################################### # 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 10021 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.9 _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 '13C-13C RFDR' 1 $sample_1 isotropic 10021 1 2 '13C-13C SPC5' 1 $sample_1 isotropic 10021 1 3 15N-13CaCb 1 $sample_1 isotropic 10021 1 4 15N-13C'CaCb 1 $sample_1 isotropic 10021 1 5 15N-13C'-13CaCb 1 $sample_1 isotropic 10021 1 6 13CaCb-13C'CaCb 1 $sample_1 isotropic 10021 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 4 4 LEU C C 13 178.5 0.4 . 1 . . . . 4 LEU C . 10021 1 2 . 1 1 4 4 LEU CA C 13 58.0 0.4 . 1 . . . . 4 LEU CA . 10021 1 3 . 1 1 4 4 LEU CB C 13 42.1 0.4 . 1 . . . . 4 LEU CB . 10021 1 4 . 1 1 4 4 LEU CG C 13 27.4 0.4 . 1 . . . . 4 LEU CG . 10021 1 5 . 1 1 4 4 LEU CD1 C 13 23.9 0.4 . 1 . . . . 4 LEU CD1 . 10021 1 6 . 1 1 4 4 LEU N N 15 120 0.9 . 1 . . . . 4 LEU N . 10021 1 7 . 1 1 8 8 LEU C C 13 178.5 0.4 . 1 . . . . 8 LEU C . 10021 1 8 . 1 1 8 8 LEU CA C 13 58.0 0.4 . 1 . . . . 8 LEU CA . 10021 1 9 . 1 1 8 8 LEU CB C 13 42.1 0.4 . 1 . . . . 8 LEU CB . 10021 1 10 . 1 1 8 8 LEU CG C 13 27.4 0.4 . 1 . . . . 8 LEU CG . 10021 1 11 . 1 1 8 8 LEU CD1 C 13 23.9 0.4 . 1 . . . . 8 LEU CD1 . 10021 1 12 . 1 1 8 8 LEU N N 15 120 0.9 . 1 . . . . 8 LEU N . 10021 1 13 . 1 1 9 9 LEU C C 13 178.5 0.4 . 1 . . . . 9 LEU C . 10021 1 14 . 1 1 9 9 LEU CA C 13 58.0 0.4 . 1 . . . . 9 LEU CA . 10021 1 15 . 1 1 9 9 LEU CB C 13 42.1 0.4 . 1 . . . . 9 LEU CB . 10021 1 16 . 1 1 9 9 LEU CG C 13 27.4 0.4 . 1 . . . . 9 LEU CG . 10021 1 17 . 1 1 9 9 LEU CD1 C 13 23.9 0.4 . 1 . . . . 9 LEU CD1 . 10021 1 18 . 1 1 9 9 LEU N N 15 120 0.9 . 1 . . . . 9 LEU N . 10021 1 19 . 1 1 10 10 TYR CB C 13 37.8 0.4 . 1 . . . . 10 TYR CB . 10021 1 20 . 1 1 10 10 TYR CG C 13 130.7 0.4 . 1 . . . . 10 TYR CG . 10021 1 21 . 1 1 10 10 TYR CD1 C 13 132.6 0.4 . 1 . . . . 10 TYR CD1 . 10021 1 22 . 1 1 10 10 TYR CD2 C 13 132.6 0.4 . 1 . . . . 10 TYR CD2 . 10021 1 23 . 1 1 10 10 TYR CE1 C 13 117.9 0.4 . 1 . . . . 10 TYR CE1 . 10021 1 24 . 1 1 10 10 TYR CE2 C 13 117.9 0.4 . 1 . . . . 10 TYR CE2 . 10021 1 25 . 1 1 11 11 MET C C 13 178.5 0.4 . 1 . . . . 11 MET C . 10021 1 26 . 1 1 11 11 MET CA C 13 57.8 0.4 . 1 . . . . 11 MET CA . 10021 1 27 . 1 1 11 11 MET CB C 13 33.6 0.4 . 1 . . . . 11 MET CB . 10021 1 28 . 1 1 12 12 ALA C C 13 179.3 0.4 . 1 . . . . 12 ALA C . 10021 1 29 . 1 1 12 12 ALA CA C 13 55.0 0.4 . 1 . . . . 12 ALA CA . 10021 1 30 . 1 1 12 12 ALA CB C 13 18.1 0.4 . 1 . . . . 12 ALA CB . 10021 1 31 . 1 1 12 12 ALA N N 15 120 0.9 . 1 . . . . 12 ALA N . 10021 1 32 . 1 1 13 13 ALA C C 13 179.3 0.4 . 1 . . . . 