################################### # 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 36788 _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 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36788 1 3 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36788 1 4 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36788 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 2 $software_2 . . 36788 1 4 $software_4 . . 36788 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 ILE HA H 1 3.911 0.020 . 1 . . . . A 1 ILE HA . 36788 1 2 . 1 . 1 1 1 ILE HB H 1 1.986 0.020 . 1 . . . . A 1 ILE HB . 36788 1 3 . 1 . 1 1 1 ILE HD11 H 1 0.747 0.020 . 1 . . . . A 1 ILE HD11 . 36788 1 4 . 1 . 1 1 1 ILE HD12 H 1 0.747 0.020 . 1 . . . . A 1 ILE HD12 . 36788 1 5 . 1 . 1 1 1 ILE HD13 H 1 0.747 0.020 . 1 . . . . A 1 ILE HD13 . 36788 1 6 . 1 . 1 1 1 ILE HG12 H 1 1.694 0.020 . 2 . . . . A 1 ILE HG12 . 36788 1 7 . 1 . 1 1 1 ILE HG13 H 1 1.811 0.020 . 2 . . . . A 1 ILE HG13 . 36788 1 8 . 1 . 1 1 1 ILE HG21 H 1 1.039 0.020 . 1 . . . . A 1 ILE HG21 . 36788 1 9 . 1 . 1 1 1 ILE HG22 H 1 1.039 0.020 . 1 . . . . A 1 ILE HG22 . 36788 1 10 . 1 . 1 1 1 ILE HG23 H 1 1.039 0.020 . 1 . . . . A 1 ILE HG23 . 36788 1 11 . 1 . 1 1 1 ILE CA C 13 61.207 0.400 . 1 . . . . A 1 ILE CA . 36788 1 12 . 1 . 1 1 1 ILE CB C 13 38.587 0.400 . 1 . . . . A 1 ILE CB . 36788 1 13 . 1 . 1 1 1 ILE CD1 C 13 16.070 0.400 . 1 . . . . A 1 ILE CD1 . 36788 1 14 . 1 . 1 1 1 ILE CG1 C 13 28.464 0.400 . 1 . . . . A 1 ILE CG1 . 36788 1 15 . 1 . 1 1 1 ILE CG2 C 13 24.029 0.400 . 1 . . . . A 1 ILE CG2 . 36788 1 16 . 1 . 1 2 2 TRP H H 1 8.345 0.020 . 1 . . . . A 2 TRP H . 36788 1 17 . 1 . 1 2 2 TRP HA H 1 4.688 0.020 . 1 . . . . A 2 TRP HA . 36788 1 18 . 1 . 1 2 2 TRP HB2 H 1 3.412 0.020 . 2 . . . . A 2 TRP HB2 . 36788 1 19 . 1 . 1 2 2 TRP HB3 H 1 3.504 0.020 . 2 . . . . A 2 TRP HB3 . 36788 1 20 . 1 . 1 2 2 TRP HD1 H 1 7.555 0.020 . 1 . . . . A 2 TRP HD1 . 36788 1 21 . 1 . 1 2 2 TRP HE1 H 1 10.271 0.020 . 1 . . . . A 2 TRP HE1 . 36788 1 22 . 1 . 1 2 2 TRP HE3 H 1 7.046 0.020 . 1 . . . . A 2 TRP HE3 . 36788 1 23 . 1 . 1 2 2 TRP HH2 H 1 7.154 0.020 . 1 . . . . A 2 TRP HH2 . 36788 1 24 . 1 . 1 2 2 TRP HZ2 H 1 7.510 0.020 . 1 . . . . A 2 TRP HZ2 . 36788 1 25 . 1 . 1 2 2 TRP HZ3 H 1 7.579 0.020 . 1 . . . . A 2 TRP HZ3 . 36788 1 26 . 1 . 1 2 2 TRP CB C 13 29.341 0.400 . 1 . . . . A 2 TRP CB . 