################################### # 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 52252 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NL63 ETM (7-37) pH 7.4' _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 '2D 13C-detected CORD' . . . 52252 1 2 '2D 13C-detected NCA' . . . 52252 1 3 '3D NCACX' . . . 52252 1 4 '3D NCOCX' . . . 52252 1 5 '3D CONCA' . . . 52252 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52252 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 ASP C C 13 173.2 0.00 . 1 . . . . . 7 D C . 52252 1 2 . 1 . 1 1 1 ASP CA C 13 54 0.00 . 1 . . . . . 7 D CA . 52252 1 3 . 1 . 1 1 1 ASP CB C 13 40.5 0.00 . 1 . . . . . 7 D CB . 52252 1 4 . 1 . 1 2 2 ASP C C 13 177 0.00 . 1 . . . . . 8 D C . 52252 1 5 . 1 . 1 2 2 ASP CA C 13 55.3 0.00 . 1 . . . . . 8 D CA . 52252 1 6 . 1 . 1 2 2 ASP CB C 13 41.7 0.00 . 1 . . . . . 8 D CB . 52252 1 7 . 1 . 1 2 2 ASP N N 15 116.1 0.00 . 1 . . . . . 8 D N . 52252 1 8 . 1 . 1 3 3 ASN C C 13 176.8 0.09 . 1 . . . . . 9 N C . 52252 1 9 . 1 . 1 3 3 ASN CA C 13 54.7 0.07 . 1 . . . . . 9 N CA . 52252 1 10 . 1 . 1 3 3 ASN CB C 13 38.9 0.00 . 1 . . . . . 9 N CB . 52252 1 11 . 1 . 1 3 3 ASN N N 15 118.8 0.08 . 1 . . . . . 9 N N . 52252 1 12 . 1 . 1 4 4 GLY C C 13 176.2 0.18 . 1 . . . . . 10 G C . 52252 1 13 . 1 . 1 4 4 GLY CA C 13 47.7 0.32 . 1 . . . . . 10 G CA . 52252 1 14 . 1 . 1 4 4 GLY N N 15 107.7 0.12 . 1 . . . . . 10 G N . 52252 1 15 . 1 . 1 5 5 ILE C C 13 179 0.20 . 1 . . . . . 11 I C . 52252 1 16 . 1 . 1 5 5 ILE CA C 13 64.4 0.33 . 1 . . . . . 11 I CA . 52252 1 17 . 1 . 1 5 5 ILE CB C 13 38.3 0.22 . 1 . . . . . 11 I CB . 52252 1 18 . 1 . 1 5 5 ILE CG1 C 13 29.12 0.39 . 1 . . . . . 11 I CG1 . 52252 1 19 . 1 . 1 5 5 ILE CG2 C 13 13.6 0.0 . 1 . . . . . 11 I CG2 . 52252 1 20 . 1 . 1 5 5 ILE CD1 C 13 18.04 0.16 . 1 . . . . . 11 I CD1 . 52252 1 21 . 1 . 1 5 5 ILE N N 15 119.4 0.20 . 1 . . . . . 11 I N . 52252 1 22 . 1 . 1 6 6 VAL C C 13 178 0.07 . 1 . . . . . 12 V C . 52252 1 23 . 1 . 1 6 6 VAL CA C 13 67.7 0.17 . 1 . . . . . 12 V CA . 52252 1 24 . 1 . 1 6 6 VAL CB C 13 31.6 0.09 . 1 . . . . . 12 V CB . 52252 1 25 . 1 . 1 6 6 VAL CG1 C 13 23.62 0.08 . 1 . . . . . 12 V CG1 . 52252 1 26 . 1 . 1 6 6 VAL CG2 C 13 22.4 0.25 . 1 . . . . . 12 V CG2 . 52252 1 27 . 1 . 1 6 6 VAL N N 15 122.9 0.56 . 1 . . . . . 12 V N . 52252 1 28 . 1 . 1 7 7 LEU C C 13 178.7 0.53 . 5 . . . . . 13 L C . 52252 1 29 . 1 . 1 7 7 LEU CA C 13 58.7 0.07 . 5 . . . . . 13 L CA . 52252 1 30 . 