################################### # 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 15546 _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 2 '3D NCACX' . . . 15546 1 3 '3D NCOCX' . . . 15546 1 4 '3D CAN(CO)CX' . . . 15546 1 5 '3D CON(CA)CX' . . . 15546 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 16 16 LEU CA C 13 58.20 0.00 . 1 . . . . 16 L CA . 15546 1 2 . 1 1 16 16 LEU CG C 13 26.98 0.00 . 1 . . . . 16 L CG . 15546 1 3 . 1 1 17 17 LEU C C 13 178.54 0.18 . 1 . . . . 17 L C . 15546 1 4 . 1 1 17 17 LEU CA C 13 57.86 0.13 . 1 . . . . 17 L CA . 15546 1 5 . 1 1 17 17 LEU CB C 13 41.40 0.10 . 1 . . . . 17 L CB . 15546 1 6 . 1 1 17 17 LEU CG C 13 27.01 0.03 . 1 . . . . 17 L CG . 15546 1 7 . 1 1 17 17 LEU N N 15 118.49 0.04 . 1 . . . . 17 L N . 15546 1 8 . 1 1 18 18 MET C C 13 180.26 0.07 . 1 . . . . 18 M C . 15546 1 9 . 1 1 18 18 MET CA C 13 60.33 0.12 . 1 . . . . 18 M CA . 15546 1 10 . 1 1 18 18 MET CB C 13 31.67 0.11 . 1 . . . . 18 M CB . 15546 1 11 . 1 1 18 18 MET CG C 13 33.35 0.09 . 1 . . . . 18 M CG . 15546 1 12 . 1 1 18 18 MET N N 15 120.85 0.22 . 1 . . . . 18 M N . 15546 1 13 . 1 1 19 19 ALA C C 13 178.04 0.10 . 1 . . . . 19 A C . 15546 1 14 . 1 1 19 19 ALA CA C 13 55.59 0.10 . 1 . . . . 19 A CA . 15546 1 15 . 1 1 19 19 ALA CB C 13 17.92 0.09 . 1 . . . . 19 A CB . 15546 1 16 . 1 1 19 19 ALA N N 15 123.89 0.15 . 1 . . . . 19 A N . 15546 1 17 . 1 1 20 20 PHE C C 13 176.53 0.01 . 1 . . . . 20 F C . 15546 1 18 . 1 1 20 20 PHE CA C 13 62.49 0.15 . 1 . . . . 20 F CA . 15546 1 19 . 1 1 20 20 PHE N N 15 118.19 0.10 . 1 . . . . 20 F N . 15546 1 20 . 1 1 21 21 THR C C 13 174.08 0.08 . 1 . . . . 21 T C . 15546 1 21 . 1 1 21 21 THR CA C 13 66.06 0.09 . 1 . . . . 21 T CA . 15546 1 22 . 1 1 21 21 THR CB C 13 69.09 0.12 . 1 . . . . 21 T CB . 15546 1 23 . 1 1 21 21 THR CG2 C 13 22.60 0.00 . 1 . . . . 21 T CG2 . 15546 1 24 . 1 1 21 21 THR N N 15 109.25 0.13 . 1 . . . . 21 T N . 15546 1 25 . 1 1 22 22 ALA C C 13 179.35 0.11 . 1 . . . . 22 A C . 15546 1 26 . 1 1 22 22 ALA CA C 13 54.90 0.10 . 1 . . . . 22 A CA . 15546 1 27 . 1 1 22 22 ALA CB C 13 17.73 0.08 . 1 . . . . 22 A CB . 15546 1 28 . 1 1 22 22 ALA N N 15 123.53 0.08 . 1 . . . . 22 A N . 15546 1 29 . 1 1 23 23 LEU C C 13 177.77 0.02 . 1 . . . . 23 L C . 15546 1 30 . 