################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5757 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5757 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 2 2 VAL N N 15 116.5 0.1 . 1 . . . . . . . . 5757 1 2 . 1 1 2 2 VAL CA C 13 58.0 0.1 . 1 . . . . . . . . 5757 1 3 . 1 1 2 2 VAL CB C 13 35.1 0.1 . 1 . . . . . . . . 5757 1 4 . 1 1 2 2 VAL CG1 C 13 21.5 0.1 . 1 . . . . . . . . 5757 1 5 . 1 1 2 2 VAL CG2 C 13 21.5 0.1 . 1 . . . . . . . . 5757 1 6 . 1 1 2 2 VAL C C 13 174.0 0.1 . 1 . . . . . . . . 5757 1 7 . 1 1 3 3 GLN N N 15 82.6 0.1 . 1 . . . . . . . . 5757 1 8 . 1 1 3 3 GLN CA C 13 54.9 0.1 . 1 . . . . . . . . 5757 1 9 . 1 1 3 3 GLN CB C 13 32.7 0.1 . 1 . . . . . . . . 5757 1 10 . 1 1 3 3 GLN CG C 13 30.9 0.1 . 1 . . . . . . . . 5757 1 11 . 1 1 3 3 GLN C C 13 172.2 0.1 . 1 . . . . . . . . 5757 1 12 . 1 1 4 4 GLN N N 15 125.5 0.1 . 1 . . . . . . . . 5757 1 13 . 1 1 4 4 GLN CA C 13 55.5 0.1 . 1 . . . . . . . . 5757 1 14 . 1 1 4 4 GLN CB C 13 32.2 0.1 . 1 . . . . . . . . 5757 1 15 . 1 1 4 4 GLN CG C 13 33.2 0.1 . 1 . . . . . . . . 5757 1 16 . 1 1 4 4 GLN CD C 13 180.2 0.1 . 1 . . . . . . . . 5757 1 17 . 1 1 4 4 GLN C C 13 174.1 0.1 . 1 . . . . . . . . 5757 1 18 . 1 1 5 5 LYS N N 15 115.2 0.1 . 1 . . . . . . . . 5757 1 19 . 1 1 5 5 LYS CA C 13 53.5 0.1 . 1 . . . . . . . . 5757 1 20 . 1 1 5 5 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 5757 1 21 . 1 1 5 5 LYS CG C 13 24.5 0.1 . 1 . . . . . . . . 5757 1 22 . 1 1 5 5 LYS CD C 13 28.8 0.1 . 1 . . . . . . . . 5757 1 23 . 1 1 5 5 LYS CE C 13 40.1 0.1 . 1 . . . . . . . . 5757 1 24 . 1 1 5 5 LYS C C 13 174.9 0.1 . 1 . . . . . . . . 5757 1 25 . 1 1 6 6 VAL N N 15 117.4 0.1 . 1 . . . . . . . . 5757 1 26 . 1 1 6 6 VAL CA C 13 55.5 0.1 . 1 . . . . . . . . 5757 1 27 . 1 1 6 6 VAL CB C 13 35.6 0.1 . 1 . . . . . . . . 5757 1 28 . 1 1 6 6 VAL CG1 C 13 19.8 0.1 . 2 . . . . . . . . 5757 1 29 . 1 1 6 6 VAL CG2 C 13 22.9 0.1 . 2 . . . . . . . . 5757 1 30 . 1 1 6 6 VAL C C 13 175.6 0.1 . 1 . . . . . . . . 5757 1 31 . 1 1 7 7 GLU N N 15 123.3 0.1 . 1 . . . . . . . . 5757 1 32 . 1 1 7 7 GLU CA C 13 54.5 0.1 . 1 . . . . . . . . 5757 1 33 . 1 1 7 7 GLU CB C 13 31.3 0.1 . 1 . . . . . . . . 5757 1 34 . 1 1 7 7 GLU CG C 13 36.8 0.1 . 1 . . . . . . . . 5757 1 35 . 1 1 7 7 GLU CD C 13 182.9 0.1 . 1 . . . . . . . . 5757 1 36 . 1 1 7 7 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 5757 1 37 . 1 1 8 8 VAL N N 15 122.7 0.1 . 1 . . . . . . . . 5757 1 38 . 1 1 8 8 VAL CA C 13 63.7 0.1 . 