13 ALA C . 10021 1 33 . 1 1 13 13 ALA CA C 13 55.0 0.4 . 1 . . . . 13 ALA CA . 10021 1 34 . 1 1 13 13 ALA CB C 13 18.1 0.4 . 1 . . . . 13 ALA CB . 10021 1 35 . 1 1 13 13 ALA N N 15 120 0.9 . 1 . . . . 13 ALA N . 10021 1 36 . 1 1 14 14 ALA C C 13 179.3 0.4 . 1 . . . . 14 ALA C . 10021 1 37 . 1 1 14 14 ALA CA C 13 55.4 0.4 . 1 . . . . 14 ALA CA . 10021 1 38 . 1 1 14 14 ALA CB C 13 18.1 0.4 . 1 . . . . 14 ALA CB . 10021 1 39 . 1 1 14 14 ALA N N 15 120 0.9 . 1 . . . . 14 ALA N . 10021 1 40 . 1 1 15 15 VAL C C 13 178.1 0.4 . 1 . . . . 15 VAL C . 10021 1 41 . 1 1 15 15 VAL CA C 13 65.5 0.4 . 1 . . . . 15 VAL CA . 10021 1 42 . 1 1 15 15 VAL CB C 13 31.6 0.4 . 1 . . . . 15 VAL CB . 10021 1 43 . 1 1 15 15 VAL CG1 C 13 21.9 0.4 . 1 . . . . 15 VAL CG1 . 10021 1 44 . 1 1 15 15 VAL N N 15 117 0.9 . 1 . . . . 15 VAL N . 10021 1 45 . 1 1 16 16 MET C C 13 178.5 0.4 . 1 . . . . 16 MET C . 10021 1 46 . 1 1 16 16 MET CA C 13 60.1 0.4 . 1 . . . . 16 MET CA . 10021 1 47 . 1 1 16 16 MET CB C 13 33.6 0.4 . 1 . . . . 16 MET CB . 10021 1 48 . 1 1 17 17 MET CA C 13 53.5 0.4 . 1 . . . . 17 MET CA . 10021 1 49 . 1 1 18 18 GLY C C 13 171.5 0.4 . 1 . . . . 18 GLY C . 10021 1 50 . 1 1 18 18 GLY CA C 13 44.2 0.4 . 1 . . . . 18 GLY CA . 10021 1 51 . 1 1 18 18 GLY N N 15 112 0.9 . 1 . . . . 18 GLY N . 10021 1 52 . 1 1 19 19 LEU CA C 13 53.5 0.4 . 1 . . . . 19 LEU CA . 10021 1 53 . 1 1 19 19 LEU CB C 13 46.4 0.4 . 1 . . . . 19 LEU CB . 10021 1 54 . 1 1 19 19 LEU CG C 13 28.1 0.4 . 1 . . . . 19 LEU CG . 10021 1 55 . 1 1 20 20 ALA C C 13 179.3 0.4 . 1 . . . . 20 ALA C . 10021 1 56 . 1 1 20 20 ALA CA C 13 55.0 0.4 . 1 . . . . 20 ALA CA . 10021 1 57 . 1 1 20 20 ALA CB C 13 18.1 0.4 . 1 . . . . 20 ALA CB . 10021 1 58 . 1 1 20 20 ALA N N 15 120 0.9 . 1 . . . . 20 ALA N . 10021 1 59 . 1 1 21 21 ALA C C 13 179.3 0.4 . 1 . . . . 21 ALA C . 10021 1 60 . 1 1 21 21 ALA CA C 13 55.3 0.4 . 1 . . . . 21 ALA CA . 10021 1 61 . 1 1 21 21 ALA CB C 13 18.1 0.4 . 1 . . . . 21 ALA CB . 10021 1 62 . 1 1 21 21 ALA N N 15 120 0.9 . 1 . . . . 21 ALA N . 10021 1 63 . 1 1 22 22 ILE C C 13 178.1 0.4 . 1 . . . . 22 ILE C . 10021 1 64 . 1 1 22 22 ILE CA C 13 65.5 0.4 . 1 . . . . 22 ILE CA . 10021 1 65 . 1 1 22 22 ILE CB C 13 38.2 0.4 . 1 . . . . 22 ILE CB . 10021 1 66 . 1 1 22 22 ILE CG1 C 13 29.7 0.4 . 1 . . . . 22 ILE CG1 . 10021 1 67 . 1 1 22 22 ILE CG2 C 13 17.6 0.4 . 1 . . . . 22 ILE CG2 . 10021 1 68 . 1 1 22 22 ILE CD1 C 13 14.1 0.4 . 1 . . . . 22 ILE CD1 . 10021 1 69 . 1 1 22 22 ILE N N 15 117 0.9 . 1 . . . . 22 ILE N . 10021 1 70 . 1 1 23 23 GLY C C 13 175.4 0.4 . 1 . . . . 23 GLY C . 10021 1 71 . 1 1 23 23 GLY CA C 13 47.7 0.4 . 