1 1 23 23 LEU CA C 13 57.82 0.07 . 1 . . . . 23 L CA . 15546 1 31 . 1 1 23 23 LEU CB C 13 41.43 0.00 . 1 . . . . 23 L CB . 15546 1 32 . 1 1 23 23 LEU CD1 C 13 22.92 0.00 . 2 . . . . 23 L CD1 . 15546 1 33 . 1 1 23 23 LEU CG C 13 26.89 0.11 . 1 . . . . 23 L CG . 15546 1 34 . 1 1 23 23 LEU N N 15 118.99 0.06 . 1 . . . . 23 L N . 15546 1 35 . 1 1 24 24 ALA C C 13 180.56 0.07 . 1 . . . . 24 A C . 15546 1 36 . 1 1 24 24 ALA CA C 13 55.27 0.08 . 1 . . . . 24 A CA . 15546 1 37 . 1 1 24 24 ALA CB C 13 17.52 0.14 . 1 . . . . 24 A CB . 15546 1 38 . 1 1 24 24 ALA N N 15 119.86 0.12 . 1 . . . . 24 A N . 15546 1 39 . 1 1 25 25 LEU CA C 13 58.13 0.13 . 1 . . . . 25 L CA . 15546 1 40 . 1 1 25 25 LEU CB C 13 43.77 0.00 . 1 . . . . 25 L CB . 15546 1 41 . 1 1 25 25 LEU CG C 13 27.23 0.00 . 1 . . . . 25 L CG . 15546 1 42 . 1 1 25 25 LEU N N 15 119.96 0.23 . 1 . . . . 25 L N . 15546 1 43 . 1 1 28 28 THR C C 13 175.03 0.12 . 1 . . . . 28 T C . 15546 1 44 . 1 1 28 28 THR CA C 13 67.38 0.02 . 1 . . . . 28 T CA . 15546 1 45 . 1 1 29 29 ALA C C 13 179.59 0.09 . 1 . . . . 29 A C . 15546 1 46 . 1 1 29 29 ALA CA C 13 56.05 0.18 . 1 . . . . 29 A CA . 15546 1 47 . 1 1 29 29 ALA CB C 13 16.67 0.06 . 1 . . . . 29 A CB . 15546 1 48 . 1 1 29 29 ALA N N 15 122.54 0.35 . 1 . . . . 29 A N . 15546 1 49 . 1 1 30 30 LEU C C 13 178.02 0.00 . 1 . . . . 30 L C . 15546 1 50 . 1 1 30 30 LEU CA C 13 57.45 0.06 . 1 . . . . 30 L CA . 15546 1 51 . 1 1 30 30 LEU CB C 13 41.81 0.12 . 1 . . . . 30 L CB . 15546 1 52 . 1 1 30 30 LEU CD1 C 13 22.23 0.00 . 2 . . . . 30 L CD1 . 15546 1 53 . 1 1 30 30 LEU CG C 13 26.51 0.05 . 1 . . . . 30 L CG . 15546 1 54 . 1 1 30 30 LEU N N 15 117.40 0.03 . 1 . . . . 30 L N . 15546 1 55 . 1 1 43 43 LEU C C 13 179.10 0.20 . 1 . . . . 43 L C . 15546 1 56 . 1 1 43 43 LEU CA C 13 57.07 0.05 . 1 . . . . 43 L CA . 15546 1 57 . 1 1 43 43 LEU CG C 13 26.82 0.00 . 1 . . . . 43 L CG . 15546 1 58 . 1 1 44 44 CYS C C 13 177.46 0.05 . 1 . . . . 44 C C . 15546 1 59 . 1 1 44 44 CYS CA C 13 59.06 0.12 . 1 . . . . 44 C CA . 15546 1 60 . 1 1 44 44 CYS CB C 13 27.86 0.05 . 1 . . . . 44 C CB . 15546 1 61 . 1 1 44 44 CYS N N 15 114.11 0.17 . 1 . . . . 44 C N . 15546 1 62 . 1 1 45 45 ILE N N 15 121.76 0.03 . 1 . . . . 45 I N . 15546 1 63 . 1 1 49 49 VAL C C 13 176.92 0.07 . 1 . . . . 