################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34705 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 NOESY . . . 34705 1 2 '2D 1H-1H TOCSY' . . . 34705 1 3 '2D 1H-15N HSQC' . . . 34705 1 4 '2D 1H-13C HSQC aliphatic' . . . 34705 1 5 '2D 1H-13C HSQC-TOCSY' . . . 34705 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 4.073 0.000 . 1 . . . . A 1 GLU HA . 34705 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.075 0.000 . 2 . . . . A 1 GLU HB2 . 34705 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.075 0.000 . 2 . . . . A 1 GLU HB3 . 34705 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.269 0.000 . 2 . . . . A 1 GLU HG2 . 34705 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.269 0.000 . 2 . . . . A 1 GLU HG3 . 34705 1 6 . 1 . 1 1 1 GLU CA C 13 55.407 0.000 . 1 . . . . A 1 GLU CA . 34705 1 7 . 1 . 1 1 1 GLU CB C 13 30.550 0.000 . 1 . . . . A 1 GLU CB . 34705 1 8 . 1 . 1 1 1 GLU CG C 13 35.563 0.000 . 1 . . . . A 1 GLU CG . 34705 1 9 . 1 . 1 2 2 LYS H H 1 8.999 0.000 . 1 . . . . A 2 LYS H . 34705 1 10 . 1 . 1 2 2 LYS HA H 1 4.373 0.000 . 1 . . . . A 2 LYS HA . 34705 1 11 . 1 . 1 2 2 LYS HB2 H 1 1.730 0.000 . 2 . . . . A 2 LYS HB2 . 34705 1 12 . 1 . 1 2 2 LYS HB3 H 1 1.642 0.000 . 2 . . . . A 2 LYS HB3 . 34705 1 13 . 1 . 1 2 2 LYS HG2 H 1 1.464 0.000 . 2 . . . . A 2 LYS HG2 . 34705 1 14 . 1 . 1 2 2 LYS HG3 H 1 1.413 0.000 . 2 . . . . A 2 LYS HG3 . 34705 1 15 . 1 . 1 2 2 LYS HD2 H 1 1.557 0.000 . 2 . . . . A 2 LYS HD2 . 34705 1 16 . 1 . 1 2 2 LYS HD3 H 1 1.505 0.000 . 2 . . . . A 2 LYS HD3 . 34705 1 17 . 1 . 1 2 2 LYS HE2 H 1 2.995 0.000 . 2 . . . . A 2 LYS HE2 . 34705 1 18 . 1 . 1 2 2 LYS HE3 H 1 2.995 0.000 . 2 . . . . A 2 LYS HE3 . 34705 1 19 . 1 . 1 2 2 LYS CA C 13 56.172 0.000 . 1 . . . . A 2 LYS CA . 34705 1 20 . 1 . 1 2 2 LYS CB C 13 29.307 0.000 . 1 . . . . A 2 LYS CB . 34705 1 21 . 1 . 1 2 2 LYS CG C 13 25.103 0.000 . 1 . . . . A 2 LYS CG . 34705 1 22 . 1 . 1 2 2 LYS CD C 13 27.259 0.000 . 1 . . . . A 2 LYS CD . 34705 1 23 . 1 . 1 2 2 LYS CE C 13 42.268 0.000 . 