36788 1 27 . 1 . 1 2 2 TRP N N 15 124.257 0.400 . 1 . . . . A 2 TRP N . 36788 1 28 . 1 . 1 2 2 TRP NE1 N 15 129.092 0.400 . 1 . . . . A 2 TRP NE1 . 36788 1 29 . 1 . 1 3 3 LEU H H 1 8.476 0.020 . 1 . . . . A 3 LEU H . 36788 1 30 . 1 . 1 3 3 LEU HA H 1 4.248 0.020 . 1 . . . . A 3 LEU HA . 36788 1 31 . 1 . 1 3 3 LEU HB2 H 1 1.758 0.020 . 2 . . . . A 3 LEU HB2 . 36788 1 32 . 1 . 1 3 3 LEU HB3 H 1 1.758 0.020 . 2 . . . . A 3 LEU HB3 . 36788 1 33 . 1 . 1 3 3 LEU HD11 H 1 1.018 0.020 . 2 . . . . A 3 LEU HD11 . 36788 1 34 . 1 . 1 3 3 LEU HD12 H 1 1.018 0.020 . 2 . . . . A 3 LEU HD12 . 36788 1 35 . 1 . 1 3 3 LEU HD13 H 1 1.018 0.020 . 2 . . . . A 3 LEU HD13 . 36788 1 36 . 1 . 1 3 3 LEU HD21 H 1 1.089 0.020 . 2 . . . . A 3 LEU HD21 . 36788 1 37 . 1 . 1 3 3 LEU HD22 H 1 1.089 0.020 . 2 . . . . A 3 LEU HD22 . 36788 1 38 . 1 . 1 3 3 LEU HD23 H 1 1.089 0.020 . 2 . . . . A 3 LEU HD23 . 36788 1 39 . 1 . 1 3 3 LEU HG H 1 1.661 0.020 . 1 . . . . A 3 LEU HG . 36788 1 40 . 1 . 1 3 3 LEU CA C 13 57.390 0.400 . 1 . . . . A 3 LEU CA . 36788 1 41 . 1 . 1 3 3 LEU CB C 13 41.155 0.400 . 1 . . . . A 3 LEU CB . 36788 1 42 . 1 . 1 3 3 LEU CD1 C 13 23.838 0.400 . 2 . . . . A 3 LEU CD1 . 36788 1 43 . 1 . 1 3 3 LEU CD2 C 13 24.301 0.400 . 2 . . . . A 3 LEU CD2 . 36788 1 44 . 1 . 1 3 3 LEU N N 15 120.763 0.400 . 1 . . . . A 3 LEU N . 36788 1 45 . 1 . 1 4 4 SER H H 1 8.174 0.020 . 1 . . . . A 4 SER H . 36788 1 46 . 1 . 1 4 4 SER HA H 1 4.315 0.020 . 1 . . . . A 4 SER HA . 36788 1 47 . 1 . 1 4 4 SER HB2 H 1 3.993 0.020 . 2 . . . . A 4 SER HB2 . 36788 1 48 . 1 . 1 4 4 SER HB3 H 1 3.993 0.020 . 2 . . . . A 4 SER HB3 . 36788 1 49 . 1 . 1 4 4 SER CA C 13 61.256 0.400 . 1 . . . . A 4 SER CA . 36788 1 50 . 1 . 1 4 4 SER CB C 13 62.318 0.400 . 1 . . . . A 4 SER CB . 36788 1 51 . 1 . 1 4 4 SER N N 15 115.050 0.400 . 1 . . . . A 4 SER N . 36788 1 52 . 1 . 1 5 5 LEU H H 1 7.903 0.020 . 1 . . . . A 5 LEU H . 36788 1 53 . 1 . 1 5 5 LEU HA H 1 4.310 0.020 . 1 . . . . A 5 LEU HA . 36788 1 54 . 1 . 1 5 5 LEU HB2 H 1 1.998 0.020 . 2 . . . . A 5 LEU HB2 . 36788 1 55 . 1 . 1 5 5 LEU HB3 H 1 1.921 0.020 . 2 . . . . A 5 LEU HB3 . 36788 1 56 . 1 . 1 5 5 LEU HD11 H 1 1.037 0.020 . 2 . . . . A 5 LEU HD11 . 36788 1 57 . 1 . 1 5 5 LEU HD12 H 1 1.037 0.020 . 2 . . . . A 5 LEU HD12 . 36788 1 58 . 1 . 1 5 5 LEU HD13 H 1 1.037 0.020 . 2 . . . . A 5 LEU HD13 . 36788 1 59 . 1 . 1 5 5 LEU HD21 H 1 0.993 0.020 . 