################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25965 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25965 1 2 '3D HNCACB' 1 $sample_1 isotropic 25965 1 3 '3D HNCA' 1 $sample_1 isotropic 25965 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 25965 1 5 '3D HNCO' 1 $sample_1 isotropic 25965 1 6 '3D HN(CA)CO' 1 $sample_1 isotropic 25965 1 8 '3D H(CCO)NH' 1 $sample_1 isotropic 25965 1 9 '3D 1H-13C NOESY' 1 $sample_1 isotropic 25965 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 1 1 MET H H 1 8.314 0.020 . 1 . . . A 1 MET H . 25965 1 2 . 1 1 1 1 MET HA H 1 4.477 0.020 . 1 . . . A 1 MET HA . 25965 1 3 . 1 1 1 1 MET HB2 H 1 2.146 0.020 . 2 . . . A 1 MET HB2 . 25965 1 4 . 1 1 1 1 MET HB3 H 1 2.067 0.020 . 2 . . . A 1 MET HB3 . 25965 1 5 . 1 1 1 1 MET HG2 H 1 2.646 0.020 . 2 . . . A 1 MET HG2 . 25965 1 6 . 1 1 1 1 MET HG3 H 1 2.569 0.020 . 2 . . . A 1 MET HG3 . 25965 1 7 . 1 1 1 1 MET C C 13 173.589 0.300 . 1 . . . A 1 MET C . 25965 1 8 . 1 1 1 1 MET CA C 13 55.814 0.300 . 1 . . . A 1 MET CA . 25965 1 9 . 1 1 1 1 MET CB C 13 32.607 0.300 . 1 . . . A 1 MET CB . 25965 1 10 . 1 1 1 1 MET CG C 13 32.409 0.300 . 1 . . . A 1 MET CG . 25965 1 11 . 1 1 1 1 MET N N 15 119.046 0.300 . 1 . . . A 1 MET N . 25965 1 12 . 1 1 2 2 GLU H H 1 8.263 0.020 . 1 . . . A 2 GLU H . 25965 1 13 . 1 1 2 2 GLU HA H 1 4.335 0.020 . 1 . . . A 2 GLU HA . 25965 1 14 . 1 1 2 2 GLU HB2 H 1 2.111 0.020 . 2 . . . A 2 GLU HB2 . 25965 1 15 . 1 1 2 2 GLU HB3 H 1 2.047 0.020 . 2 . . . A 2 GLU HB3 . 25965 1 16 . 1 1 2 2 GLU HG2 H 1 2.327 0.020 . 2 . . . A 2 GLU HG2 . 25965 1 17 . 1 1 2 2 GLU HG3 H 1 2.327 0.020 . 2 . . . A 2 GLU HG3 . 25965 1 18 . 1 1 2 2 GLU C C 13 172.991 0.300 . 1 . . . A 2 GLU C . 25965 1 19 . 1 1 2 2 GLU CA C 13 56.813 0.300 . 1 . . . A 2 GLU CA . 25965 1 20 . 1 1 2 2 GLU CB C 13 30.173 0.300 . 1 . . . A 2 GLU CB . 25965 1 21 . 1 1 2 2 GLU CG C 13 35.127 0.300 . 1 . . . A 2 GLU CG . 25965 1 22 . 1 1 2 2 GLU N N 15 121.776 0.300 . 1 . . . A 2 GLU N . 25965 1 23 . 1 1 3 3 ASN H H 1 8.418 0.020 . 1 . . . A 3 ASN H . 25965 1 24 . 1 1 3 3 ASN HA H 1 4.815 0.020 . 1 . . . A 3 ASN HA . 25965 1 25 . 1 1 3 3 ASN HB2 H 1 2.919 0.020 . 2 . . . A 3 ASN HB2 . 25965 1 26 . 1 1 3 3 ASN HB3 H 1 2.843 0.020 . 2 . . . A 3 ASN HB3 . 25965 1 27 . 1 1 3 3 ASN HD21 H 1 6.902 0.020 . 2 . . . A 3 ASN HD21 . 25965 1 28 . 1 1 3 3 ASN HD22 H 1 7.572 0.020 . 