1 . . . . 23 GLY CA . 10021 1 72 . 1 1 23 23 GLY N N 15 107 0.9 . 1 . . . . 23 GLY N . 10021 1 73 . 1 1 24 24 ALA C C 13 179.3 0.4 . 1 . . . . 24 ALA C . 10021 1 74 . 1 1 24 24 ALA CA C 13 55.0 0.4 . 1 . . . . 24 ALA CA . 10021 1 75 . 1 1 24 24 ALA CB C 13 18.1 0.4 . 1 . . . . 24 ALA CB . 10021 1 76 . 1 1 24 24 ALA N N 15 120 0.9 . 1 . . . . 24 ALA N . 10021 1 77 . 1 1 25 25 ALA C C 13 179.3 0.4 . 1 . . . . 25 ALA C . 10021 1 78 . 1 1 25 25 ALA CA C 13 55.3 0.4 . 1 . . . . 25 ALA CA . 10021 1 79 . 1 1 25 25 ALA CB C 13 18.1 0.4 . 1 . . . . 25 ALA CB . 10021 1 80 . 1 1 25 25 ALA N N 15 120 0.9 . 1 . . . . 25 ALA N . 10021 1 81 . 1 1 26 26 ILE C C 13 178.1 0.4 . 1 . . . . 26 ILE C . 10021 1 82 . 1 1 26 26 ILE CA C 13 65.5 0.4 . 1 . . . . 26 ILE CA . 10021 1 83 . 1 1 26 26 ILE CB C 13 38.2 0.4 . 1 . . . . 26 ILE CB . 10021 1 84 . 1 1 26 26 ILE CG1 C 13 29.7 0.4 . 1 . . . . 26 ILE CG1 . 10021 1 85 . 1 1 26 26 ILE CG2 C 13 17.6 0.4 . 1 . . . . 26 ILE CG2 . 10021 1 86 . 1 1 26 26 ILE CD1 C 13 14.1 0.4 . 1 . . . . 26 ILE CD1 . 10021 1 87 . 1 1 26 26 ILE N N 15 117 0.9 . 1 . . . . 26 ILE N . 10021 1 88 . 1 1 27 27 GLY C C 13 175.4 0.4 . 1 . . . . 27 GLY C . 10021 1 89 . 1 1 27 27 GLY CA C 13 48.0 0.4 . 1 . . . . 27 GLY CA . 10021 1 90 . 1 1 27 27 GLY N N 15 107 0.9 . 1 . . . . 27 GLY N . 10021 1 91 . 1 1 28 28 ILE C C 13 178.1 0.4 . 1 . . . . 28 ILE C . 10021 1 92 . 1 1 28 28 ILE CA C 13 65.5 0.4 . 1 . . . . 28 ILE CA . 10021 1 93 . 1 1 28 28 ILE CB C 13 38.2 0.4 . 1 . . . . 28 ILE CB . 10021 1 94 . 1 1 28 28 ILE CG1 C 13 29.7 0.4 . 1 . . . . 28 ILE CG1 . 10021 1 95 . 1 1 28 28 ILE CG2 C 13 17.6 0.4 . 1 . . . . 28 ILE CG2 . 10021 1 96 . 1 1 28 28 ILE CD1 C 13 14.1 0.4 . 1 . . . . 28 ILE CD1 . 10021 1 97 . 1 1 28 28 ILE N N 15 117 0.9 . 1 . . . . 28 ILE N . 10021 1 98 . 1 1 29 29 GLY C C 13 175.4 0.4 . 1 . . . . 29 GLY C . 10021 1 99 . 1 1 29 29 GLY CA C 13 48.0 0.4 . 1 . . . . 29 GLY CA . 10021 1 100 . 1 1 29 29 GLY N N 15 107 0.9 . 1 . . . . 29 GLY N . 10021 1 101 . 1 1 30 30 ILE C C 13 178.1 0.4 . 1 . . . . 30 ILE C . 10021 1 102 . 1 1 30 30 ILE CA C 13 65.5 0.4 . 1 . . . . 30 ILE CA . 10021 1 103 . 1 1 30 30 ILE CB C 13 38.2 0.4 . 1 . . . . 30 ILE CB . 10021 1 104 . 1 1 30 30 ILE CG1 C 13 29.7 0.4 . 1 . . . . 30 ILE CG1 . 10021 1 105 . 1 1 30 30 ILE CG2 C 13 17.6 0.4 . 1 . . . . 30 ILE CG2 . 10021 1 106 . 1 1 30 30 ILE CD1 C 13 14.1 0.4 . 1 . . . . 30 ILE CD1 . 10021 1 107 . 1 1 30 30 ILE N N 15 117 0.9 . 1 . . . . 30 ILE N . 10021 1 108 . 1 1 31 31 LEU C C 13 178.5 0.4 . 1 . . . . 31 LEU C . 10021 1 109 . 1 1 31 31 LEU CA C 13 57.8 0.4 . 1 . . . . 31 LEU CA . 10021 1 110 . 