2 . . . . A 5 LEU HD21 . 36788 1 60 . 1 . 1 5 5 LEU HD22 H 1 0.993 0.020 . 2 . . . . A 5 LEU HD22 . 36788 1 61 . 1 . 1 5 5 LEU HD23 H 1 0.993 0.020 . 2 . . . . A 5 LEU HD23 . 36788 1 62 . 1 . 1 5 5 LEU HG H 1 1.839 0.020 . 1 . . . . A 5 LEU HG . 36788 1 63 . 1 . 1 5 5 LEU CA C 13 57.689 0.400 . 1 . . . . A 5 LEU CA . 36788 1 64 . 1 . 1 5 5 LEU CB C 13 41.649 0.400 . 1 . . . . A 5 LEU CB . 36788 1 65 . 1 . 1 5 5 LEU CD1 C 13 23.390 0.400 . 2 . . . . A 5 LEU CD1 . 36788 1 66 . 1 . 1 5 5 LEU CD2 C 13 24.896 0.400 . 2 . . . . A 5 LEU CD2 . 36788 1 67 . 1 . 1 5 5 LEU CG C 13 29.077 0.400 . 1 . . . . A 5 LEU CG . 36788 1 68 . 1 . 1 5 5 LEU N N 15 122.090 0.400 . 1 . . . . A 5 LEU N . 36788 1 69 . 1 . 1 6 6 MET H H 1 8.226 0.020 . 1 . . . . A 6 MET H . 36788 1 70 . 1 . 1 6 6 MET HA H 1 4.313 0.020 . 1 . . . . A 6 MET HA . 36788 1 71 . 1 . 1 6 6 MET HB2 H 1 2.794 0.020 . 2 . . . . A 6 MET HB2 . 36788 1 72 . 1 . 1 6 6 MET HB3 H 1 2.596 0.020 . 2 . . . . A 6 MET HB3 . 36788 1 73 . 1 . 1 6 6 MET HG2 H 1 2.285 0.020 . 2 . . . . A 6 MET HG2 . 36788 1 74 . 1 . 1 6 6 MET HG3 H 1 2.353 0.020 . 2 . . . . A 6 MET HG3 . 36788 1 75 . 1 . 1 6 6 MET CA C 13 58.372 0.400 . 1 . . . . A 6 MET CA . 36788 1 76 . 1 . 1 6 6 MET CB C 13 32.393 0.400 . 1 . . . . A 6 MET CB . 36788 1 77 . 1 . 1 6 6 MET CG C 13 36.171 0.400 . 1 . . . . A 6 MET CG . 36788 1 78 . 1 . 1 6 6 MET N N 15 117.851 0.400 . 1 . . . . A 6 MET N . 36788 1 79 . 1 . 1 7 7 LYS H H 1 8.336 0.020 . 1 . . . . A 7 LYS H . 36788 1 80 . 1 . 1 7 7 LYS HA H 1 4.196 0.020 . 1 . . . . A 7 LYS HA . 36788 1 81 . 1 . 1 7 7 LYS HB2 H 1 2.054 0.020 . 2 . . . . A 7 LYS HB2 . 36788 1 82 . 1 . 1 7 7 LYS HB3 H 1 1.995 0.020 . 2 . . . . A 7 LYS HB3 . 36788 1 83 . 1 . 1 7 7 LYS HE2 H 1 3.054 0.020 . 2 . . . . A 7 LYS HE2 . 36788 1 84 . 1 . 1 7 7 LYS HE3 H 1 3.054 0.020 . 2 . . . . A 7 LYS HE3 . 36788 1 85 . 1 . 1 7 7 LYS HG2 H 1 1.548 0.020 . 2 . . . . A 7 LYS HG2 . 36788 1 86 . 1 . 1 7 7 LYS HG3 H 1 1.664 0.020 . 2 . . . . A 7 LYS HG3 . 36788 1 87 . 1 . 1 7 7 LYS CA C 13 58.903 0.400 . 1 . . . . A 7 LYS CA . 36788 1 88 . 1 . 1 7 7 LYS CE C 13 42.039 0.400 . 1 . . . . A 7 LYS CE . 36788 1 89 . 1 . 1 7 7 LYS CG C 13 25.173 0.400 . 1 . . . . A 7 LYS CG . 36788 1 90 . 1 . 1 7 7 LYS N N 15 119.436 0.400 . 1 . . . . A 7 LYS N . 36788 1 91 . 1 . 1 8 8 PHE H H 1 8.103 0.020 . 1 . . . . A 8 PHE H . 36788 1 92 . 1 . 