2 . . . A 3 ASN HD22 . 25965 1 29 . 1 1 3 3 ASN C C 13 172.714 0.300 . 1 . . . A 3 ASN C . 25965 1 30 . 1 1 3 3 ASN CA C 13 53.589 0.300 . 1 . . . A 3 ASN CA . 25965 1 31 . 1 1 3 3 ASN CB C 13 38.961 0.300 . 1 . . . A 3 ASN CB . 25965 1 32 . 1 1 3 3 ASN N N 15 120.144 0.300 . 1 . . . A 3 ASN N . 25965 1 33 . 1 1 3 3 ASN ND2 N 15 113.188 0.300 . 1 . . . A 3 ASN ND2 . 25965 1 34 . 1 1 4 4 THR H H 1 8.149 0.020 . 1 . . . A 4 THR H . 25965 1 35 . 1 1 4 4 THR HA H 1 4.391 0.020 . 1 . . . A 4 THR HA . 25965 1 36 . 1 1 4 4 THR HB H 1 4.316 0.020 . 1 . . . A 4 THR HB . 25965 1 37 . 1 1 4 4 THR HG21 H 1 1.245 0.020 . 1 . . . A 4 THR HG21 . 25965 1 38 . 1 1 4 4 THR HG22 H 1 1.245 0.020 . 1 . . . A 4 THR HG22 . 25965 1 39 . 1 1 4 4 THR HG23 H 1 1.245 0.020 . 1 . . . A 4 THR HG23 . 25965 1 40 . 1 1 4 4 THR C C 13 171.795 0.300 . 1 . . . A 4 THR C . 25965 1 41 . 1 1 4 4 THR CA C 13 62.333 0.300 . 1 . . . A 4 THR CA . 25965 1 42 . 1 1 4 4 THR CB C 13 69.439 0.300 . 1 . . . A 4 THR CB . 25965 1 43 . 1 1 4 4 THR CG2 C 13 21.742 0.300 . 1 . . . A 4 THR CG2 . 25965 1 44 . 1 1 4 4 THR N N 15 115.124 0.300 . 1 . . . A 4 THR N . 25965 1 45 . 1 1 5 5 SER H H 1 8.287 0.020 . 1 . . . A 5 SER H . 25965 1 46 . 1 1 5 5 SER HA H 1 4.546 0.020 . 1 . . . A 5 SER HA . 25965 1 47 . 1 1 5 5 SER HB2 H 1 3.935 0.020 . 2 . . . A 5 SER HB2 . 25965 1 48 . 1 1 5 5 SER HB3 H 1 3.935 0.020 . 2 . . . A 5 SER HB3 . 25965 1 49 . 1 1 5 5 SER C C 13 172.262 0.300 . 1 . . . A 5 SER C . 25965 1 50 . 1 1 5 5 SER CA C 13 58.855 0.300 . 1 . . . A 5 SER CA . 25965 1 51 . 1 1 5 5 SER CB C 13 64.151 0.300 . 1 . . . A 5 SER CB . 25965 1 52 . 1 1 5 5 SER N N 15 118.789 0.300 . 1 . . . A 5 SER N . 25965 1 53 . 1 1 6 6 ILE H H 1 8.249 0.020 . 1 . . . A 6 ILE H . 25965 1 54 . 1 1 6 6 ILE HA H 1 4.245 0.020 . 1 . . . A 6 ILE HA . 25965 1 55 . 1 1 6 6 ILE HB H 1 1.954 0.020 . 1 . . . A 6 ILE HB . 25965 1 56 . 1 1 6 6 ILE HG12 H 1 1.565 0.020 . 2 . . . A 6 ILE HG12 . 25965 1 57 . 1 1 6 6 ILE HG13 H 1 1.250 0.020 . 2 . . . A 6 ILE HG13 . 25965 1 58 . 1 1 6 6 ILE HG21 H 1 0.957 0.020 . 1 . . . A 6 ILE HG21 . 25965 1 59 . 1 1 6 6 ILE HG22 H 1 0.957 0.020 . 1 . . . A 6 ILE HG22 . 25965 1 60 . 1 1 6 6 ILE HG23 H 1 0.957 0.020 . 1 . . . A 6 ILE HG23 . 25965 1 61 . 1 1 6 6 ILE HD11 H 1 0.902 0.020 . 1 . . . A 6 ILE HD11 . 25965 1 62 . 1 1 6 6 ILE HD12 H 1 0.902 0.020 . 1 . . . A 6 ILE HD12 . 25965 1 63 . 