1 . . . . A 2 LYS CE . 34705 1 24 . 1 . 1 3 3 ARG H H 1 8.810 0.000 . 1 . . . . A 3 ARG H . 34705 1 25 . 1 . 1 3 3 ARG HA H 1 4.182 0.000 . 1 . . . . A 3 ARG HA . 34705 1 26 . 1 . 1 3 3 ARG HB2 H 1 1.898 0.000 . 2 . . . . A 3 ARG HB2 . 34705 1 27 . 1 . 1 3 3 ARG HB3 H 1 1.898 0.000 . 2 . . . . A 3 ARG HB3 . 34705 1 28 . 1 . 1 3 3 ARG HG2 H 1 1.630 0.000 . 2 . . . . A 3 ARG HG2 . 34705 1 29 . 1 . 1 3 3 ARG HG3 H 1 1.517 0.000 . 2 . . . . A 3 ARG HG3 . 34705 1 30 . 1 . 1 3 3 ARG HD2 H 1 3.158 0.000 . 2 . . . . A 3 ARG HD2 . 34705 1 31 . 1 . 1 3 3 ARG HD3 H 1 3.158 0.000 . 2 . . . . A 3 ARG HD3 . 34705 1 32 . 1 . 1 3 3 ARG HE H 1 7.507 0.000 . 1 . . . . A 3 ARG HE . 34705 1 33 . 1 . 1 3 3 ARG CA C 13 58.029 0.000 . 1 . . . . A 3 ARG CA . 34705 1 34 . 1 . 1 3 3 ARG CB C 13 30.238 0.000 . 1 . . . . A 3 ARG CB . 34705 1 35 . 1 . 1 3 3 ARG CG C 13 27.315 0.000 . 1 . . . . A 3 ARG CG . 34705 1 36 . 1 . 1 3 3 ARG CD C 13 43.659 0.000 . 1 . . . . A 3 ARG CD . 34705 1 37 . 1 . 1 3 3 ARG N N 15 123.506 0.000 . 1 . . . . A 3 ARG N . 34705 1 38 . 1 . 1 3 3 ARG NE N 15 84.705 0.000 . 1 . . . . A 3 ARG NE . 34705 1 39 . 1 . 1 4 4 TRP H H 1 8.270 0.000 . 1 . . . . A 4 TRP H . 34705 1 40 . 1 . 1 4 4 TRP HA H 1 4.392 0.000 . 1 . . . . A 4 TRP HA . 34705 1 41 . 1 . 1 4 4 TRP HB2 H 1 3.399 0.000 . 2 . . . . A 4 TRP HB2 . 34705 1 42 . 1 . 1 4 4 TRP HB3 H 1 3.263 0.000 . 2 . . . . A 4 TRP HB3 . 34705 1 43 . 1 . 1 4 4 TRP HD1 H 1 7.440 0.000 . 1 . . . . A 4 TRP HD1 . 34705 1 44 . 1 . 1 4 4 TRP HE1 H 1 10.844 0.000 . 1 . . . . A 4 TRP HE1 . 34705 1 45 . 1 . 1 4 4 TRP HE3 H 1 7.402 0.000 . 1 . . . . A 4 TRP HE3 . 34705 1 46 . 1 . 1 4 4 TRP HZ2 H 1 7.579 0.000 . 1 . . . . A 4 TRP HZ2 . 34705 1 47 . 1 . 1 4 4 TRP HZ3 H 1 6.950 0.000 . 1 . . . . A 4 TRP HZ3 . 34705 1 48 . 1 . 1 4 4 TRP HH2 H 1 7.144 0.000 . 1 . . . . A 4 TRP HH2 . 34705 1 49 . 1 . 1 4 4 TRP CA C 13 59.655 0.000 . 1 . . . . A 4 TRP CA . 34705 1 50 . 1 . 1 4 4 TRP CB C 13 28.844 0.000 . 1 . . . . A 4 TRP CB . 34705 1 51 . 1 . 1 4 4 TRP N N 15 119.642 0.000 . 1 . . . . A 4 TRP N . 34705 1 52 . 1 . 