1 . . . . . . . . 5757 1 39 . 1 1 8 8 VAL CB C 13 31.1 0.1 . 1 . . . . . . . . 5757 1 40 . 1 1 8 8 VAL CG1 C 13 21.6 0.1 . 2 . . . . . . . . 5757 1 41 . 1 1 8 8 VAL CG2 C 13 22.4 0.1 . 2 . . . . . . . . 5757 1 42 . 1 1 8 8 VAL C C 13 176.8 0.1 . 1 . . . . . . . . 5757 1 43 . 1 1 9 9 ARG N N 15 126.8 0.1 . 1 . . . . . . . . 5757 1 44 . 1 1 9 9 ARG CA C 13 54.1 0.1 . 1 . . . . . . . . 5757 1 45 . 1 1 9 9 ARG CB C 13 28.0 0.1 . 1 . . . . . . . . 5757 1 46 . 1 1 10 10 LEU N N 15 116.7 0.1 . 1 . . . . . . . . 5757 1 47 . 1 1 10 10 LEU CA C 13 52.9 0.1 . 1 . . . . . . . . 5757 1 48 . 1 1 10 10 LEU CB C 13 43.0 0.1 . 1 . . . . . . . . 5757 1 49 . 1 1 10 10 LEU CG C 13 25.5 0.1 . 1 . . . . . . . . 5757 1 50 . 1 1 10 10 LEU CD1 C 13 21.0 0.1 . 1 . . . . . . . . 5757 1 51 . 1 1 10 10 LEU CD2 C 13 21.0 0.1 . 1 . . . . . . . . 5757 1 52 . 1 1 11 11 LYS N N 15 118.6 0.1 . 1 . . . . . . . . 5757 1 53 . 1 1 11 11 LYS CA C 13 58.1 0.1 . 1 . . . . . . . . 5757 1 54 . 1 1 11 11 LYS CB C 13 33.3 0.1 . 1 . . . . . . . . 5757 1 55 . 1 1 11 11 LYS C C 13 174.1 0.1 . 1 . . . . . . . . 5757 1 56 . 1 1 12 12 THR N N 15 109.5 0.1 . 1 . . . . . . . . 5757 1 57 . 1 1 12 12 THR CA C 13 59.1 0.1 . 1 . . . . . . . . 5757 1 58 . 1 1 12 12 THR CB C 13 73.4 0.1 . 1 . . . . . . . . 5757 1 59 . 1 1 12 12 THR CG2 C 13 20.7 0.1 . 1 . . . . . . . . 5757 1 60 . 1 1 12 12 THR C C 13 173.8 0.1 . 1 . . . . . . . . 5757 1 61 . 1 1 13 13 GLY N N 15 106.4 0.1 . 1 . . . . . . . . 5757 1 62 . 1 1 13 13 GLY CA C 13 44.9 0.1 . 1 . . . . . . . . 5757 1 63 . 1 1 13 13 GLY C C 13 172.1 0.1 . 1 . . . . . . . . 5757 1 64 . 1 1 14 14 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 5757 1 65 . 1 1 14 14 LEU CA C 13 56.2 0.1 . 1 . . . . . . . . 5757 1 66 . 1 1 14 14 LEU CB C 13 43.4 0.1 . 1 . . . . . . . . 5757 1 67 . 1 1 14 14 LEU CG C 13 26.6 0.1 . 1 . . . . . . . . 5757 1 68 . 1 1 14 14 LEU CD1 C 13 24.8 0.1 . 1 . . . . . . . . 5757 1 69 . 1 1 14 14 LEU CD2 C 13 24.8 0.1 . 1 . . . . . . . . 5757 1 70 . 1 1 14 14 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 5757 1 71 . 1 1 15 15 GLN N N 15 118.4 0.1 . 1 . . . . . . . . 5757 1 72 . 1 1 15 15 GLN CA C 13 55.3 0.1 . 1 . . . . . . . . 5757 1 73 . 1 1 15 15 GLN CB C 13 33.8 0.1 . 1 . . . . . . . . 5757 1 74 . 1 1 15 15 GLN CG C 13 32.1 0.1 . 1 . . . . . . . . 5757 1 75 . 1 1 15 15 GLN CD C 13 180.1 0.1 . 1 . . . . . . . . 5757 1 76 . 1 1 15 15 GLN C C 13 174.1 0.1 . 1 . . . . . . . . 5757 1 77 . 1 1 16 16 ALA N N 15 118.2 0.1 . 