49 V C . 15546 1 64 . 1 1 49 49 VAL CA C 13 68.32 0.09 . 1 . . . . 49 V CA . 15546 1 65 . 1 1 49 49 VAL CB C 13 30.88 0.21 . 1 . . . . 49 V CB . 15546 1 66 . 1 1 49 49 VAL N N 15 120.91 0.00 . 1 . . . . 49 V N . 15546 1 67 . 1 1 50 50 ALA CA C 13 56.25 0.01 . 1 . . . . 50 A CA . 15546 1 68 . 1 1 50 50 ALA CB C 13 16.68 0.00 . 1 . . . . 50 A CB . 15546 1 69 . 1 1 50 50 ALA N N 15 123.01 0.10 . 1 . . . . 50 A N . 15546 1 70 . 1 1 51 51 LEU C C 13 177.84 0.06 . 1 . . . . 51 L C . 15546 1 71 . 1 1 51 51 LEU CA C 13 57.43 0.12 . 1 . . . . 51 L CA . 15546 1 72 . 1 1 51 51 LEU CB C 13 41.42 0.24 . 1 . . . . 51 L CB . 15546 1 73 . 1 1 51 51 LEU CG C 13 26.44 0.06 . 1 . . . . 51 L CG . 15546 1 74 . 1 1 51 51 LEU N N 15 115.50 0.01 . 1 . . . . 51 L N . 15546 1 75 . 1 1 52 52 PHE C C 13 179.04 0.09 . 1 . . . . 52 F C . 15546 1 76 . 1 1 52 52 PHE CA C 13 62.65 0.18 . 1 . . . . 52 F CA . 15546 1 77 . 1 1 52 52 PHE CB C 13 38.27 0.00 . 1 . . . . 52 F CB . 15546 1 78 . 1 1 52 52 PHE N N 15 122.69 0.12 . 1 . . . . 52 F N . 15546 1 79 . 1 1 53 53 GLY C C 13 175.33 0.17 . 1 . . . . 53 G C . 15546 1 80 . 1 1 53 53 GLY CA C 13 48.09 0.09 . 1 . . . . 53 G CA . 15546 1 81 . 1 1 53 53 GLY N N 15 110.86 0.16 . 1 . . . . 53 G N . 15546 1 82 . 1 1 54 54 VAL C C 13 176.90 0.07 . 1 . . . . 54 V C . 15546 1 83 . 1 1 54 54 VAL CA C 13 67.51 0.08 . 1 . . . . 54 V CA . 15546 1 84 . 1 1 54 54 VAL CB C 13 31.11 0.11 . 1 . . . . 54 V CB . 15546 1 85 . 1 1 54 54 VAL CG1 C 13 22.32 0.11 . 2 . . . . 54 V CG1 . 15546 1 86 . 1 1 54 54 VAL CG2 C 13 21.20 0.03 . 2 . . . . 54 V CG2 . 15546 1 87 . 1 1 54 54 VAL N N 15 121.84 0.11 . 1 . . . . 54 V N . 15546 1 88 . 1 1 55 55 LEU C C 13 178.02 0.19 . 1 . . . . 55 L C . 15546 1 89 . 1 1 55 55 LEU CA C 13 57.97 0.22 . 1 . . . . 55 L CA . 15546 1 90 . 1 1 55 55 LEU N N 15 120.01 0.09 . 1 . . . . 55 L N . 15546 1 91 . 1 1 56 56 GLY C C 13 174.54 0.13 . 1 . . . . 56 G C . 15546 1 92 . 1 1 56 56 GLY CA C 13 47.58 0.07 . 1 . . . . 56 G CA . 15546 1 93 . 1 1 56 56 GLY N N 15 106.35 0.08 . 1 . . . . 56 G N . 15546 1 94 . 1 1 57 57 ALA C C 13 178.57 0.07 . 1 . . . . 57 A C . 15546 1 95 . 1 1 57 57 ALA CA C 13 55.59 0.09 . 1 . . . . 57 A CA . 15546 1 96 . 1 1 57 57 ALA CB C 13 17.96 0.07 . 1 . . . . 57 A CB . 15546 1 97 . 1 1 57 57 ALA N N 15 122.96 0.15 . 