1 1 6 6 ILE HD13 H 1 0.902 0.020 . 1 . . . A 6 ILE HD13 . 25965 1 64 . 1 1 6 6 ILE C C 13 172.269 0.300 . 1 . . . A 6 ILE C . 25965 1 65 . 1 1 6 6 ILE CA C 13 62.006 0.300 . 1 . . . A 6 ILE CA . 25965 1 66 . 1 1 6 6 ILE CB C 13 38.466 0.300 . 1 . . . A 6 ILE CB . 25965 1 67 . 1 1 6 6 ILE CG1 C 13 27.844 0.300 . 1 . . . A 6 ILE CG1 . 25965 1 68 . 1 1 6 6 ILE CG2 C 13 17.605 0.300 . 1 . . . A 6 ILE CG2 . 25965 1 69 . 1 1 6 6 ILE CD1 C 13 13.194 0.300 . 1 . . . A 6 ILE CD1 . 25965 1 70 . 1 1 6 6 ILE N N 15 123.021 0.300 . 1 . . . A 6 ILE N . 25965 1 71 . 1 1 7 7 THR H H 1 8.081 0.020 . 1 . . . A 7 THR H . 25965 1 72 . 1 1 7 7 THR HA H 1 4.316 0.020 . 1 . . . A 7 THR HA . 25965 1 73 . 1 1 7 7 THR HB H 1 4.263 0.020 . 1 . . . A 7 THR HB . 25965 1 74 . 1 1 7 7 THR HG21 H 1 1.237 0.020 . 1 . . . A 7 THR HG21 . 25965 1 75 . 1 1 7 7 THR HG22 H 1 1.237 0.020 . 1 . . . A 7 THR HG22 . 25965 1 76 . 1 1 7 7 THR HG23 H 1 1.237 0.020 . 1 . . . A 7 THR HG23 . 25965 1 77 . 1 1 7 7 THR C C 13 172.714 0.300 . 1 . . . A 7 THR C . 25965 1 78 . 1 1 7 7 THR CA C 13 63.008 0.300 . 1 . . . A 7 THR CA . 25965 1 79 . 1 1 7 7 THR CB C 13 69.536 0.300 . 1 . . . A 7 THR CB . 25965 1 80 . 1 1 7 7 THR CG2 C 13 22.016 0.300 . 1 . . . A 7 THR CG2 . 25965 1 81 . 1 1 7 7 THR N N 15 118.033 0.300 . 1 . . . A 7 THR N . 25965 1 82 . 1 1 8 8 ILE H H 1 8.073 0.020 . 1 . . . A 8 ILE H . 25965 1 83 . 1 1 8 8 ILE HA H 1 4.114 0.020 . 1 . . . A 8 ILE HA . 25965 1 84 . 1 1 8 8 ILE HB H 1 1.891 0.020 . 1 . . . A 8 ILE HB . 25965 1 85 . 1 1 8 8 ILE HG12 H 1 1.543 0.020 . 2 . . . A 8 ILE HG12 . 25965 1 86 . 1 1 8 8 ILE HG13 H 1 1.197 0.020 . 2 . . . A 8 ILE HG13 . 25965 1 87 . 1 1 8 8 ILE HG21 H 1 0.869 0.020 . 1 . . . A 8 ILE HG21 . 25965 1 88 . 1 1 8 8 ILE HG22 H 1 0.869 0.020 . 1 . . . A 8 ILE HG22 . 25965 1 89 . 1 1 8 8 ILE HG23 H 1 0.869 0.020 . 1 . . . A 8 ILE HG23 . 25965 1 90 . 1 1 8 8 ILE HD11 H 1 0.868 0.020 . 1 . . . A 8 ILE HD11 . 25965 1 91 . 1 1 8 8 ILE HD12 H 1 0.868 0.020 . 1 . . . A 8 ILE HD12 . 25965 1 92 . 1 1 8 8 ILE HD13 H 1 0.868 0.020 . 1 . . . A 8 ILE HD13 . 25965 1 93 . 1 1 8 8 ILE C C 13 172.597 0.300 . 1 . . . A 8 ILE C . 25965 1 94 . 1 1 8 8 ILE CA C 13 62.223 0.300 . 1 . . . A 8 ILE CA . 25965 1 95 . 1 1 8 8 ILE CB C 13 38.336 0.300 . 1 . . . A 8 ILE CB . 25965 1 96 . 1 1 8 8 ILE CG1 C 13 27.848 0.300 . 1 . . . A 8 ILE CG1 . 25965 1 97 . 1 1 8 8 ILE CG2 C 13 17.485 0.300 . 