1 . . . . . . . . 5757 1 78 . 1 1 16 16 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 5757 1 79 . 1 1 16 16 ALA CB C 13 16.9 0.1 . 1 . . . . . . . . 5757 1 80 . 1 1 16 16 ALA C C 13 179.1 0.1 . 1 . . . . . . . . 5757 1 81 . 1 1 17 17 ARG N N 15 121.4 0.1 . 1 . . . . . . . . 5757 1 82 . 1 1 17 17 ARG CA C 13 61.4 0.1 . 1 . . . . . . . . 5757 1 83 . 1 1 17 17 ARG CB C 13 27.2 0.1 . 1 . . . . . . . . 5757 1 84 . 1 1 17 17 ARG C C 13 177.5 0.1 . 1 . . . . . . . . 5757 1 85 . 1 1 18 18 PRO N N 15 133.6 0.1 . 1 . . . . . . . . 5757 1 86 . 1 1 18 18 PRO CA C 13 65.1 0.1 . 1 . . . . . . . . 5757 1 87 . 1 1 18 18 PRO CB C 13 31.6 0.1 . 1 . . . . . . . . 5757 1 88 . 1 1 18 18 PRO CG C 13 28.2 0.1 . 1 . . . . . . . . 5757 1 89 . 1 1 18 18 PRO CD C 13 49.2 0.1 . 1 . . . . . . . . 5757 1 90 . 1 1 18 18 PRO C C 13 180.0 0.1 . 1 . . . . . . . . 5757 1 91 . 1 1 19 19 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 5757 1 92 . 1 1 19 19 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5757 1 93 . 1 1 19 19 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5757 1 94 . 1 1 20 20 ALA N N 15 121.5 0.1 . 1 . . . . . . . . 5757 1 95 . 1 1 20 20 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . 5757 1 96 . 1 1 20 20 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5757 1 97 . 1 1 21 21 LEU N N 15 119.6 0.1 . 1 . . . . . . . . 5757 1 98 . 1 1 21 21 LEU CA C 13 56.9 0.1 . 1 . . . . . . . . 5757 1 99 . 1 1 21 21 LEU CB C 13 40.6 0.1 . 1 . . . . . . . . 5757 1 100 . 1 1 21 21 LEU CG C 13 26.9 0.1 . 1 . . . . . . . . 5757 1 101 . 1 1 21 21 LEU CD1 C 13 20.8 0.1 . 1 . . . . . . . . 5757 1 102 . 1 1 21 21 LEU CD2 C 13 20.8 0.1 . 1 . . . . . . . . 5757 1 103 . 1 1 21 21 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 5757 1 104 . 1 1 22 22 PHE N N 15 122.6 0.1 . 1 . . . . . . . . 5757 1 105 . 1 1 22 22 PHE CA C 13 61.1 0.1 . 1 . . . . . . . . 5757 1 106 . 1 1 22 22 PHE CB C 13 38.4 0.1 . 1 . . . . . . . . 5757 1 107 . 1 1 22 22 PHE CG C 13 138.9 0.1 . 1 . . . . . . . . 5757 1 108 . 1 1 22 22 PHE CD1 C 13 131.6 0.1 . 1 . . . . . . . . 5757 1 109 . 1 1 22 22 PHE CD2 C 13 131.6 0.1 . 1 . . . . . . . . 5757 1 110 . 1 1 22 22 PHE C C 13 177.6 0.1 . 1 . . . . . . . . 5757 1 111 . 1 1 23 23 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 5757 1 112 . 1 1 23 23 VAL CA C 13 66.6 0.1 . 1 . . . . . . . . 5757 1 113 . 1 1 23 23 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 5757 1 114 . 1 1 23 23 VAL CG1 C 13 22.0 0.1 . 