1 . . . . 57 A N . 15546 1 98 . 1 1 58 58 ALA C C 13 179.27 0.18 . 1 . . . . 58 A C . 15546 1 99 . 1 1 58 58 ALA CA C 13 54.76 0.11 . 1 . . . . 58 A CA . 15546 1 100 . 1 1 58 58 ALA CB C 13 17.85 0.10 . 1 . . . . 58 A CB . 15546 1 101 . 1 1 58 58 ALA N N 15 118.81 0.13 . 1 . . . . 58 A N . 15546 1 102 . 1 1 59 59 LEU C C 13 177.70 0.05 . 1 . . . . 59 L C . 15546 1 103 . 1 1 59 59 LEU CA C 13 57.45 0.07 . 1 . . . . 59 L CA . 15546 1 104 . 1 1 59 59 LEU CB C 13 41.05 0.06 . 1 . . . . 59 L CB . 15546 1 105 . 1 1 59 59 LEU CG C 13 26.22 0.03 . 1 . . . . 59 L CG . 15546 1 106 . 1 1 59 59 LEU N N 15 115.36 0.13 . 1 . . . . 59 L N . 15546 1 107 . 1 1 60 60 ILE C C 13 179.86 0.14 . 1 . . . . 60 I C . 15546 1 108 . 1 1 60 60 ILE CA C 13 64.45 0.15 . 1 . . . . 60 I CA . 15546 1 109 . 1 1 60 60 ILE CB C 13 37.10 0.00 . 1 . . . . 60 I CB . 15546 1 110 . 1 1 60 60 ILE N N 15 116.19 0.13 . 1 . . . . 60 I N . 15546 1 111 . 1 1 61 61 GLY C C 13 173.60 0.07 . 1 . . . . 61 G C . 15546 1 112 . 1 1 61 61 GLY CA C 13 45.71 0.12 . 1 . . . . 61 G CA . 15546 1 113 . 1 1 61 61 GLY N N 15 110.31 0.12 . 1 . . . . 61 G N . 15546 1 114 . 1 1 62 62 ALA C C 13 176.26 0.00 . 1 . . . . 62 A C . 15546 1 115 . 1 1 62 62 ALA CA C 13 53.21 0.10 . 1 . . . . 62 A CA . 15546 1 116 . 1 1 62 62 ALA CB C 13 19.02 0.01 . 1 . . . . 62 A CB . 15546 1 117 . 1 1 62 62 ALA N N 15 118.95 0.16 . 1 . . . . 62 A N . 15546 1 118 . 1 1 63 63 ILE N N 15 116.46 0.00 . 1 . . . . 63 I N . 15546 1 119 . 1 1 72 72 VAL C C 13 177.58 0.14 . 1 . . . . 72 V C . 15546 1 120 . 1 1 72 72 VAL CA C 13 66.15 0.10 . 1 . . . . 72 V CA . 15546 1 121 . 1 1 72 72 VAL CB C 13 31.38 0.14 . 1 . . . . 72 V CB . 15546 1 122 . 1 1 72 72 VAL CG1 C 13 22.75 0.00 . 2 . . . . 72 V CG1 . 15546 1 123 . 1 1 72 72 VAL CG2 C 13 21.17 0.00 . 2 . . . . 72 V CG2 . 15546 1 124 . 1 1 72 72 VAL N N 15 119.00 0.00 . 1 . . . . 72 V N . 15546 1 125 . 1 1 73 73 ALA C C 13 179.69 0.12 . 1 . . . . 73 A C . 15546 1 126 . 1 1 73 73 ALA CA C 13 55.79 0.13 . 1 . . . . 73 A CA . 15546 1 127 . 1 1 73 73 ALA CB C 13 19.29 0.08 . 1 . . . . 73 A CB . 15546 1 128 . 1 1 73 73 ALA N N 15 120.04 0.13 . 1 . . . . 73 A N . 15546 1 129 . 1 1 74 74 MET C C 13 177.07 0.17 . 1 . . . . 74 M C . 15546 1 130 . 1 1 74 74 MET CA C 13 61.00 0.06 . 