1 8 8 PHE HA H 1 4.452 0.020 . 1 . . . . A 8 PHE HA . 36788 1 93 . 1 . 1 8 8 PHE HB2 H 1 3.426 0.020 . 2 . . . . A 8 PHE HB2 . 36788 1 94 . 1 . 1 8 8 PHE HB3 H 1 3.426 0.020 . 2 . . . . A 8 PHE HB3 . 36788 1 95 . 1 . 1 8 8 PHE HD1 H 1 7.400 0.020 . 1 . . . . A 8 PHE HD1 . 36788 1 96 . 1 . 1 8 8 PHE HD2 H 1 7.400 0.020 . 1 . . . . A 8 PHE HD2 . 36788 1 97 . 1 . 1 8 8 PHE HE1 H 1 7.354 0.020 . 1 . . . . A 8 PHE HE1 . 36788 1 98 . 1 . 1 8 8 PHE HE2 H 1 7.354 0.020 . 1 . . . . A 8 PHE HE2 . 36788 1 99 . 1 . 1 8 8 PHE HZ H 1 7.185 0.020 . 1 . . . . A 8 PHE HZ . 36788 1 100 . 1 . 1 8 8 PHE CA C 13 60.609 0.400 . 1 . . . . A 8 PHE CA . 36788 1 101 . 1 . 1 8 8 PHE CB C 13 39.094 0.400 . 1 . . . . A 8 PHE CB . 36788 1 102 . 1 . 1 8 8 PHE N N 15 120.026 0.400 . 1 . . . . A 8 PHE N . 36788 1 103 . 1 . 1 9 9 ALA H H 1 8.599 0.020 . 1 . . . . A 9 ALA H . 36788 1 104 . 1 . 1 9 9 ALA HA H 1 4.081 0.020 . 1 . . . . A 9 ALA HA . 36788 1 105 . 1 . 1 9 9 ALA HB1 H 1 1.660 0.020 . 1 . . . . A 9 ALA HB1 . 36788 1 106 . 1 . 1 9 9 ALA HB2 H 1 1.660 0.020 . 1 . . . . A 9 ALA HB2 . 36788 1 107 . 1 . 1 9 9 ALA HB3 H 1 1.660 0.020 . 1 . . . . A 9 ALA HB3 . 36788 1 108 . 1 . 1 9 9 ALA CA C 13 54.880 0.400 . 1 . . . . A 9 ALA CA . 36788 1 109 . 1 . 1 9 9 ALA CB C 13 18.302 0.400 . 1 . . . . A 9 ALA CB . 36788 1 110 . 1 . 1 9 9 ALA N N 15 121.647 0.400 . 1 . . . . A 9 ALA N . 36788 1 111 . 1 . 1 10 10 GLY H H 1 8.559 0.020 . 1 . . . . A 10 GLY H . 36788 1 112 . 1 . 1 10 10 GLY HA2 H 1 3.912 0.020 . 2 . . . . A 10 GLY HA2 . 36788 1 113 . 1 . 1 10 10 GLY HA3 H 1 4.071 0.020 . 2 . . . . A 10 GLY HA3 . 36788 1 114 . 1 . 1 10 10 GLY CA C 13 46.722 0.400 . 1 . . . . A 10 GLY CA . 36788 1 115 . 1 . 1 10 10 GLY N N 15 104.324 0.400 . 1 . . . . A 10 GLY N . 36788 1 116 . 1 . 1 11 11 LYS H H 1 7.768 0.020 . 1 . . . . A 11 LYS H . 36788 1 117 . 1 . 1 11 11 LYS HA H 1 4.250 0.020 . 1 . . . . A 11 LYS HA . 36788 1 118 . 1 . 1 11 11 LYS HB2 H 1 1.852 0.020 . 2 . . . . A 11 LYS HB2 . 36788 1 119 . 1 . 1 11 11 LYS HB3 H 1 1.717 0.020 . 2 . . . . A 11 LYS HB3 . 36788 1 120 . 1 . 1 11 11 LYS HE2 H 1 3.020 0.020 . 2 . . . . A 11 LYS HE2 . 36788 1 121 . 1 . 1 11 11 LYS HE3 H 1 3.020 0.020 . 2 . . . . A 11 LYS HE3 . 36788 1 122 . 1 . 1 11 11 LYS HG2 H 1 1.381 0.020 . 2 . . . . A 11 LYS HG2 . 36788 1 123 . 1 . 1 11 11 LYS HG3 H 1 1.407 0.020 . 2 . . . . A 11 LYS HG3 . 36788 1 124 . 1 . 