2 . . . . . . . . 5757 1 115 . 1 1 23 23 VAL CG2 C 13 23.3 0.1 . 2 . . . . . . . . 5757 1 116 . 1 1 23 23 VAL C C 13 177.0 0.1 . 1 . . . . . . . . 5757 1 117 . 1 1 24 24 GLN N N 15 118.2 0.1 . 1 . . . . . . . . 5757 1 118 . 1 1 24 24 GLN CA C 13 58.7 0.1 . 1 . . . . . . . . 5757 1 119 . 1 1 24 24 GLN CB C 13 29.0 0.1 . 1 . . . . . . . . 5757 1 120 . 1 1 24 24 GLN CG C 13 34.2 0.1 . 1 . . . . . . . . 5757 1 121 . 1 1 24 24 GLN CD C 13 180.1 0.1 . 1 . . . . . . . . 5757 1 122 . 1 1 25 25 GLU N N 15 117.9 0.1 . 1 . . . . . . . . 5757 1 123 . 1 1 25 25 GLU CA C 13 57.8 0.1 . 1 . . . . . . . . 5757 1 124 . 1 1 25 25 GLU CB C 13 28.6 0.1 . 1 . . . . . . . . 5757 1 125 . 1 1 25 25 GLU CG C 13 34.4 0.1 . 1 . . . . . . . . 5757 1 126 . 1 1 25 25 GLU CD C 13 182.7 0.1 . 1 . . . . . . . . 5757 1 127 . 1 1 26 26 ALA N N 15 118.2 0.1 . 1 . . . . . . . . 5757 1 128 . 1 1 26 26 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . 5757 1 129 . 1 1 26 26 ALA CB C 13 17.8 0.1 . 1 . . . . . . . . 5757 1 130 . 1 1 27 27 ASN N N 15 113.9 0.1 . 1 . . . . . . . . 5757 1 131 . 1 1 27 27 ASN CA C 13 53.8 0.1 . 1 . . . . . . . . 5757 1 132 . 1 1 27 27 ASN CB C 13 38.4 0.1 . 1 . . . . . . . . 5757 1 133 . 1 1 27 27 ASN CG C 13 176.1 0.1 . 1 . . . . . . . . 5757 1 134 . 1 1 27 27 ASN ND2 N 15 110.3 0.1 . 1 . . . . . . . . 5757 1 135 . 1 1 28 28 ARG N N 15 117.9 0.1 . 1 . . . . . . . . 5757 1 136 . 1 1 28 28 ARG CA C 13 57.2 0.1 . 1 . . . . . . . . 5757 1 137 . 1 1 28 28 ARG CB C 13 28.9 0.1 . 1 . . . . . . . . 5757 1 138 . 1 1 28 28 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 5757 1 139 . 1 1 28 28 ARG CD C 13 42.8 0.1 . 1 . . . . . . . . 5757 1 140 . 1 1 29 29 PHE N N 15 118.5 0.1 . 1 . . . . . . . . 5757 1 141 . 1 1 29 29 PHE CA C 13 56.8 0.1 . 1 . . . . . . . . 5757 1 142 . 1 1 29 29 PHE CB C 13 39.6 0.1 . 1 . . . . . . . . 5757 1 143 . 1 1 29 29 PHE CG C 13 140.5 0.1 . 1 . . . . . . . . 5757 1 144 . 1 1 29 29 PHE CD1 C 13 131.5 0.1 . 1 . . . . . . . . 5757 1 145 . 1 1 29 29 PHE CD2 C 13 131.5 0.1 . 1 . . . . . . . . 5757 1 146 . 1 1 29 29 PHE C C 13 175.8 0.1 . 1 . . . . . . . . 5757 1 147 . 1 1 30 30 THR N N 15 119.8 0.1 . 1 . . . . . . . . 5757 1 148 . 1 1 30 30 THR CA C 13 63.8 0.1 . 1 . . . . . . . . 5757 1 149 . 1 1 30 30 THR CB C 13 68.7 0.1 . 1 . . . . . . . . 5757 1 150 . 1 1 30 30 THR CG2 C 13 21.9 0.1 . 1 . . . . . . . . 5757 1 151 . 1 1 30 30 THR C C 13 177.7 0.1 . 1 . . . . . . . . 5757 1 152 . 1 1 31 31 SER N N 15 121.6 0.1 . 1 . . . . . . . . 