1 . . . . 74 M CA . 15546 1 131 . 1 1 74 74 MET CB C 13 33.65 0.00 . 1 . . . . 74 M CB . 15546 1 132 . 1 1 74 74 MET CG C 13 36.04 0.00 . 1 . . . . 74 M CG . 15546 1 133 . 1 1 74 74 MET N N 15 115.58 0.14 . 1 . . . . 74 M N . 15546 1 134 . 1 1 75 75 VAL C C 13 177.13 0.11 . 1 . . . . 75 V C . 15546 1 135 . 1 1 75 75 VAL CA C 13 67.78 0.15 . 1 . . . . 75 V CA . 15546 1 136 . 1 1 75 75 VAL CB C 13 31.47 0.18 . 1 . . . . 75 V CB . 15546 1 137 . 1 1 75 75 VAL CG1 C 13 23.33 0.15 . 2 . . . . 75 V CG1 . 15546 1 138 . 1 1 75 75 VAL CG2 C 13 21.56 0.00 . 2 . . . . 75 V CG2 . 15546 1 139 . 1 1 75 75 VAL N N 15 118.57 0.20 . 1 . . . . 75 V N . 15546 1 140 . 1 1 76 76 ILE C C 13 178.60 0.06 . 1 . . . . 76 I C . 15546 1 141 . 1 1 76 76 ILE CA C 13 65.97 0.16 . 1 . . . . 76 I CA . 15546 1 142 . 1 1 76 76 ILE CB C 13 38.46 0.06 . 1 . . . . 76 I CB . 15546 1 143 . 1 1 76 76 ILE CG1 C 13 31.33 0.00 . 1 . . . . 76 I CG1 . 15546 1 144 . 1 1 76 76 ILE CG2 C 13 16.99 0.00 . 1 . . . . 76 I CG2 . 15546 1 145 . 1 1 76 76 ILE N N 15 119.01 0.23 . 1 . . . . 76 I N . 15546 1 146 . 1 1 77 77 TRP C C 13 177.18 0.12 . 1 . . . . 77 W C . 15546 1 147 . 1 1 77 77 TRP CA C 13 58.81 0.11 . 1 . . . . 77 W CA . 15546 1 148 . 1 1 77 77 TRP CB C 13 30.83 0.18 . 1 . . . . 77 W CB . 15546 1 149 . 1 1 77 77 TRP CD1 C 13 122.57 0.00 . 4 . . . . 77 W CD1 . 15546 1 150 . 1 1 77 77 TRP CG C 13 114.13 0.00 . 1 . . . . 77 W CG . 15546 1 151 . 1 1 77 77 TRP N N 15 125.39 0.17 . 1 . . . . 77 W N . 15546 1 152 . 1 1 78 78 LEU C C 13 178.28 0.08 . 1 . . . . 78 L C . 15546 1 153 . 1 1 78 78 LEU CA C 13 58.24 0.20 . 1 . . . . 78 L CA . 15546 1 154 . 1 1 78 78 LEU CB C 13 43.80 0.18 . 1 . . . . 78 L CB . 15546 1 155 . 1 1 78 78 LEU CG C 13 27.08 0.18 . 1 . . . . 78 L CG . 15546 1 156 . 1 1 78 78 LEU N N 15 118.81 0.14 . 1 . . . . 78 L N . 15546 1 157 . 1 1 79 79 TYR C C 13 176.67 0.13 . 1 . . . . 79 Y C . 15546 1 158 . 1 1 79 79 TYR CA C 13 62.70 0.16 . 1 . . . . 79 Y CA . 15546 1 159 . 1 1 79 79 TYR N N 15 118.36 0.03 . 1 . . . . 79 Y N . 15546 1 160 . 1 1 80 80 SER C C 13 175.91 0.08 . 1 . . . . 80 S C . 15546 1 161 . 1 1 80 80 SER CA C 13 63.55 0.04 . 1 . . . . 80 S CA . 15546 1 162 . 1 1 80 80 SER N N 15 114.16 0.13 . 1 . . . . 80 S N . 15546 1 163 . 1 1 81 81 ALA C C 13 178.02 0.09 . 