1 1 31 31 LEU CB C 13 42.1 0.4 . 1 . . . . 31 LEU CB . 10021 1 111 . 1 1 31 31 LEU CG C 13 27.4 0.4 . 1 . . . . 31 LEU CG . 10021 1 112 . 1 1 31 31 LEU CD1 C 13 23.9 0.4 . 1 . . . . 31 LEU CD1 . 10021 1 113 . 1 1 31 31 LEU N N 15 120 0.9 . 1 . . . . 31 LEU N . 10021 1 114 . 1 1 32 32 GLY C C 13 175.4 0.4 . 1 . . . . 32 GLY C . 10021 1 115 . 1 1 32 32 GLY CA C 13 47.7 0.4 . 1 . . . . 32 GLY CA . 10021 1 116 . 1 1 32 32 GLY N N 15 107 0.9 . 1 . . . . 32 GLY N . 10021 1 117 . 1 1 33 33 GLY C C 13 175.4 0.4 . 1 . . . . 33 GLY C . 10021 1 118 . 1 1 33 33 GLY CA C 13 47.3 0.4 . 1 . . . . 33 GLY CA . 10021 1 119 . 1 1 33 33 GLY N N 15 107 0.9 . 1 . . . . 33 GLY N . 10021 1 120 . 1 1 34 34 LYS CA C 13 57.8 0.4 . 1 . . . . 34 LYS CA . 10021 1 121 . 1 1 34 34 LYS CE C 13 42.2 0.4 . 1 . . . . 34 LYS CE . 10021 1 122 . 1 1 34 34 LYS NZ N 15 32.8 0.9 . 1 . . . . 34 LYS NZ . 10021 1 123 . 1 1 35 35 PHE CB C 13 39.3 0.4 . 1 . . . . 35 PHE CB . 10021 1 124 . 1 1 35 35 PHE CG C 13 139.9 0.4 . 1 . . . . 35 PHE CG . 10021 1 125 . 1 1 35 35 PHE CD1 C 13 131.5 0.4 . 1 . . . . 35 PHE CD1 . 10021 1 126 . 1 1 35 35 PHE CD2 C 13 131.5 0.4 . 1 . . . . 35 PHE CD2 . 10021 1 127 . 1 1 36 36 LEU C C 13 178.5 0.4 . 1 . . . . 36 LEU C . 10021 1 128 . 1 1 36 36 LEU CA C 13 58.0 0.4 . 1 . . . . 36 LEU CA . 10021 1 129 . 1 1 36 36 LEU CB C 13 42.1 0.4 . 1 . . . . 36 LEU CB . 10021 1 130 . 1 1 36 36 LEU CG C 13 27.4 0.4 . 1 . . . . 36 LEU CG . 10021 1 131 . 1 1 36 36 LEU CD1 C 13 23.9 0.4 . 1 . . . . 36 LEU CD1 . 10021 1 132 . 1 1 36 36 LEU N N 15 120 0.9 . 1 . . . . 36 LEU N . 10021 1 133 . 1 1 37 37 GLU C C 13 178.1 0.4 . 1 . . . . 37 GLU C . 10021 1 134 . 1 1 37 37 GLU CA C 13 59.3 0.4 . 1 . . . . 37 GLU CA . 10021 1 135 . 1 1 37 37 GLU CB C 13 26.8 0.4 . 1 . . . . 37 GLU CB . 10021 1 136 . 1 1 38 38 GLY C C 13 175.4 0.4 . 1 . . . . 38 GLY C . 10021 1 137 . 1 1 38 38 GLY CA C 13 47.7 0.4 . 1 . . . . 38 GLY CA . 10021 1 138 . 1 1 38 38 GLY N N 15 107 0.9 . 1 . . . . 38 GLY N . 10021 1 139 . 1 1 39 39 ALA C C 13 179.3 0.4 . 1 . . . . 39 ALA C . 10021 1 140 . 1 1 39 39 ALA CA C 13 55.0 0.4 . 1 . . . . 39 ALA CA . 10021 1 141 . 1 1 39 39 ALA CB C 13 18.1 0.4 . 1 . . . . 39 ALA CB . 10021 1 142 . 1 1 39 39 ALA N N 15 120 0.9 . 1 . . . . 39 ALA N . 10021 1 143 . 1 1 40 40 ALA C C 13 179.3 0.4 . 1 . . . . 40 ALA C . 10021 1 144 . 1 1 40 40 ALA CA C 13 55.0 0.4 . 1 . . . . 40 ALA CA . 10021 1 145 . 1 1 40 40 ALA CB C 13 18.1 0.4 . 1 . . . . 40 ALA CB . 10021 1 146 . 1 1 40 40 ALA N N 15 120 0.9 . 1 . . . . 40 ALA N . 10021 1 147 . 1 1 41 41 ARG CG C 13 27.1 0.4 . 1 . . . . 41 ARG CG . 10021 1 148 . 1 1 41 41 ARG CD C 13 43.8 0.4 . 