1 11 11 LYS CA C 13 57.309 0.400 . 1 . . . . A 11 LYS CA . 36788 1 125 . 1 . 1 11 11 LYS CE C 13 42.039 0.400 . 1 . . . . A 11 LYS CE . 36788 1 126 . 1 . 1 11 11 LYS CG C 13 24.947 0.400 . 1 . . . . A 11 LYS CG . 36788 1 127 . 1 . 1 11 11 LYS N N 15 118.846 0.400 . 1 . . . . A 11 LYS N . 36788 1 128 . 1 . 1 12 12 HIS H H 1 7.799 0.020 . 1 . . . . A 12 HIS H . 36788 1 129 . 1 . 1 12 12 HIS HA H 1 4.691 0.020 . 1 . . . . A 12 HIS HA . 36788 1 130 . 1 . 1 12 12 HIS HB2 H 1 2.828 0.020 . 2 . . . . A 12 HIS HB2 . 36788 1 131 . 1 . 1 12 12 HIS HB3 H 1 3.396 0.020 . 2 . . . . A 12 HIS HB3 . 36788 1 132 . 1 . 1 12 12 HIS HD2 H 1 6.952 0.020 . 1 . . . . A 12 HIS HD2 . 36788 1 133 . 1 . 1 12 12 HIS HE1 H 1 8.665 0.020 . 1 . . . . A 12 HIS HE1 . 36788 1 134 . 1 . 1 12 12 HIS CB C 13 29.083 0.400 . 1 . . . . A 12 HIS CB . 36788 1 135 . 1 . 1 12 12 HIS N N 15 114.294 0.400 . 1 . . . . A 12 HIS N . 36788 1 136 . 1 . 1 13 13 LEU H H 1 7.946 0.020 . 1 . . . . A 13 LEU H . 36788 1 137 . 1 . 1 13 13 LEU HA H 1 4.538 0.020 . 1 . . . . A 13 LEU HA . 36788 1 138 . 1 . 1 13 13 LEU HB2 H 1 1.868 0.020 . 2 . . . . A 13 LEU HB2 . 36788 1 139 . 1 . 1 13 13 LEU HB3 H 1 1.868 0.020 . 2 . . . . A 13 LEU HB3 . 36788 1 140 . 1 . 1 13 13 LEU HD11 H 1 0.975 0.020 . 2 . . . . A 13 LEU HD11 . 36788 1 141 . 1 . 1 13 13 LEU HD12 H 1 0.975 0.020 . 2 . . . . A 13 LEU HD12 . 36788 1 142 . 1 . 1 13 13 LEU HD13 H 1 0.975 0.020 . 2 . . . . A 13 LEU HD13 . 36788 1 143 . 1 . 1 13 13 LEU HD21 H 1 1.040 0.020 . 2 . . . . A 13 LEU HD21 . 36788 1 144 . 1 . 1 13 13 LEU HD22 H 1 1.040 0.020 . 2 . . . . A 13 LEU HD22 . 36788 1 145 . 1 . 1 13 13 LEU HD23 H 1 1.040 0.020 . 2 . . . . A 13 LEU HD23 . 36788 1 146 . 1 . 1 13 13 LEU HG H 1 1.731 0.020 . 1 . . . . A 13 LEU HG . 36788 1 147 . 1 . 1 13 13 LEU CA C 13 54.607 0.400 . 1 . . . . A 13 LEU CA . 36788 1 148 . 1 . 1 13 13 LEU CB C 13 42.685 0.400 . 1 . . . . A 13 LEU CB . 36788 1 149 . 1 . 1 13 13 LEU CD1 C 13 24.828 0.400 . 2 . . . . A 13 LEU CD1 . 36788 1 150 . 1 . 1 13 13 LEU CD2 C 13 25.543 0.400 . 2 . . . . A 13 LEU CD2 . 36788 1 151 . 1 . 1 13 13 LEU CG C 13 27.254 0.400 . 1 . . . . A 13 LEU CG . 36788 1 152 . 1 . 1 13 13 LEU N N 15 120.431 0.400 . 1 . . . . A 13 LEU N . 36788 1 153 . 1 . 1 14 14 NH2 HN1 H 1 7.026 0.020 . 1 . . . . A 14 NH2 HN1 . 36788 1 154 . 1 . 1 14 14 NH2 HN2 H 1 7.236 0.020 . 1 . . . . A 14 NH2 HN2 . 36788 1 stop_ save_