1 . . . . 81 A C . 15546 1 164 . 1 1 81 81 ALA CA C 13 55.18 0.09 . 1 . . . . 81 A CA . 15546 1 165 . 1 1 81 81 ALA CB C 13 17.86 0.07 . 1 . . . . 81 A CB . 15546 1 166 . 1 1 81 81 ALA N N 15 121.07 0.13 . 1 . . . . 81 A N . 15546 1 167 . 1 1 82 82 PHE N N 15 119.34 0.00 . 1 . . . . 82 F N . 15546 1 168 . 1 1 84 84 GLY C C 13 176.80 0.09 . 1 . . . . 84 G C . 15546 1 169 . 1 1 84 84 GLY CA C 13 46.18 0.00 . 1 . . . . 84 G CA . 15546 1 170 . 1 1 85 85 VAL C C 13 176.29 0.07 . 1 . . . . 85 V C . 15546 1 171 . 1 1 85 85 VAL CA C 13 67.05 0.10 . 1 . . . . 85 V CA . 15546 1 172 . 1 1 85 85 VAL CB C 13 30.83 0.08 . 1 . . . . 85 V CB . 15546 1 173 . 1 1 85 85 VAL CG1 C 13 23.76 0.00 . 2 . . . . 85 V CG1 . 15546 1 174 . 1 1 85 85 VAL CG2 C 13 21.78 0.00 . 2 . . . . 85 V CG2 . 15546 1 175 . 1 1 85 85 VAL N N 15 124.85 0.24 . 1 . . . . 85 V N . 15546 1 176 . 1 1 86 86 GLN C C 13 178.76 0.00 . 1 . . . . 86 Q C . 15546 1 177 . 1 1 86 86 GLN CA C 13 59.49 0.07 . 1 . . . . 86 Q CA . 15546 1 178 . 1 1 86 86 GLN CB C 13 29.28 0.00 . 1 . . . . 86 Q CB . 15546 1 179 . 1 1 86 86 GLN N N 15 116.56 0.23 . 1 . . . . 86 Q N . 15546 1 180 . 1 1 146 146 LEU C C 13 177.05 0.08 . 1 . . . . 146 L C . 15546 1 181 . 1 1 146 146 LEU CA C 13 56.61 0.04 . 1 . . . . 146 L CA . 15546 1 182 . 1 1 146 146 LEU CB C 13 41.56 0.00 . 1 . . . . 146 L CB . 15546 1 183 . 1 1 146 146 LEU CG C 13 26.14 0.00 . 1 . . . . 146 L CG . 15546 1 184 . 1 1 147 147 LEU C C 13 178.72 0.11 . 1 . . . . 147 L C . 15546 1 185 . 1 1 147 147 LEU CA C 13 58.13 0.12 . 1 . . . . 147 L CA . 15546 1 186 . 1 1 147 147 LEU CB C 13 40.83 0.08 . 1 . . . . 147 L CB . 15546 1 187 . 1 1 147 147 LEU CG C 13 27.41 0.21 . 1 . . . . 147 L CG . 15546 1 188 . 1 1 147 147 LEU N N 15 123.61 0.16 . 1 . . . . 147 L N . 15546 1 189 . 1 1 148 148 GLY C C 13 174.48 0.20 . 1 . . . . 148 G C . 15546 1 190 . 1 1 148 148 GLY CA C 13 48.15 0.04 . 1 . . . . 148 G CA . 15546 1 191 . 1 1 148 148 GLY N N 15 104.53 0.09 . 1 . . . . 148 G N . 15546 1 192 . 1 1 149 149 ILE C C 13 177.72 0.11 . 1 . . . . 149 I C . 15546 1 193 . 1 1 149 149 ILE CA C 13 65.99 0.07 . 1 . . . . 149 I CA . 15546 1 194 . 1 1 149 149 ILE CB C 13 38.37 0.08 . 1 . . . . 149 I CB . 15546 1 195 . 1 1 149 149 ILE CG1 C 13 29.86 0.06 . 1 . . . . 149 I CG1 . 