5757 1 153 . 1 1 31 31 SER CA C 13 61.6 0.1 . 1 . . . . . . . . 5757 1 154 . 1 1 31 31 SER CB C 13 64.9 0.1 . 1 . . . . . . . . 5757 1 155 . 1 1 31 31 SER C C 13 173.7 0.1 . 1 . . . . . . . . 5757 1 156 . 1 1 32 32 ASP N N 15 121.5 0.1 . 1 . . . . . . . . 5757 1 157 . 1 1 32 32 ASP CA C 13 54.2 0.1 . 1 . . . . . . . . 5757 1 158 . 1 1 32 32 ASP CB C 13 42.2 0.1 . 1 . . . . . . . . 5757 1 159 . 1 1 32 32 ASP CG C 13 180.2 0.1 . 1 . . . . . . . . 5757 1 160 . 1 1 32 32 ASP C C 13 175.5 0.1 . 1 . . . . . . . . 5757 1 161 . 1 1 33 33 VAL N N 15 120.8 0.1 . 1 . . . . . . . . 5757 1 162 . 1 1 33 33 VAL CA C 13 59.6 0.1 . 1 . . . . . . . . 5757 1 163 . 1 1 33 33 VAL CB C 13 35.2 0.1 . 1 . . . . . . . . 5757 1 164 . 1 1 33 33 VAL CG1 C 13 22.2 0.1 . 2 . . . . . . . . 5757 1 165 . 1 1 33 33 VAL CG2 C 13 20.0 0.1 . 2 . . . . . . . . 5757 1 166 . 1 1 33 33 VAL C C 13 173.9 0.1 . 1 . . . . . . . . 5757 1 167 . 1 1 34 34 PHE N N 15 122.0 0.1 . 1 . . . . . . . . 5757 1 168 . 1 1 34 34 PHE CA C 13 55.0 0.1 . 1 . . . . . . . . 5757 1 169 . 1 1 34 34 PHE CB C 13 43.1 0.1 . 1 . . . . . . . . 5757 1 170 . 1 1 34 34 PHE CG C 13 138.7 0.1 . 1 . . . . . . . . 5757 1 171 . 1 1 34 34 PHE CD1 C 13 131.6 0.1 . 1 . . . . . . . . 5757 1 172 . 1 1 34 34 PHE CD2 C 13 131.6 0.1 . 1 . . . . . . . . 5757 1 173 . 1 1 34 34 PHE C C 13 174.9 0.1 . 1 . . . . . . . . 5757 1 174 . 1 1 35 35 LEU N N 15 117.7 0.1 . 1 . . . . . . . . 5757 1 175 . 1 1 35 35 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 5757 1 176 . 1 1 35 35 LEU CB C 13 46.3 0.1 . 1 . . . . . . . . 5757 1 177 . 1 1 35 35 LEU CG C 13 27.6 0.1 . 1 . . . . . . . . 5757 1 178 . 1 1 35 35 LEU CD1 C 13 24.2 0.1 . 2 . . . . . . . . 5757 1 179 . 1 1 35 35 LEU CD2 C 13 25.4 0.1 . 2 . . . . . . . . 5757 1 180 . 1 1 35 35 LEU C C 13 175.6 0.1 . 1 . . . . . . . . 5757 1 181 . 1 1 36 36 GLU N N 15 122.9 0.1 . 1 . . . . . . . . 5757 1 182 . 1 1 36 36 GLU CA C 13 53.8 0.1 . 1 . . . . . . . . 5757 1 183 . 1 1 36 36 GLU CB C 13 34.3 0.1 . 1 . . . . . . . . 5757 1 184 . 1 1 36 36 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 5757 1 185 . 1 1 36 36 GLU CD C 13 182.0 0.1 . 1 . . . . . . . . 5757 1 186 . 1 1 36 36 GLU C C 13 174.7 0.1 . 1 . . . . . . . . 5757 1 187 . 1 1 37 37 LYS N N 15 123.8 0.1 . 1 . . . . . . . . 5757 1 188 . 1 1 37 37 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 5757 1 189 . 1 1 37 37 LYS CB C 13 36.1 0.1 . 1 . . . . . . . . 5757 1 190 . 1 1 37 37 LYS CG C 13 25.0 0.1 . 1 . . . . . . . . 