . . . . . 5160 1 183 . 1 1 20 20 TYR HB3 H 1 2.86 0.005 . 1 . . . . . . . . . 5160 1 184 . 1 1 20 20 TYR HD1 H 1 6.93 0.005 . 1 . . . . . . . . . 5160 1 185 . 1 1 20 20 TYR HD2 H 1 6.93 0.005 . 1 . . . . . . . . . 5160 1 186 . 1 1 20 20 TYR HE1 H 1 6.58 0.005 . 1 . . . . . . . . . 5160 1 187 . 1 1 20 20 TYR HE2 H 1 6.58 0.005 . 1 . . . . . . . . . 5160 1 188 . 1 1 20 20 TYR CA C 13 55.7 0.14 . 1 . . . . . . . . . 5160 1 189 . 1 1 20 20 TYR CB C 13 38.8 0.14 . 1 . . . . . . . . . 5160 1 190 . 1 1 20 20 TYR CG C 13 128.2 0.14 . 1 . . . . . . . . . 5160 1 191 . 1 1 20 20 TYR CD1 C 13 131.1 0.14 . 1 . . . . . . . . . 5160 1 192 . 1 1 20 20 TYR CD2 C 13 131.1 0.14 . 1 . . . . . . . . . 5160 1 193 . 1 1 20 20 TYR CE1 C 13 115.8 0.14 . 1 . . . . . . . . . 5160 1 194 . 1 1 20 20 TYR CE2 C 13 115.8 0.14 . 1 . . . . . . . . . 5160 1 195 . 1 1 20 20 TYR CZ C 13 157.0 0.14 . 1 . . . . . . . . . 5160 1 196 . 1 1 21 21 PHE H H 1 8.37 0.005 . 1 . . . . . . . . . 5160 1 197 . 1 1 21 21 PHE HA H 1 4.88 0.005 . 1 . . . . . . . . . 5160 1 198 . 1 1 21 21 PHE HB2 H 1 2.73 0.005 . 1 . . . . . . . . . 5160 1 199 . 1 1 21 21 PHE HB3 H 1 2.92 0.005 . 1 . . . . . . . . . 5160 1 200 . 1 1 21 21 PHE HD1 H 1 7.06 0.005 . 1 . . . . . . . . . 5160 1 201 . 1 1 21 21 PHE HD2 H 1 7.06 0.005 . 1 . . . . . . . . . 5160 1 202 . 1 1 21 21 PHE HE1 H 1 7.16 0.005 . 1 . . . . . . . . . 5160 1 203 . 1 1 21 21 PHE HE2 H 1 7.16 0.005 . 1 . . . . . . . . . 5160 1 204 . 1 1 21 21 PHE HZ H 1 7.06 0.005 . 1 . . . . . . . . . 5160 1 205 . 1 1 21 21 PHE CA C 13 55.4 0.14 . 1 . . . . . . . . . 5160 1 206 . 1 1 21 21 PHE CB C 13 39.7 0.14 . 1 . . . . . . . . . 5160 1 207 . 1 1 21 21 PHE CG C 13 137.9 0.14 . 1 . . . . . . . . . 5160 1 208 . 1 1 21 21 PHE CD1 C 13 128.6 0.14 . 1 . . . . . . . . . 5160 1 209 . 1 1 21 21 PHE CD2 C 13 128.6 0.14 . 1 . . . . . . . . . 5160 1 210 . 1 1 21 21 PHE CE1 C 13 129.0 0.14 . 1 . . . . . . . . . 5160 1 211 . 1 1 21 21 PHE CE2 C 13 129.0 0.14 . 1 . . . . . . . . . 5160 1 212 . 1 1 21 21 PHE CZ C 13 127.2 0.14 . 1 . . . . . . . . . 5160 1 stop_ save_