15546 1 196 . 1 1 149 149 ILE CG2 C 13 18.15 0.02 . 1 . . . . 149 I CG2 . 15546 1 197 . 1 1 149 149 ILE N N 15 121.82 0.12 . 1 . . . . 149 I N . 15546 1 198 . 1 1 150 150 PHE C C 13 178.94 0.06 . 1 . . . . 150 F C . 15546 1 199 . 1 1 150 150 PHE CA C 13 63.41 0.12 . 1 . . . . 150 F CA . 15546 1 200 . 1 1 150 150 PHE CB C 13 38.27 0.19 . 1 . . . . 150 F CB . 15546 1 201 . 1 1 150 150 PHE N N 15 118.87 0.14 . 1 . . . . 150 F N . 15546 1 202 . 1 1 151 151 ILE C C 13 177.29 0.09 . 1 . . . . 151 I C . 15546 1 203 . 1 1 151 151 ILE CA C 13 66.63 0.06 . 1 . . . . 151 I CA . 15546 1 204 . 1 1 151 151 ILE CB C 13 37.38 0.07 . 1 . . . . 151 I CB . 15546 1 205 . 1 1 151 151 ILE CG1 C 13 31.01 0.00 . 1 . . . . 151 I CG1 . 15546 1 206 . 1 1 151 151 ILE CG2 C 13 18.01 0.12 . 1 . . . . 151 I CG2 . 15546 1 207 . 1 1 151 151 ILE N N 15 120.44 0.22 . 1 . . . . 151 I N . 15546 1 208 . 1 1 152 152 ALA C C 13 179.13 0.03 . 1 . . . . 152 A C . 15546 1 209 . 1 1 152 152 ALA CA C 13 56.27 0.10 . 1 . . . . 152 A CA . 15546 1 210 . 1 1 152 152 ALA CB C 13 17.92 0.14 . 1 . . . . 152 A CB . 15546 1 211 . 1 1 152 152 ALA N N 15 122.85 0.15 . 1 . . . . 152 A N . 15546 1 212 . 1 1 153 153 TYR C C 13 179.70 0.10 . 1 . . . . 153 Y C . 15546 1 213 . 1 1 153 153 TYR CA C 13 64.37 0.09 . 1 . . . . 153 Y CA . 15546 1 214 . 1 1 153 153 TYR CB C 13 39.56 0.05 . 1 . . . . 153 Y CB . 15546 1 215 . 1 1 153 153 TYR N N 15 116.19 0.09 . 1 . . . . 153 Y N . 15546 1 216 . 1 1 154 154 LEU C C 13 177.04 0.09 . 1 . . . . 154 L C . 15546 1 217 . 1 1 154 154 LEU CA C 13 57.88 0.08 . 1 . . . . 154 L CA . 15546 1 218 . 1 1 154 154 LEU CB C 13 41.88 0.11 . 1 . . . . 154 L CB . 15546 1 219 . 1 1 154 154 LEU CG C 13 27.06 0.06 . 1 . . . . 154 L CG . 15546 1 220 . 1 1 154 154 LEU N N 15 122.43 0.18 . 1 . . . . 154 L N . 15546 1 221 . 1 1 155 155 ILE C C 13 177.59 0.13 . 1 . . . . 155 I C . 15546 1 222 . 1 1 155 155 ILE CA C 13 66.04 0.13 . 1 . . . . 155 I CA . 15546 1 223 . 1 1 155 155 ILE CB C 13 38.23 0.14 . 1 . . . . 155 I CB . 15546 1 224 . 1 1 155 155 ILE CG1 C 13 31.49 0.00 . 1 . . . . 155 I CG1 . 15546 1 225 . 1 1 155 155 ILE N N 15 119.04 0.18 . 1 . . . . 155 I N . 15546 1 226 . 1 1 156 156 VAL C C 13 176.09 0.12 . 1 . . . . 156 V C . 15546 1 227 . 1 1 156 156 VAL CA C 13 67.72 0.06 . 