5757 1 191 . 1 1 37 37 LYS CD C 13 28.9 0.1 . 1 . . . . . . . . 5757 1 192 . 1 1 37 37 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5757 1 193 . 1 1 38 38 ASP N N 15 129.9 0.1 . 1 . . . . . . . . 5757 1 194 . 1 1 38 38 ASP CA C 13 55.4 0.1 . 1 . . . . . . . . 5757 1 195 . 1 1 38 38 ASP CB C 13 39.6 0.1 . 1 . . . . . . . . 5757 1 196 . 1 1 38 38 ASP CG C 13 180.9 0.1 . 1 . . . . . . . . 5757 1 197 . 1 1 38 38 ASP C C 13 175.5 0.1 . 1 . . . . . . . . 5757 1 198 . 1 1 39 39 GLY N N 15 105.0 0.1 . 1 . . . . . . . . 5757 1 199 . 1 1 39 39 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 5757 1 200 . 1 1 39 39 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 5757 1 201 . 1 1 40 40 LYS N N 15 122.6 0.1 . 1 . . . . . . . . 5757 1 202 . 1 1 40 40 LYS CA C 13 54.0 0.1 . 1 . . . . . . . . 5757 1 203 . 1 1 40 40 LYS CB C 13 33.3 0.1 . 1 . . . . . . . . 5757 1 204 . 1 1 40 40 LYS CG C 13 25.0 0.1 . 1 . . . . . . . . 5757 1 205 . 1 1 40 40 LYS CD C 13 28.9 0.1 . 1 . . . . . . . . 5757 1 206 . 1 1 40 40 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5757 1 207 . 1 1 41 41 LYS N N 15 126.0 0.1 . 1 . . . . . . . . 5757 1 208 . 1 1 41 41 LYS CA C 13 54.1 0.1 . 1 . . . . . . . . 5757 1 209 . 1 1 41 41 LYS CB C 13 35.4 0.1 . 1 . . . . . . . . 5757 1 210 . 1 1 41 41 LYS CG C 13 25.2 0.1 . 1 . . . . . . . . 5757 1 211 . 1 1 41 41 LYS CD C 13 28.9 0.1 . 1 . . . . . . . . 5757 1 212 . 1 1 41 41 LYS CE C 13 40.7 0.1 . 1 . . . . . . . . 5757 1 213 . 1 1 42 42 VAL N N 15 118.8 0.1 . 1 . . . . . . . . 5757 1 214 . 1 1 42 42 VAL CA C 13 57.9 0.1 . 1 . . . . . . . . 5757 1 215 . 1 1 42 42 VAL CB C 13 35.0 0.1 . 1 . . . . . . . . 5757 1 216 . 1 1 42 42 VAL CG1 C 13 18.4 0.1 . 2 . . . . . . . . 5757 1 217 . 1 1 42 42 VAL CG2 C 13 21.6 0.1 . 2 . . . . . . . . 5757 1 218 . 1 1 43 43 ASN N N 15 121.4 0.1 . 1 . . . . . . . . 5757 1 219 . 1 1 43 43 ASN CA C 13 53.0 0.1 . 1 . . . . . . . . 5757 1 220 . 1 1 43 43 ASN CB C 13 38.1 0.1 . 1 . . . . . . . . 5757 1 221 . 1 1 43 43 ASN CG C 13 176.7 0.1 . 1 . . . . . . . . 5757 1 222 . 1 1 43 43 ASN C C 13 174.9 0.1 . 1 . . . . . . . . 5757 1 223 . 1 1 43 43 ASN ND2 N 15 111.0 0.1 . 1 . . . . . . . . 5757 1 224 . 1 1 44 44 ALA N N 15 128.4 0.1 . 1 . . . . . . . . 5757 1 225 . 1 1 44 44 ALA CA C 13 51.8 0.1 . 1 . . . . . . . . 5757 1 226 . 1 1 44 44 ALA CB C 13 18.9 0.1 . 1 . . . . . . . . 5757 1 227 . 1 1 44 44 ALA C C 13 173.8 0.1 . 1 . . . . . . . . 5757 1 228 . 1 1 45 45 LYS N N 15 110.2 0.1 . 