1 5 5 ARG H H 1 7.603 0.000 . 1 . . . . A 5 ARG H . 34705 1 53 . 1 . 1 5 5 ARG HA H 1 3.693 0.000 . 1 . . . . A 5 ARG HA . 34705 1 54 . 1 . 1 5 5 ARG HB2 H 1 1.628 0.000 . 2 . . . . A 5 ARG HB2 . 34705 1 55 . 1 . 1 5 5 ARG HB3 H 1 1.394 0.000 . 2 . . . . A 5 ARG HB3 . 34705 1 56 . 1 . 1 5 5 ARG HG2 H 1 1.062 0.000 . 2 . . . . A 5 ARG HG2 . 34705 1 57 . 1 . 1 5 5 ARG HG3 H 1 1.088 0.000 . 2 . . . . A 5 ARG HG3 . 34705 1 58 . 1 . 1 5 5 ARG HD2 H 1 3.054 0.000 . 2 . . . . A 5 ARG HD2 . 34705 1 59 . 1 . 1 5 5 ARG HD3 H 1 3.018 0.000 . 2 . . . . A 5 ARG HD3 . 34705 1 60 . 1 . 1 5 5 ARG HE H 1 7.479 0.000 . 1 . . . . A 5 ARG HE . 34705 1 61 . 1 . 1 5 5 ARG CA C 13 59.837 0.000 . 1 . . . . A 5 ARG CA . 34705 1 62 . 1 . 1 5 5 ARG CB C 13 29.889 0.000 . 1 . . . . A 5 ARG CB . 34705 1 63 . 1 . 1 5 5 ARG CG C 13 27.533 0.000 . 1 . . . . A 5 ARG CG . 34705 1 64 . 1 . 1 5 5 ARG CD C 13 43.639 0.000 . 1 . . . . A 5 ARG CD . 34705 1 65 . 1 . 1 5 5 ARG N N 15 119.108 0.000 . 1 . . . . A 5 ARG N . 34705 1 66 . 1 . 1 5 5 ARG NE N 15 84.077 0.000 . 1 . . . . A 5 ARG NE . 34705 1 67 . 1 . 1 6 6 ARG H H 1 7.535 0.000 . 1 . . . . A 6 ARG H . 34705 1 68 . 1 . 1 6 6 ARG HA H 1 4.084 0.000 . 1 . . . . A 6 ARG HA . 34705 1 69 . 1 . 1 6 6 ARG HB2 H 1 1.946 0.000 . 2 . . . . A 6 ARG HB2 . 34705 1 70 . 1 . 1 6 6 ARG HB3 H 1 1.882 0.000 . 2 . . . . A 6 ARG HB3 . 34705 1 71 . 1 . 1 6 6 ARG HG2 H 1 1.689 0.000 . 2 . . . . A 6 ARG HG2 . 34705 1 72 . 1 . 1 6 6 ARG HG3 H 1 1.689 0.000 . 2 . . . . A 6 ARG HG3 . 34705 1 73 . 1 . 1 6 6 ARG HD2 H 1 3.242 0.000 . 2 . . . . A 6 ARG HD2 . 34705 1 74 . 1 . 1 6 6 ARG HD3 H 1 3.242 0.000 . 2 . . . . A 6 ARG HD3 . 34705 1 75 . 1 . 1 6 6 ARG HE H 1 7.473 0.000 . 1 . . . . A 6 ARG HE . 34705 1 76 . 1 . 1 6 6 ARG CA C 13 58.525 0.000 . 1 . . . . A 6 ARG CA . 34705 1 77 . 1 . 1 6 6 ARG CB C 13 29.913 0.000 . 1 . . . . A 6 ARG CB . 34705 1 78 . 1 . 1 6 6 ARG CG C 13 27.015 0.000 . 1 . . . . A 6 ARG CG . 34705 1 79 . 1 . 1 6 6 ARG CD C 13 43.281 0.000 . 1 . . . . A 6 ARG CD . 34705 1 80 . 1 . 1 6 6 ARG N N 15 117.772 0.000 . 