1 . . . A 8 ILE CG2 . 25965 1 98 . 1 1 8 8 ILE CD1 C 13 13.000 0.300 . 1 . . . A 8 ILE CD1 . 25965 1 99 . 1 1 8 8 ILE N N 15 123.571 0.300 . 1 . . . A 8 ILE N . 25965 1 100 . 1 1 9 9 GLU H H 1 8.257 0.020 . 1 . . . A 9 GLU H . 25965 1 101 . 1 1 9 9 GLU HA H 1 4.280 0.020 . 1 . . . A 9 GLU HA . 25965 1 102 . 1 1 9 9 GLU HB2 H 1 2.032 0.020 . 2 . . . A 9 GLU HB2 . 25965 1 103 . 1 1 9 9 GLU HB3 H 1 2.010 0.020 . 2 . . . A 9 GLU HB3 . 25965 1 104 . 1 1 9 9 GLU HG2 H 1 2.304 0.020 . 2 . . . A 9 GLU HG2 . 25965 1 105 . 1 1 9 9 GLU HG3 H 1 2.251 0.020 . 2 . . . A 9 GLU HG3 . 25965 1 106 . 1 1 9 9 GLU C C 13 173.866 0.300 . 1 . . . A 9 GLU C . 25965 1 107 . 1 1 9 9 GLU CA C 13 57.456 0.300 . 1 . . . A 9 GLU CA . 25965 1 108 . 1 1 9 9 GLU CB C 13 29.875 0.300 . 1 . . . A 9 GLU CB . 25965 1 109 . 1 1 9 9 GLU CG C 13 35.418 0.300 . 1 . . . A 9 GLU CG . 25965 1 110 . 1 1 9 9 GLU N N 15 124.150 0.300 . 1 . . . A 9 GLU N . 25965 1 111 . 1 1 10 10 PHE H H 1 8.340 0.020 . 1 . . . A 10 PHE H . 25965 1 112 . 1 1 10 10 PHE HA H 1 4.504 0.020 . 1 . . . A 10 PHE HA . 25965 1 113 . 1 1 10 10 PHE HB2 H 1 3.203 0.020 . 2 . . . A 10 PHE HB2 . 25965 1 114 . 1 1 10 10 PHE HB3 H 1 3.145 0.020 . 2 . . . A 10 PHE HB3 . 25965 1 115 . 1 1 10 10 PHE HD1 H 1 7.216 0.020 . 3 . . . A 10 PHE HD1 . 25965 1 116 . 1 1 10 10 PHE HD2 H 1 7.216 0.020 . 3 . . . A 10 PHE HD2 . 25965 1 117 . 1 1 10 10 PHE C C 13 173.472 0.300 . 1 . . . A 10 PHE C . 25965 1 118 . 1 1 10 10 PHE CA C 13 59.473 0.300 . 1 . . . A 10 PHE CA . 25965 1 119 . 1 1 10 10 PHE CB C 13 39.545 0.300 . 1 . . . A 10 PHE CB . 25965 1 120 . 1 1 10 10 PHE CD1 C 13 131.162 0.300 . 1 . . . A 10 PHE CD1 . 25965 1 121 . 1 1 10 10 PHE CD2 C 13 131.162 0.300 . 1 . . . A 10 PHE CD2 . 25965 1 122 . 1 1 10 10 PHE N N 15 120.712 0.300 . 1 . . . A 10 PHE N . 25965 1 123 . 1 1 11 11 SER H H 1 8.228 0.020 . 1 . . . A 11 SER H . 25965 1 124 . 1 1 11 11 SER HA H 1 4.342 0.020 . 1 . . . A 11 SER HA . 25965 1 125 . 1 1 11 11 SER HB2 H 1 4.079 0.020 . 2 . . . A 11 SER HB2 . 25965 1 126 . 1 1 11 11 SER HB3 H 1 3.917 0.020 . 2 . . . A 11 SER HB3 . 25965 1 127 . 1 1 11 11 SER CA C 13 60.190 0.300 . 1 . . . A 11 SER CA . 25965 1 128 . 1 1 11 11 SER CB C 13 63.535 0.300 . 1 . . . A 11 SER CB . 25965 1 129 . 1 1 11 11 SER N N 15 115.870 0.300 . 1 . . . A 11 SER N . 25965 1 130 . 1 1 12 12 SER H H 1 8.315 0.020 . 1 . . . A 12 SER H . 25965 1 131 . 