1 . 1 7 7 LEU CB C 13 41.9 0.20 . 5 . . . . . 13 L CB . 52252 1 31 . 1 . 1 7 7 LEU CG C 13 27.2 0.00 . 5 . . . . . 13 L CG . 52252 1 32 . 1 . 1 8 8 ASN C C 13 178.1 0.35 . 1 . . . . . 14 N C . 52252 1 33 . 1 . 1 8 8 ASN CA C 13 56.9 0.08 . 1 . . . . . 14 N CA . 52252 1 34 . 1 . 1 8 8 ASN CB C 13 38.6 0.37 . 1 . . . . . 14 N CB . 52252 1 35 . 1 . 1 8 8 ASN CG C 13 175.9 0.08 . 1 . . . . . 14 N CG . 52252 1 36 . 1 . 1 8 8 ASN N N 15 116 0.18 . 1 . . . . . 14 N N . 52252 1 37 . 1 . 1 8 8 ASN ND2 N 15 110.1 0.17 . 1 . . . . . 14 N ND . 52252 1 38 . 1 . 1 9 9 SER C C 13 175.8 0.15 . 1 . . . . . 15 S C . 52252 1 39 . 1 . 1 9 9 SER CA C 13 63.6 0.15 . 1 . . . . . 15 S CA . 52252 1 40 . 1 . 1 9 9 SER CB C 13 63.9 0.10 . 1 . . . . . 15 S CB . 52252 1 41 . 1 . 1 9 9 SER N N 15 115.3 0.24 . 1 . . . . . 15 S N . 52252 1 42 . 1 . 1 10 10 ILE C C 13 177.5 0.07 . 1 . . . . . 16 I C . 52252 1 43 . 1 . 1 10 10 ILE CA C 13 66.4 0.11 . 1 . . . . . 16 I CA . 52252 1 44 . 1 . 1 10 10 ILE CB C 13 38.2 0.09 . 1 . . . . . 16 I CB . 52252 1 45 . 1 . 1 10 10 ILE CG1 C 13 31 0.00 . 1 . . . . . 16 I CG1 . 52252 1 46 . 1 . 1 10 10 ILE CG2 C 13 17.6 0.38 . 1 . . . . . 16 I CG2 . 52252 1 47 . 1 . 1 10 10 ILE CD1 C 13 14.8 0.14 . 1 . . . . . 16 I CD1 . 52252 1 48 . 1 . 1 10 10 ILE N N 15 120.9 0.20 . 1 . . . . . 16 I N . 52252 1 49 . 1 . 1 11 11 LEU C C 13 178.7 0.79 . 5 . . . . . 17 L C . 52252 1 50 . 1 . 1 11 11 LEU CA C 13 58.7 0.09 . 5 . . . . . 17 L CA . 52252 1 51 . 1 . 1 11 11 LEU CB C 13 41.9 0.05 . 5 . . . . . 17 L CB . 52252 1 52 . 1 . 1 11 11 LEU CG C 13 27.2 0.04 . 5 . . . . . 17 L CG . 52252 1 53 . 1 . 1 12 12 TRP CA C 13 60.9 0.15 . 1 . . . . . 18 W CA . 52252 1 54 . 1 . 1 12 12 TRP CB C 13 29.6 0.04 . 1 . . . . . 18 W CB . 52252 1 55 . 1 . 1 13 13 LEU C C 13 178.7 0.05 . 5 . . . . . 19 L C . 52252 1 56 . 1 . 1 13 13 LEU CA C 13 58.7 0.09 . 5 . . . . . 19 L CA . 52252 1 57 . 1 . 1 13 13 LEU CB C 13 41.9 0.20 . 5 . . . . . 19 L CB . 52252 1 58 . 1 . 1 13 13 LEU CG C 13 27.2 0.00 . 5 . . . . . 19 L CG . 52252 1 59 . 1 . 1 14 14 LEU C C 13 179.3 0.05 . 5 . . . . . 20 L C . 52252 1 60 . 1 . 1 14 14 LEU CA C 13 58.6 0.09 . 5 . . . . . 20 L CA . 52252 1 61 . 1 . 1 14 14 LEU CB C 13 42.08 0.20 . 5 . . . . . 20 L CB . 52252 1 62 . 1 . 1 14 14 LEU CG C 13 27 0.00 . 5 . . . . . 20 L CG . 52252 1 63 . 1 . 1 14 14 LEU CD1 C 13 27.2 0.00 . 5 . . . . . 20 L CD . 52252 1 64 . 1 . 1 14 14 LEU CD2 C 13 27.2 0.00 . 5 . . . . . 20 L CD . 52252 1 65 . 1 . 