1 . . . . A 6 ARG N . 34705 1 81 . 1 . 1 6 6 ARG NE N 15 84.177 0.000 . 1 . . . . A 6 ARG NE . 34705 1 82 . 1 . 1 7 7 LEU H H 1 7.901 0.000 . 1 . . . . A 7 LEU H . 34705 1 83 . 1 . 1 7 7 LEU HA H 1 4.173 0.000 . 1 . . . . A 7 LEU HA . 34705 1 84 . 1 . 1 7 7 LEU HB2 H 1 1.994 0.000 . 2 . . . . A 7 LEU HB2 . 34705 1 85 . 1 . 1 7 7 LEU HB3 H 1 1.659 0.000 . 2 . . . . A 7 LEU HB3 . 34705 1 86 . 1 . 1 7 7 LEU HG H 1 1.843 0.000 . 1 . . . . A 7 LEU HG . 34705 1 87 . 1 . 1 7 7 LEU HD11 H 1 0.969 0.000 . 2 . . . . A 7 LEU HD11 . 34705 1 88 . 1 . 1 7 7 LEU HD12 H 1 0.969 0.000 . 2 . . . . A 7 LEU HD12 . 34705 1 89 . 1 . 1 7 7 LEU HD13 H 1 0.969 0.000 . 2 . . . . A 7 LEU HD13 . 34705 1 90 . 1 . 1 7 7 LEU HD21 H 1 0.940 0.000 . 2 . . . . A 7 LEU HD21 . 34705 1 91 . 1 . 1 7 7 LEU HD22 H 1 0.940 0.000 . 2 . . . . A 7 LEU HD22 . 34705 1 92 . 1 . 1 7 7 LEU HD23 H 1 0.940 0.000 . 2 . . . . A 7 LEU HD23 . 34705 1 93 . 1 . 1 7 7 LEU CA C 13 58.237 0.000 . 1 . . . . A 7 LEU CA . 34705 1 94 . 1 . 1 7 7 LEU CB C 13 42.510 0.000 . 1 . . . . A 7 LEU CB . 34705 1 95 . 1 . 1 7 7 LEU CG C 13 27.265 0.000 . 1 . . . . A 7 LEU CG . 34705 1 96 . 1 . 1 7 7 LEU CD1 C 13 24.019 0.000 . 1 . . . . A 7 LEU CD1 . 34705 1 97 . 1 . 1 7 7 LEU CD2 C 13 25.683 0.000 . 1 . . . . A 7 LEU CD2 . 34705 1 98 . 1 . 1 7 7 LEU N N 15 118.615 0.000 . 1 . . . . A 7 LEU N . 34705 1 99 . 1 . 1 8 8 ILE H H 1 7.896 0.000 . 1 . . . . A 8 ILE H . 34705 1 100 . 1 . 1 8 8 ILE HA H 1 3.926 0.000 . 1 . . . . A 8 ILE HA . 34705 1 101 . 1 . 1 8 8 ILE HB H 1 2.069 0.000 . 1 . . . . A 8 ILE HB . 34705 1 102 . 1 . 1 8 8 ILE HG12 H 1 1.962 0.000 . 2 . . . . A 8 ILE HG12 . 34705 1 103 . 1 . 1 8 8 ILE HG13 H 1 1.335 0.000 . 2 . . . . A 8 ILE HG13 . 34705 1 104 . 1 . 1 8 8 ILE HG21 H 1 1.041 0.000 . 1 . . . . A 8 ILE HG21 . 34705 1 105 . 1 . 1 8 8 ILE HG22 H 1 1.041 0.000 . 1 . . . . A 8 ILE HG22 . 34705 1 106 . 1 . 1 8 8 ILE HG23 H 1 1.041 0.000 . 1 . . . . A 8 ILE HG23 . 34705 1 107 . 1 . 1 8 8 ILE HD11 H 1 1.022 0.000 . 1 . . . . A 8 ILE HD11 . 34705 1 108 . 1 . 1 8 8 ILE HD12 H 1 1.022 0.000 . 