1 . . . . 41 ARG CD . 10021 1 149 . 1 1 41 41 ARG CZ C 13 159.6 0.4 . 1 . . . . 41 ARG CZ . 10021 1 150 . 1 1 41 41 ARG NE N 15 83.7 0.9 . 1 . . . . 41 ARG NE . 10021 1 151 . 1 1 41 41 ARG NH1 N 15 71.1 0.9 . 2 . . . . 41 ARG NH1 . 10021 1 152 . 1 1 41 41 ARG NH2 N 15 74.2 0.9 . 2 . . . . 41 ARG NH2 . 10021 1 153 . 1 1 42 42 GLN CA C 13 55.0 0.4 . 1 . . . . 42 GLN CA . 10021 1 154 . 1 1 43 43 PRO CA C 13 62.5 0.4 . 1 . . . . 43 PRO CA . 10021 1 155 . 1 1 43 43 PRO CD C 13 50.1 0.4 . 1 . . . . 43 PRO CD . 10021 1 156 . 1 1 43 43 PRO N N 15 137 0.9 . 1 . . . . 43 PRO N . 10021 1 157 . 1 1 45 45 LEU CA C 13 54.2 0.4 . 1 . . . . 45 LEU CA . 10021 1 158 . 1 1 45 45 LEU CB C 13 46.4 0.4 . 1 . . . . 45 LEU CB . 10021 1 159 . 1 1 45 45 LEU CG C 13 28.1 0.4 . 1 . . . . 45 LEU CG . 10021 1 160 . 1 1 46 46 ILE C C 13 178.1 0.4 . 1 . . . . 46 ILE C . 10021 1 161 . 1 1 46 46 ILE CA C 13 65.5 0.4 . 1 . . . . 46 ILE CA . 10021 1 162 . 1 1 46 46 ILE CB C 13 38.2 0.4 . 1 . . . . 46 ILE CB . 10021 1 163 . 1 1 46 46 ILE CG1 C 13 29.7 0.4 . 1 . . . . 46 ILE CG1 . 10021 1 164 . 1 1 46 46 ILE CG2 C 13 17.6 0.4 . 1 . . . . 46 ILE CG2 . 10021 1 165 . 1 1 46 46 ILE CD1 C 13 14.1 0.4 . 1 . . . . 46 ILE CD1 . 10021 1 166 . 1 1 47 47 PRO CA C 13 65.2 0.4 . 1 . . . . 47 PRO CA . 10021 1 167 . 1 1 47 47 PRO CD C 13 49.3 0.4 . 1 . . . . 47 PRO CD . 10021 1 168 . 1 1 47 47 PRO N N 15 133 0.9 . 1 . . . . 47 PRO N . 10021 1 169 . 1 1 48 48 LEU C C 13 178.5 0.4 . 1 . . . . 48 LEU C . 10021 1 170 . 1 1 48 48 LEU CA C 13 58.0 0.4 . 1 . . . . 48 LEU CA . 10021 1 171 . 1 1 48 48 LEU CB C 13 42.1 0.4 . 1 . . . . 48 LEU CB . 10021 1 172 . 1 1 48 48 LEU CG C 13 27.4 0.4 . 1 . . . . 48 LEU CG . 10021 1 173 . 1 1 48 48 LEU CD1 C 13 23.9 0.4 . 1 . . . . 48 LEU CD1 . 10021 1 174 . 1 1 48 48 LEU N N 15 120 0.9 . 1 . . . . 48 LEU N . 10021 1 175 . 1 1 49 49 LEU C C 13 178.5 0.4 . 1 . . . . 49 LEU C . 10021 1 176 . 1 1 49 49 LEU CA C 13 58.0 0.4 . 1 . . . . 49 LEU CA . 10021 1 177 . 1 1 49 49 LEU CB C 13 42.1 0.4 . 1 . . . . 49 LEU CB . 10021 1 178 . 1 1 49 49 LEU CG C 13 27.4 0.4 . 1 . . . . 49 LEU CG . 10021 1 179 . 1 1 49 49 LEU CD1 C 13 23.9 0.4 . 1 . . . . 49 LEU CD1 . 10021 1 180 . 1 1 49 49 LEU N N 15 120 0.9 . 1 . . . . 49 LEU N . 10021 1 181 . 1 1 50 50 ARG CG C 13 27.1 0.4 . 1 . . . . 50 ARG CG . 10021 1 182 . 1 1 50 50 ARG CD C 13 43.8 0.4 . 1 . . . . 50 ARG CD . 10021 1 183 . 1 1 50 50 ARG CZ C 13 159.6 0.4 . 1 . . . . 50 ARG CZ . 10021 1 184 . 1 1 50 50 ARG NE N 15 83.7 0.9 . 1 . . . . 50 ARG NE . 10021 1 185 . 1 1 50 50 ARG NH1 N 15 71.1 0.9 . 2 . . . . 50 ARG NH1 . 10021 1 186 . 