1 15 15 VAL C C 13 178.1 0.03 . 1 . . . . . 21 V C . 52252 1 66 . 1 . 1 15 15 VAL CA C 13 67.6 0.11 . 1 . . . . . 21 V CA . 52252 1 67 . 1 . 1 15 15 VAL CB C 13 31.7 0.10 . 1 . . . . . 21 V CB . 52252 1 68 . 1 . 1 15 15 VAL CG1 C 13 22.3 0.26 . 1 . . . . . 21 V CG1 . 52252 1 69 . 1 . 1 15 15 VAL CG2 C 13 23.8 0.00 . 1 . . . . . 21 V CG2 . 52252 1 70 . 1 . 1 15 15 VAL N N 15 119.7 0.04 . 1 . . . . . 21 V N . 52252 1 71 . 1 . 1 16 16 MET C C 13 178.6 0.12 . 1 . . . . . 22 M C . 52252 1 72 . 1 . 1 16 16 MET CA C 13 60.5 0.46 . 1 . . . . . 22 M CA . 52252 1 73 . 1 . 1 16 16 MET CB C 13 33.6 0.13 . 1 . . . . . 22 M CB . 52252 1 74 . 1 . 1 16 16 MET N N 15 115.9 0.09 . 1 . . . . . 22 M N . 52252 1 75 . 1 . 1 17 17 ILE C C 13 177.9 0.12 . 1 . . . . . 23 I C . 52252 1 76 . 1 . 1 17 17 ILE CA C 13 66.4 0.14 . 1 . . . . . 23 I CA . 52252 1 77 . 1 . 1 17 17 ILE CB C 13 38.4 0.00 . 1 . . . . . 23 I CB . 52252 1 78 . 1 . 1 17 17 ILE CG1 C 13 30 0.09 . 1 . . . . . 23 I CG1 . 52252 1 79 . 1 . 1 17 17 ILE CG2 C 13 17.9 0.09 . 1 . . . . . 23 I CG2 . 52252 1 80 . 1 . 1 17 17 ILE CD1 C 13 14.4 0.00 . 1 . . . . . 23 I CD1 . 52252 1 81 . 1 . 1 17 17 ILE N N 15 118.6 0.19 . 1 . . . . . 23 I N . 52252 1 82 . 1 . 1 18 18 PHE C C 13 177.6 0.09 . 5 . . . . . 24 F C . 52252 1 83 . 1 . 1 18 18 PHE CA C 13 62.6 0.17 . 5 . . . . . 24 F CA . 52252 1 84 . 1 . 1 18 18 PHE CB C 13 39.49 0.00 . 5 . . . . . 24 F CB . 52252 1 85 . 1 . 1 18 18 PHE CG C 13 139.4 0.00 . 5 . . . . . 24 F CG . 52252 1 86 . 1 . 1 18 18 PHE CD1 C 13 131.5 0.25 . 5 . . . . . 24 F CD . 52252 1 87 . 1 . 1 18 18 PHE CD2 C 13 131.5 0.25 . 5 . . . . . 24 F CD . 52252 1 88 . 1 . 1 18 18 PHE N N 15 117.5 0.03 . 5 . . . . . 24 F N . 52252 1 89 . 1 . 1 19 19 PHE C C 13 177.6 0.09 . 5 . . . . . 25 F C . 52252 1 90 . 1 . 1 19 19 PHE CA C 13 62.6 0.17 . 5 . . . . . 25 F CA . 52252 1 91 . 1 . 1 19 19 PHE CB C 13 39.49 0.00 . 5 . . . . . 25 F CB . 52252 1 92 . 1 . 1 19 19 PHE CG C 13 139.4 0.00 . 5 . . . . . 25 F CG . 52252 1 93 . 1 . 1 19 19 PHE CD1 C 13 131.5 0.25 . 5 . . . . . 25 F CD . 52252 1 94 . 1 . 1 19 19 PHE CD2 C 13 131.5 0.25 . 5 . . . . . 25 F CD . 52252 1 95 . 1 . 1 19 19 PHE N N 15 117.5 0.03 . 5 . . . . . 25 F N . 52252 1 96 . 1 . 1 20 20 PHE C C 13 177.8 0.09 . 5 . . . . . 26 F C . 52252 1 97 . 1 . 1 20 20 PHE CA C 13 62.6 0.17 . 5 . . . . . 26 F CA . 52252 1 98 . 1 . 1 20 20 PHE CB C 13 39.49 0.00 . 5 . . . . . 26 F CB . 52252 1 99 . 1 . 1 20 20 PHE CG C 13 139.4 0.00 . 5 . . . . . 