1 . . . . A 8 ILE HD12 . 34705 1 109 . 1 . 1 8 8 ILE HD13 H 1 1.022 0.000 . 1 . . . . A 8 ILE HD13 . 34705 1 110 . 1 . 1 8 8 ILE CA C 13 65.059 0.000 . 1 . . . . A 8 ILE CA . 34705 1 111 . 1 . 1 8 8 ILE CB C 13 38.268 0.000 . 1 . . . . A 8 ILE CB . 34705 1 112 . 1 . 1 8 8 ILE CG1 C 13 29.304 0.000 . 1 . . . . A 8 ILE CG1 . 34705 1 113 . 1 . 1 8 8 ILE CG2 C 13 18.081 0.000 . 1 . . . . A 8 ILE CG2 . 34705 1 114 . 1 . 1 8 8 ILE CD1 C 13 13.750 0.000 . 1 . . . . A 8 ILE CD1 . 34705 1 115 . 1 . 1 8 8 ILE N N 15 117.094 0.000 . 1 . . . . A 8 ILE N . 34705 1 116 . 1 . 1 9 9 PHE H H 1 8.239 0.000 . 1 . . . . A 9 PHE H . 34705 1 117 . 1 . 1 9 9 PHE HA H 1 4.423 0.000 . 1 . . . . A 9 PHE HA . 34705 1 118 . 1 . 1 9 9 PHE HB2 H 1 3.265 0.000 . 2 . . . . A 9 PHE HB2 . 34705 1 119 . 1 . 1 9 9 PHE HB3 H 1 3.265 0.000 . 2 . . . . A 9 PHE HB3 . 34705 1 120 . 1 . 1 9 9 PHE HD1 H 1 7.355 0.000 . 1 . . . . A 9 PHE HD1 . 34705 1 121 . 1 . 1 9 9 PHE HD2 H 1 7.355 0.000 . 1 . . . . A 9 PHE HD2 . 34705 1 122 . 1 . 1 9 9 PHE HE1 H 1 7.310 0.000 . 1 . . . . A 9 PHE HE1 . 34705 1 123 . 1 . 1 9 9 PHE HE2 H 1 7.310 0.000 . 1 . . . . A 9 PHE HE2 . 34705 1 124 . 1 . 1 9 9 PHE CA C 13 60.875 0.000 . 1 . . . . A 9 PHE CA . 34705 1 125 . 1 . 1 9 9 PHE CB C 13 38.626 0.000 . 1 . . . . A 9 PHE CB . 34705 1 126 . 1 . 1 9 9 PHE N N 15 118.695 0.000 . 1 . . . . A 9 PHE N . 34705 1 127 . 1 . 1 10 10 ASN H H 1 8.442 0.000 . 1 . . . . A 10 ASN H . 34705 1 128 . 1 . 1 10 10 ASN HA H 1 4.496 0.000 . 1 . . . . A 10 ASN HA . 34705 1 129 . 1 . 1 10 10 ASN HB2 H 1 2.982 0.000 . 1 . . . . A 10 ASN HB2 . 34705 1 130 . 1 . 1 10 10 ASN HB3 H 1 2.785 0.000 . 1 . . . . A 10 ASN HB3 . 34705 1 131 . 1 . 1 10 10 ASN HD21 H 1 7.528 0.000 . 2 . . . . A 10 ASN HD21 . 34705 1 132 . 1 . 1 10 10 ASN HD22 H 1 6.882 0.000 . 2 . . . . A 10 ASN HD22 . 34705 1 133 . 1 . 1 10 10 ASN CA C 13 55.455 0.000 . 1 . . . . A 10 ASN CA . 34705 1 134 . 1 . 1 10 10 ASN CB C 13 38.566 0.000 . 1 . . . . A 10 ASN CB . 34705 1 135 . 1 . 1 10 10 ASN N N 15 116.749 0.000 . 1 . . . . A 10 ASN N . 34705 1 136 . 1 . 