1 1 50 50 ARG NH2 N 15 74.2 0.9 . 2 . . . . 50 ARG NH2 . 10021 1 187 . 1 1 51 51 THR CB C 13 71.3 0.4 . 1 . . . . 51 THR CB . 10021 1 188 . 1 1 51 51 THR CG2 C 13 22.3 0.4 . 1 . . . . 51 THR CG2 . 10021 1 189 . 1 1 53 53 PHE CB C 13 39.3 0.4 . 1 . . . . 53 PHE CB . 10021 1 190 . 1 1 53 53 PHE CG C 13 139.9 0.4 . 1 . . . . 53 PHE CG . 10021 1 191 . 1 1 53 53 PHE CD1 C 13 131.5 0.4 . 1 . . . . 53 PHE CD1 . 10021 1 192 . 1 1 53 53 PHE CD2 C 13 131.5 0.4 . 1 . . . . 53 PHE CD2 . 10021 1 193 . 1 1 54 54 PHE CB C 13 39.3 0.4 . 1 . . . . 54 PHE CB . 10021 1 194 . 1 1 54 54 PHE CG C 13 139.9 0.4 . 1 . . . . 54 PHE CG . 10021 1 195 . 1 1 54 54 PHE CD1 C 13 131.5 0.4 . 1 . . . . 54 PHE CD1 . 10021 1 196 . 1 1 54 54 PHE CD2 C 13 131.5 0.4 . 1 . . . . 54 PHE CD2 . 10021 1 197 . 1 1 55 55 ILE C C 13 178.1 0.4 . 1 . . . . 55 ILE C . 10021 1 198 . 1 1 55 55 ILE CA C 13 65.5 0.4 . 1 . . . . 55 ILE CA . 10021 1 199 . 1 1 55 55 ILE CB C 13 38.2 0.4 . 1 . . . . 55 ILE CB . 10021 1 200 . 1 1 55 55 ILE CG1 C 13 29.7 0.4 . 1 . . . . 55 ILE CG1 . 10021 1 201 . 1 1 55 55 ILE CG2 C 13 17.6 0.4 . 1 . . . . 55 ILE CG2 . 10021 1 202 . 1 1 55 55 ILE CD1 C 13 14.1 0.4 . 1 . . . . 55 ILE CD1 . 10021 1 203 . 1 1 55 55 ILE N N 15 117 0.9 . 1 . . . . 55 ILE N . 10021 1 204 . 1 1 56 56 VAL C C 13 178.1 0.4 . 1 . . . . 56 VAL C . 10021 1 205 . 1 1 56 56 VAL CA C 13 66.6 0.4 . 1 . . . . 56 VAL CA . 10021 1 206 . 1 1 56 56 VAL CB C 13 31.6 0.4 . 1 . . . . 56 VAL CB . 10021 1 207 . 1 1 56 56 VAL CG1 C 13 21.9 0.4 . 1 . . . . 56 VAL CG1 . 10021 1 208 . 1 1 56 56 VAL N N 15 117 0.9 . 1 . . . . 56 VAL N . 10021 1 209 . 1 1 57 57 MET C C 13 178.5 0.4 . 1 . . . . 57 MET C . 10021 1 210 . 1 1 57 57 MET CA C 13 60.1 0.4 . 1 . . . . 57 MET CA . 10021 1 211 . 1 1 57 57 MET CB C 13 33.6 0.4 . 1 . . . . 57 MET CB . 10021 1 212 . 1 1 58 58 GLY C C 13 175.4 0.4 . 1 . . . . 58 GLY C . 10021 1 213 . 1 1 58 58 GLY CA C 13 47.7 0.4 . 1 . . . . 58 GLY CA . 10021 1 214 . 1 1 58 58 GLY N N 15 107 0.9 . 1 . . . . 58 GLY N . 10021 1 215 . 1 1 59 59 LEU C C 13 178.5 0.4 . 1 . . . . 59 LEU C . 10021 1 216 . 1 1 59 59 LEU CA C 13 57.8 0.4 . 1 . . . . 59 LEU CA . 10021 1 217 . 1 1 59 59 LEU CB C 13 42.1 0.4 . 1 . . . . 59 LEU CB . 10021 1 218 . 1 1 59 59 LEU CG C 13 27.4 0.4 . 1 . . . . 59 LEU CG . 10021 1 219 . 1 1 59 59 LEU CD1 C 13 23.9 0.4 . 1 . . . . 59 LEU CD1 . 10021 1 220 . 1 1 59 59 LEU N N 15 120 0.9 . 1 . . . . 59 LEU N . 10021 1 221 . 1 1 60 60 VAL C C 13 178.1 0.4 . 1 . . . . 60 VAL C . 10021 1 222 . 1 1 60 60 VAL CA C 13 66.6 0.4 . 1 . . . . 60 VAL CA . 10021 1 223 . 1 1 60 60 VAL CB C 13 31.6 0.4 . 1 . . . . 60 VAL CB . 10021 1 224 . 