26 F CG . 52252 1 100 . 1 . 1 20 20 PHE CD1 C 13 131.5 0.25 . 5 . . . . . 26 F CD . 52252 1 101 . 1 . 1 20 20 PHE CD2 C 13 131.5 0.25 . 5 . . . . . 26 F CD . 52252 1 102 . 1 . 1 20 20 PHE N N 15 117.5 0.03 . 5 . . . . . 26 F N . 52252 1 103 . 1 . 1 21 21 VAL C C 13 178.1 0.01 . 1 . . . . . 27 V C . 52252 1 104 . 1 . 1 21 21 VAL CA C 13 67.3 0.14 . 1 . . . . . 27 V CA . 52252 1 105 . 1 . 1 21 21 VAL CB C 13 31.8 0.00 . 1 . . . . . 27 V CB . 52252 1 106 . 1 . 1 21 21 VAL CG1 C 13 22.2 0.00 . 1 . . . . . 27 V CG1 . 52252 1 107 . 1 . 1 21 21 VAL CG2 C 13 23.7 0.00 . 1 . . . . . 27 V CG2 . 52252 1 108 . 1 . 1 21 21 VAL N N 15 117.6 0.06 . 1 . . . . . 27 V N . 52252 1 109 . 1 . 1 22 22 LEU C C 13 178.5 0.13 . 1 . . . . . 28 L C . 52252 1 110 . 1 . 1 22 22 LEU CA C 13 58.7 0.11 . 1 . . . . . 28 L CA . 52252 1 111 . 1 . 1 22 22 LEU CB C 13 42 0.10 . 1 . . . . . 28 L CB . 52252 1 112 . 1 . 1 22 22 LEU CG C 13 27.09 0.18 . 1 . . . . . 28 L CG . 52252 1 113 . 1 . 1 22 22 LEU CD1 C 13 23.4 0.00 . 1 . . . . . 28 L CD . 52252 1 114 . 1 . 1 22 22 LEU CD2 C 13 23.4 0.00 . 1 . . . . . 28 L CD . 52252 1 115 . 1 . 1 23 23 ALA C C 13 179.4 0.07 . 1 . . . . . 29 A C . 52252 1 116 . 1 . 1 23 23 ALA CA C 13 56 0.05 . 1 . . . . . 29 A CA . 52252 1 117 . 1 . 1 23 23 ALA CB C 13 18.4 0.04 . 1 . . . . . 29 A CB . 52252 1 118 . 1 . 1 23 23 ALA N N 15 120.1 0.24 . 1 . . . . . 29 A N . 52252 1 119 . 1 . 1 24 24 MET C C 13 178.8 0.26 . 1 . . . . . 30 M C . 52252 1 120 . 1 . 1 24 24 MET CA C 13 56.5 0.22 . 1 . . . . . 30 M CA . 52252 1 121 . 1 . 1 24 24 MET CB C 13 33 0.09 . 1 . . . . . 30 M CB . 52252 1 122 . 1 . 1 24 24 MET N N 15 112.2 0.22 . 1 . . . . . 30 M N . 52252 1 123 . 1 . 1 25 25 THR C C 13 175.8 0.17 . 1 . . . . . 31 T C . 52252 1 124 . 1 . 1 25 25 THR CA C 13 67.6 0.08 . 1 . . . . . 31 T CA . 52252 1 125 . 1 . 1 25 25 THR CB C 13 68.2 0.16 . 1 . . . . . 31 T CB . 52252 1 126 . 1 . 1 25 25 THR CG2 C 13 22.02 0.27 . 1 . . . . . 31 T CG . 52252 1 127 . 1 . 1 25 25 THR N N 15 116.9 0.18 . 1 . . . . . 31 T N . 52252 1 128 . 1 . 1 26 26 PHE C C 13 177.7 0.37 . 1 . . . . . 32 F C . 52252 1 129 . 1 . 1 26 26 PHE CA C 13 62.9 0.32 . 1 . . . . . 32 F CA . 52252 1 130 . 1 . 1 26 26 PHE CB C 13 39.4 0.35 . 1 . . . . . 32 F CB . 52252 1 131 . 1 . 1 26 26 PHE CD1 C 13 131.5 0.24 . 1 . . . . . 32 F CD . 52252 1 132 . 1 . 1 26 26 PHE CD2 C 13 131.5 0.24 . 1 . . . . . 32 F CD . 52252 1 133 . 1 . 1 26 26 PHE N N 15 119.8 0.13 . 1 . . . . . 32 F N . 