1 10 10 ASN ND2 N 15 110.649 0.000 . 1 . . . . A 10 ASN ND2 . 34705 1 137 . 1 . 1 11 11 TYR H H 1 7.881 0.000 . 1 . . . . A 11 TYR H . 34705 1 138 . 1 . 1 11 11 TYR HA H 1 4.182 0.000 . 1 . . . . A 11 TYR HA . 34705 1 139 . 1 . 1 11 11 TYR HB2 H 1 2.953 0.000 . 1 . . . . A 11 TYR HB2 . 34705 1 140 . 1 . 1 11 11 TYR HB3 H 1 2.766 0.000 . 1 . . . . A 11 TYR HB3 . 34705 1 141 . 1 . 1 11 11 TYR HD1 H 1 6.593 0.000 . 1 . . . . A 11 TYR HD1 . 34705 1 142 . 1 . 1 11 11 TYR HD2 H 1 6.593 0.000 . 1 . . . . A 11 TYR HD2 . 34705 1 143 . 1 . 1 11 11 TYR HE1 H 1 6.559 0.000 . 1 . . . . A 11 TYR HE1 . 34705 1 144 . 1 . 1 11 11 TYR HE2 H 1 6.559 0.000 . 1 . . . . A 11 TYR HE2 . 34705 1 145 . 1 . 1 11 11 TYR CA C 13 61.259 0.000 . 1 . . . . A 11 TYR CA . 34705 1 146 . 1 . 1 11 11 TYR CB C 13 39.200 0.000 . 1 . . . . A 11 TYR CB . 34705 1 147 . 1 . 1 11 11 TYR N N 15 119.137 0.000 . 1 . . . . A 11 TYR N . 34705 1 148 . 1 . 1 12 12 PHE H H 1 7.766 0.000 . 1 . . . . A 12 PHE H . 34705 1 149 . 1 . 1 12 12 PHE HA H 1 4.339 0.000 . 1 . . . . A 12 PHE HA . 34705 1 150 . 1 . 1 12 12 PHE HB2 H 1 2.911 0.000 . 1 . . . . A 12 PHE HB2 . 34705 1 151 . 1 . 1 12 12 PHE HB3 H 1 3.319 0.000 . 1 . . . . A 12 PHE HB3 . 34705 1 152 . 1 . 1 12 12 PHE HD1 H 1 7.525 0.000 . 1 . . . . A 12 PHE HD1 . 34705 1 153 . 1 . 1 12 12 PHE HD2 H 1 7.525 0.000 . 1 . . . . A 12 PHE HD2 . 34705 1 154 . 1 . 1 12 12 PHE HE1 H 1 7.313 0.000 . 1 . . . . A 12 PHE HE1 . 34705 1 155 . 1 . 1 12 12 PHE HE2 H 1 7.313 0.000 . 1 . . . . A 12 PHE HE2 . 34705 1 156 . 1 . 1 12 12 PHE HZ H 1 7.186 0.000 . 1 . . . . A 12 PHE HZ . 34705 1 157 . 1 . 1 12 12 PHE CA C 13 59.297 0.000 . 1 . . . . A 12 PHE CA . 34705 1 158 . 1 . 1 12 12 PHE CB C 13 40.253 0.000 . 1 . . . . A 12 PHE CB . 34705 1 159 . 1 . 1 12 12 PHE N N 15 114.717 0.000 . 1 . . . . A 12 PHE N . 34705 1 160 . 1 . 1 13 13 NH2 N N 15 104.807 0.000 . 1 . . . . A 13 NH2 N . 34705 1 161 . 1 . 1 13 13 NH2 HN1 H 1 7.253 0.000 . 1 . . . . A 13 NH2 HN1 . 34705 1 162 . 1 . 1 13 13 NH2 HN2 H 1 7.086 0.000 . 1 . . . . A 13 NH2 HN2 . 34705 1 stop_ save_