1 1 60 60 VAL CG1 C 13 21.9 0.4 . 1 . . . . 60 VAL CG1 . 10021 1 225 . 1 1 60 60 VAL N N 15 117 0.9 . 1 . . . . 60 VAL N . 10021 1 226 . 1 1 61 61 ASP CA C 13 57.8 0.4 . 1 . . . . 61 ASP CA . 10021 1 227 . 1 1 62 62 ALA C C 13 179.3 0.4 . 1 . . . . 62 ALA C . 10021 1 228 . 1 1 62 62 ALA CA C 13 55.4 0.4 . 1 . . . . 62 ALA CA . 10021 1 229 . 1 1 62 62 ALA CB C 13 18.1 0.4 . 1 . . . . 62 ALA CB . 10021 1 230 . 1 1 62 62 ALA N N 15 120 0.9 . 1 . . . . 62 ALA N . 10021 1 231 . 1 1 63 63 ILE C C 13 178.5 0.4 . 1 . . . . 63 ILE C . 10021 1 232 . 1 1 63 63 ILE CA C 13 65.9 0.4 . 1 . . . . 63 ILE CA . 10021 1 233 . 1 1 63 63 ILE CB C 13 38.2 0.4 . 1 . . . . 63 ILE CB . 10021 1 234 . 1 1 63 63 ILE CG1 C 13 29.7 0.4 . 1 . . . . 63 ILE CG1 . 10021 1 235 . 1 1 63 63 ILE CG2 C 13 17.6 0.4 . 1 . . . . 63 ILE CG2 . 10021 1 236 . 1 1 63 63 ILE CD1 C 13 14.1 0.4 . 1 . . . . 63 ILE CD1 . 10021 1 237 . 1 1 63 63 ILE N N 15 117 0.9 . 1 . . . . 63 ILE N . 10021 1 238 . 1 1 64 64 PRO CA C 13 65.2 0.4 . 1 . . . . 64 PRO CA . 10021 1 239 . 1 1 64 64 PRO CD C 13 49.3 0.4 . 1 . . . . 64 PRO CD . 10021 1 240 . 1 1 64 64 PRO N N 15 133 0.9 . 1 . . . . 64 PRO N . 10021 1 241 . 1 1 65 65 MET C C 13 178.5 0.4 . 1 . . . . 65 MET C . 10021 1 242 . 1 1 65 65 MET CA C 13 58.5 0.4 . 1 . . . . 65 MET CA . 10021 1 243 . 1 1 66 66 ILE C C 13 178.5 0.4 . 1 . . . . 66 ILE C . 10021 1 244 . 1 1 66 66 ILE CA C 13 64.7 0.4 . 1 . . . . 66 ILE CA . 10021 1 245 . 1 1 66 66 ILE CB C 13 38.3 0.4 . 1 . . . . 66 ILE CB . 10021 1 246 . 1 1 66 66 ILE CG1 C 13 29.7 0.4 . 1 . . . . 66 ILE CG1 . 10021 1 247 . 1 1 66 66 ILE CG2 C 13 17.6 0.4 . 1 . . . . 66 ILE CG2 . 10021 1 248 . 1 1 66 66 ILE CD1 C 13 14.1 0.4 . 1 . . . . 66 ILE CD1 . 10021 1 249 . 1 1 66 66 ILE N N 15 117 0.9 . 1 . . . . 66 ILE N . 10021 1 250 . 1 1 67 67 ALA C C 13 179.3 0.4 . 1 . . . . 67 ALA C . 10021 1 251 . 1 1 67 67 ALA CA C 13 55.4 0.4 . 1 . . . . 67 ALA CA . 10021 1 252 . 1 1 67 67 ALA CB C 13 18.1 0.4 . 1 . . . . 67 ALA CB . 10021 1 253 . 1 1 67 67 ALA N N 15 120 0.9 . 1 . . . . 67 ALA N . 10021 1 254 . 1 1 68 68 VAL C C 13 178.1 0.4 . 1 . . . . 68 VAL C . 10021 1 255 . 1 1 68 68 VAL CA C 13 65.5 0.4 . 1 . . . . 68 VAL CA . 10021 1 256 . 1 1 68 68 VAL CB C 13 31.6 0.4 . 1 . . . . 68 VAL CB . 10021 1 257 . 1 1 68 68 VAL CG1 C 13 21.9 0.4 . 1 . . . . 68 VAL CG1 . 10021 1 258 . 1 1 68 68 VAL N N 15 117 0.9 . 1 . . . . 68 VAL N . 10021 1 259 . 1 1 69 69 GLY C C 13 175.4 0.4 . 1 . . . . 69 GLY C . 10021 1 260 . 1 1 69 69 GLY CA C 13 46.9 0.4 . 1 . . . . 69 GLY CA . 10021 1 261 . 1 1 69 69 GLY N N 15 107 0.9 . 1 . . . . 69 GLY N . 10021 1 262 . 1 1 70 70 LEU C C 13 178.5 0.4 . 