1 . . . . 156 V CA . 15546 1 228 . 1 1 156 156 VAL CB C 13 31.75 0.11 . 1 . . . . 156 V CB . 15546 1 229 . 1 1 156 156 VAL CG1 C 13 24.32 0.00 . 2 . . . . 156 V CG1 . 15546 1 230 . 1 1 156 156 VAL CG2 C 13 23.06 0.08 . 2 . . . . 156 V CG2 . 15546 1 231 . 1 1 156 156 VAL N N 15 117.53 0.16 . 1 . . . . 156 V N . 15546 1 232 . 1 1 157 157 ALA C C 13 178.98 0.10 . 1 . . . . 157 A C . 15546 1 233 . 1 1 157 157 ALA CA C 13 54.80 0.07 . 1 . . . . 157 A CA . 15546 1 234 . 1 1 157 157 ALA CB C 13 16.04 0.07 . 1 . . . . 157 A CB . 15546 1 235 . 1 1 157 157 ALA N N 15 122.43 0.12 . 1 . . . . 157 A N . 15546 1 236 . 1 1 158 158 VAL C C 13 177.55 0.16 . 1 . . . . 158 V C . 15546 1 237 . 1 1 158 158 VAL CA C 13 67.19 0.12 . 1 . . . . 158 V CA . 15546 1 238 . 1 1 158 158 VAL CB C 13 31.40 0.12 . 1 . . . . 158 V CB . 15546 1 239 . 1 1 158 158 VAL CG1 C 13 23.55 0.00 . 2 . . . . 158 V CG1 . 15546 1 240 . 1 1 158 158 VAL CG2 C 13 21.90 0.00 . 2 . . . . 158 V CG2 . 15546 1 241 . 1 1 158 158 VAL N N 15 116.12 0.16 . 1 . . . . 158 V N . 15546 1 242 . 1 1 159 159 LEU C C 13 178.18 0.07 . 1 . . . . 159 L C . 15546 1 243 . 1 1 159 159 LEU CA C 13 57.46 0.16 . 1 . . . . 159 L CA . 15546 1 244 . 1 1 159 159 LEU CB C 13 41.28 0.20 . 1 . . . . 159 L CB . 15546 1 245 . 1 1 159 159 LEU CG C 13 26.80 0.20 . 1 . . . . 159 L CG . 15546 1 246 . 1 1 159 159 LEU N N 15 117.40 0.17 . 1 . . . . 159 L N . 15546 1 247 . 1 1 160 160 VAL C C 13 177.56 0.04 . 1 . . . . 160 V C . 15546 1 248 . 1 1 160 160 VAL CA C 13 67.30 0.15 . 1 . . . . 160 V CA . 15546 1 249 . 1 1 160 160 VAL CB C 13 30.94 0.00 . 1 . . . . 160 V CB . 15546 1 250 . 1 1 160 160 VAL CG1 C 13 23.61 0.00 . 2 . . . . 160 V CG1 . 15546 1 251 . 1 1 160 160 VAL N N 15 118.94 0.15 . 1 . . . . 160 V N . 15546 1 252 . 1 1 161 161 VAL C C 13 176.79 0.08 . 1 . . . . 161 V C . 15546 1 253 . 1 1 161 161 VAL CA C 13 67.72 0.08 . 1 . . . . 161 V CA . 15546 1 254 . 1 1 161 161 VAL CB C 13 31.68 0.01 . 1 . . . . 161 V CB . 15546 1 255 . 1 1 161 161 VAL CG1 C 13 23.19 0.00 . 2 . . . . 161 V CG1 . 15546 1 256 . 1 1 161 161 VAL CG2 C 13 21.48 0.00 . 2 . . . . 161 V CG2 . 15546 1 257 . 1 1 161 161 VAL N N 15 118.53 0.07 . 1 . . . . 161 V N . 15546 1 258 . 1 1 162 162 ILE N N 15 118.50 0.06 . 1 . . . . 162 I N . 15546 1 stop_ save_