1 1 12 12 SER HA H 1 4.328 0.020 . 1 . . . A 12 SER HA . 25965 1 132 . 1 1 12 12 SER HB2 H 1 3.958 0.020 . 2 . . . A 12 SER HB2 . 25965 1 133 . 1 1 12 12 SER HB3 H 1 3.927 0.020 . 2 . . . A 12 SER HB3 . 25965 1 134 . 1 1 12 12 SER C C 13 173.093 0.300 . 1 . . . A 12 SER C . 25965 1 135 . 1 1 12 12 SER CA C 13 60.342 0.300 . 1 . . . A 12 SER CA . 25965 1 136 . 1 1 12 12 SER CB C 13 64.015 0.300 . 1 . . . A 12 SER CB . 25965 1 137 . 1 1 12 12 SER N N 15 117.750 0.300 . 1 . . . A 12 SER N . 25965 1 138 . 1 1 13 13 LYS H H 1 7.996 0.020 . 1 . . . A 13 LYS H . 25965 1 139 . 1 1 13 13 LYS HA H 1 4.270 0.020 . 1 . . . A 13 LYS HA . 25965 1 140 . 1 1 13 13 LYS HB2 H 1 1.685 0.020 . 2 . . . A 13 LYS HB2 . 25965 1 141 . 1 1 13 13 LYS HB3 H 1 1.628 0.020 . 2 . . . A 13 LYS HB3 . 25965 1 142 . 1 1 13 13 LYS HG2 H 1 1.260 0.020 . 2 . . . A 13 LYS HG2 . 25965 1 143 . 1 1 13 13 LYS HG3 H 1 1.226 0.020 . 2 . . . A 13 LYS HG3 . 25965 1 144 . 1 1 13 13 LYS HD2 H 1 1.620 0.020 . 2 . . . A 13 LYS HD2 . 25965 1 145 . 1 1 13 13 LYS HD3 H 1 1.620 0.020 . 2 . . . A 13 LYS HD3 . 25965 1 146 . 1 1 13 13 LYS HE2 H 1 2.944 0.020 . 2 . . . A 13 LYS HE2 . 25965 1 147 . 1 1 13 13 LYS HE3 H 1 2.944 0.020 . 2 . . . A 13 LYS HE3 . 25965 1 148 . 1 1 13 13 LYS C C 13 174.026 0.300 . 1 . . . A 13 LYS C . 25965 1 149 . 1 1 13 13 LYS CA C 13 57.679 0.300 . 1 . . . A 13 LYS CA . 25965 1 150 . 1 1 13 13 LYS CB C 13 32.630 0.300 . 1 . . . A 13 LYS CB . 25965 1 151 . 1 1 13 13 LYS CG C 13 24.823 0.300 . 1 . . . A 13 LYS CG . 25965 1 152 . 1 1 13 13 LYS CD C 13 28.938 0.300 . 1 . . . A 13 LYS CD . 25965 1 153 . 1 1 13 13 LYS CE C 13 42.183 0.300 . 1 . . . A 13 LYS CE . 25965 1 154 . 1 1 13 13 LYS N N 15 121.462 0.300 . 1 . . . A 13 LYS N . 25965 1 155 . 1 1 14 14 PHE H H 1 7.894 0.020 . 1 . . . A 14 PHE H . 25965 1 156 . 1 1 14 14 PHE HA H 1 4.743 0.020 . 1 . . . A 14 PHE HA . 25965 1 157 . 1 1 14 14 PHE HB2 H 1 2.837 0.020 . 2 . . . A 14 PHE HB2 . 25965 1 158 . 1 1 14 14 PHE HB3 H 1 2.818 0.020 . 2 . . . A 14 PHE HB3 . 25965 1 159 . 1 1 14 14 PHE HD1 H 1 6.918 0.020 . 3 . . . A 14 PHE HD1 . 25965 1 160 . 1 1 14 14 PHE HD2 H 1 6.918 0.020 . 3 . . . A 14 PHE HD2 . 25965 1 161 . 1 1 14 14 PHE CA C 13 58.610 0.300 . 1 . . . A 14 PHE CA . 25965 1 162 . 1 1 14 14 PHE CB C 13 39.213 0.300 . 1 . . . A 14 PHE CB . 25965 1 163 . 1 1 14 14 PHE N N 15 116.104 0.300 . 1 . . . A 14 PHE N . 25965 1 stop_ save_