1 . . . . 70 LEU C . 10021 1 263 . 1 1 70 70 LEU CA C 13 57.8 0.4 . 1 . . . . 70 LEU CA . 10021 1 264 . 1 1 70 70 LEU CB C 13 42.1 0.4 . 1 . . . . 70 LEU CB . 10021 1 265 . 1 1 70 70 LEU CG C 13 27.4 0.4 . 1 . . . . 70 LEU CG . 10021 1 266 . 1 1 70 70 LEU CD1 C 13 23.9 0.4 . 1 . . . . 70 LEU CD1 . 10021 1 267 . 1 1 70 70 LEU N N 15 120 0.9 . 1 . . . . 70 LEU N . 10021 1 268 . 1 1 71 71 GLY C C 13 175.4 0.4 . 1 . . . . 71 GLY C . 10021 1 269 . 1 1 71 71 GLY CA C 13 47.7 0.4 . 1 . . . . 71 GLY CA . 10021 1 270 . 1 1 71 71 GLY N N 15 107 0.9 . 1 . . . . 71 GLY N . 10021 1 271 . 1 1 72 72 LEU C C 13 178.5 0.4 . 1 . . . . 72 LEU C . 10021 1 272 . 1 1 72 72 LEU CA C 13 57.8 0.4 . 1 . . . . 72 LEU CA . 10021 1 273 . 1 1 72 72 LEU CB C 13 42.1 0.4 . 1 . . . . 72 LEU CB . 10021 1 274 . 1 1 72 72 LEU CG C 13 27.4 0.4 . 1 . . . . 72 LEU CG . 10021 1 275 . 1 1 72 72 LEU CD1 C 13 23.9 0.4 . 1 . . . . 72 LEU CD1 . 10021 1 276 . 1 1 72 72 LEU N N 15 120 0.9 . 1 . . . . 72 LEU N . 10021 1 277 . 1 1 73 73 TYR CB C 13 37.8 0.4 . 1 . . . . 73 TYR CB . 10021 1 278 . 1 1 73 73 TYR CG C 13 130.7 0.4 . 1 . . . . 73 TYR CG . 10021 1 279 . 1 1 73 73 TYR CD1 C 13 132.6 0.4 . 1 . . . . 73 TYR CD1 . 10021 1 280 . 1 1 73 73 TYR CD2 C 13 132.6 0.4 . 1 . . . . 73 TYR CD2 . 10021 1 281 . 1 1 73 73 TYR CE1 C 13 117.9 0.4 . 1 . . . . 73 TYR CE1 . 10021 1 282 . 1 1 73 73 TYR CE2 C 13 117.9 0.4 . 1 . . . . 73 TYR CE2 . 10021 1 283 . 1 1 74 74 VAL C C 13 178.1 0.4 . 1 . . . . 74 VAL C . 10021 1 284 . 1 1 74 74 VAL CA C 13 66.6 0.4 . 1 . . . . 74 VAL CA . 10021 1 285 . 1 1 74 74 VAL CB C 13 31.6 0.4 . 1 . . . . 74 VAL CB . 10021 1 286 . 1 1 74 74 VAL CG1 C 13 21.9 0.4 . 1 . . . . 74 VAL CG1 . 10021 1 287 . 1 1 75 75 MET CA C 13 60.1 0.4 . 1 . . . . 75 MET CA . 10021 1 288 . 1 1 75 75 MET CB C 13 33.6 0.4 . 1 . . . . 75 MET CB . 10021 1 289 . 1 1 76 76 PHE CA C 13 59.7 0.4 . 1 . . . . 76 PHE CA . 10021 1 290 . 1 1 76 76 PHE CB C 13 43.3 0.4 . 1 . . . . 76 PHE CB . 10021 1 291 . 1 1 76 76 PHE CG C 13 139.3 0.4 . 1 . . . . 76 PHE CG . 10021 1 292 . 1 1 76 76 PHE CD1 C 13 131.5 0.4 . 1 . . . . 76 PHE CD1 . 10021 1 293 . 1 1 76 76 PHE CD2 C 13 131.5 0.4 . 1 . . . . 76 PHE CD2 . 10021 1 294 . 1 1 77 77 ALA C C 13 175.8 0.4 . 1 . . . . 77 ALA C . 10021 1 295 . 1 1 77 77 ALA CA C 13 50.8 0.4 . 1 . . . . 77 ALA CA . 10021 1 296 . 1 1 77 77 ALA CB C 13 21.9 0.4 . 1 . . . . 77 ALA CB . 10021 1 297 . 1 1 78 78 VAL CA C 13 62.0 0.4 . 1 . . . . 78 VAL CA . 10021 1 298 . 1 1 78 78 VAL CB C 13 35.5 0.4 . 1 . . . . 78 VAL CB . 10021 1 299 . 1 1 78 78 VAL CG1 C 13 21.5 0.4 . 1 . . . . 78 VAL CG1 . 10021 1 stop_ save_