52252 1 134 . 1 . 1 27 27 ILE C C 13 177.9 0.13 . 1 . . . . . 33 I C . 52252 1 135 . 1 . 1 27 27 ILE CA C 13 66.2 0.20 . 1 . . . . . 33 I CA . 52252 1 136 . 1 . 1 27 27 ILE CB C 13 38.4 0.02 . 1 . . . . . 33 I CB . 52252 1 137 . 1 . 1 27 27 ILE CG1 C 13 29.9 0.02 . 1 . . . . . 33 I CG1 . 52252 1 138 . 1 . 1 27 27 ILE CG2 C 13 17.8 0.39 . 1 . . . . . 33 I CG2 . 52252 1 139 . 1 . 1 27 27 ILE CD1 C 13 14.4 0.08 . 1 . . . . . 33 I CD1 . 52252 1 140 . 1 . 1 27 27 ILE N N 15 116.4 0.08 . 1 . . . . . 33 I N . 52252 1 141 . 1 . 1 28 28 LYS C C 13 178.6 0.10 . 1 . . . . . 34 K C . 52252 1 142 . 1 . 1 28 28 LYS CA C 13 58.6 0.11 . 1 . . . . . 34 K CA . 52252 1 143 . 1 . 1 28 28 LYS CB C 13 32.3 0.00 . 1 . . . . . 34 K CB . 52252 1 144 . 1 . 1 28 28 LYS CG C 13 26 0.04 . 1 . . . . . 34 K CG . 52252 1 145 . 1 . 1 28 28 LYS CD C 13 29.1 0.12 . 1 . . . . . 34 K CD . 52252 1 146 . 1 . 1 28 28 LYS CE C 13 42.5 0.03 . 1 . . . . . 34 K CE . 52252 1 147 . 1 . 1 28 28 LYS N N 15 117 0.05 . 1 . . . . . 34 K N . 52252 1 148 . 1 . 1 28 28 LYS NZ N 15 39.6 0.00 . 1 . . . . . 34 K NZ . 52252 1 149 . 1 . 1 29 29 LEU C C 13 178.4 0.16 . 1 . . . . . 35 L C . 52252 1 150 . 1 . 1 29 29 LEU CA C 13 57 0.10 . 1 . . . . . 35 L CA . 52252 1 151 . 1 . 1 29 29 LEU CB C 13 42.9 0.16 . 1 . . . . . 35 L CB . 52252 1 152 . 1 . 1 29 29 LEU CG C 13 26.9 0.17 . 1 . . . . . 35 L CG . 52252 1 153 . 1 . 1 29 29 LEU N N 15 116.4 0.17 . 1 . . . . . 35 L N . 52252 1 154 . 1 . 1 30 30 ILE C C 13 175.7 0.11 . 1 . . . . . 36 I C . 52252 1 155 . 1 . 1 30 30 ILE CA C 13 61.7 0.07 . 1 . . . . . 36 I CA . 52252 1 156 . 1 . 1 30 30 ILE CB C 13 38.9 0.10 . 1 . . . . . 36 I CB . 52252 1 157 . 1 . 1 30 30 ILE CG1 C 13 26.9 0.04 . 1 . . . . . 36 I CG1 . 52252 1 158 . 1 . 1 30 30 ILE CG2 C 13 18.1 0.12 . 1 . . . . . 36 I CG2 . 52252 1 159 . 1 . 1 30 30 ILE CD1 C 13 14.8 0.00 . 1 . . . . . 36 I CD1 . 52252 1 160 . 1 . 1 30 30 ILE N N 15 110.5 0.21 . 1 . . . . . 36 I N . 52252 1 161 . 1 . 1 31 31 GLN C C 13 181 0.19 . 1 . . . . . 37 Q C . 52252 1 162 . 1 . 1 31 31 GLN CA C 13 58.2 0.12 . 1 . . . . . 37 Q CA . 52252 1 163 . 1 . 1 31 31 GLN CB C 13 30.5 0.00 . 1 . . . . . 37 Q CB . 52252 1 164 . 1 . 1 31 31 GLN CG C 13 34.9 0.13 . 1 . . . . . 37 Q CG . 52252 1 165 . 1 . 1 31 31 GLN CD C 13 181 0.13 . 1 . . . . . 37 Q CD . 52252 1 166 . 1 . 1 31 31 GLN N N 15 124.7 0.17 . 1 . . . . . 37 Q N . 52252 1 167 . 1 . 1 31 31 GLN NE2 N 15 110.2 0.07 . 1 . . . . . 37 Q NE . 52252 1 stop_ save_