1 . . . . . . . . 5757 1 229 . 1 1 45 45 LYS CA C 13 55.6 0.1 . 1 . . . . . . . . 5757 1 230 . 1 1 45 45 LYS CB C 13 31.5 0.1 . 1 . . . . . . . . 5757 1 231 . 1 1 45 45 LYS CG C 13 27.4 0.1 . 1 . . . . . . . . 5757 1 232 . 1 1 45 45 LYS CD C 13 29.5 0.1 . 1 . . . . . . . . 5757 1 233 . 1 1 45 45 LYS CE C 13 42.8 0.1 . 1 . . . . . . . . 5757 1 234 . 1 1 45 45 LYS C C 13 175.5 0.1 . 1 . . . . . . . . 5757 1 235 . 1 1 46 46 SER N N 15 114.9 0.1 . 1 . . . . . . . . 5757 1 236 . 1 1 46 46 SER CA C 13 54.2 0.1 . 1 . . . . . . . . 5757 1 237 . 1 1 46 46 SER CB C 13 64.6 0.1 . 1 . . . . . . . . 5757 1 238 . 1 1 46 46 SER C C 13 174.4 0.1 . 1 . . . . . . . . 5757 1 239 . 1 1 47 47 ILE N N 15 131.0 0.1 . 1 . . . . . . . . 5757 1 240 . 1 1 47 47 ILE CA C 13 66.4 0.1 . 1 . . . . . . . . 5757 1 241 . 1 1 47 47 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . 5757 1 242 . 1 1 47 47 ILE CG1 C 13 30.4 0.1 . 1 . . . . . . . . 5757 1 243 . 1 1 47 47 ILE CG2 C 13 17.8 0.1 . 1 . . . . . . . . 5757 1 244 . 1 1 47 47 ILE CD1 C 13 14.1 0.1 . 1 . . . . . . . . 5757 1 245 . 1 1 47 47 ILE C C 13 178.0 0.1 . 1 . . . . . . . . 5757 1 246 . 1 1 48 48 MET N N 15 117.7 0.1 . 1 . . . . . . . . 5757 1 247 . 1 1 48 48 MET CA C 13 58.3 0.1 . 1 . . . . . . . . 5757 1 248 . 1 1 48 48 MET CB C 13 32.3 0.1 . 1 . . . . . . . . 5757 1 249 . 1 1 48 48 MET CG C 13 32.2 0.1 . 1 . . . . . . . . 5757 1 250 . 1 1 48 48 MET CE C 13 15.9 0.1 . 1 . . . . . . . . 5757 1 251 . 1 1 49 49 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 5757 1 252 . 1 1 49 49 GLY CA C 13 46.9 0.1 . 1 . . . . . . . . 5757 1 253 . 1 1 49 49 GLY C C 13 176.9 0.1 . 1 . . . . . . . . 5757 1 254 . 1 1 50 50 LEU N N 15 124.8 0.1 . 1 . . . . . . . . 5757 1 255 . 1 1 50 50 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 5757 1 256 . 1 1 50 50 LEU CB C 13 43.3 0.1 . 1 . . . . . . . . 5757 1 257 . 1 1 50 50 LEU C C 13 179.7 0.1 . 1 . . . . . . . . 5757 1 258 . 1 1 51 51 MET N N 15 114.3 0.1 . 1 . . . . . . . . 5757 1 259 . 1 1 51 51 MET CA C 13 59.1 0.1 . 1 . . . . . . . . 5757 1 260 . 1 1 51 51 MET CB C 13 33.6 0.1 . 1 . . . . . . . . 5757 1 261 . 1 1 51 51 MET CG C 13 33.5 0.1 . 1 . . . . . . . . 5757 1 262 . 1 1 51 51 MET CE C 13 15.8 0.1 . 1 . . . . . . . . 5757 1 263 . 1 1 52 52 SER N N 15 112.3 0.1 . 1 . . . . . . . . 5757 1 264 . 1 1 52 52 SER CA C 13 59.8 0.1 . 1 . . . . . . . . 5757 1 265 . 1 1 52 52 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 5757 1 266 . 1 1 52 52 SER C C 13 175.2 0.1 . 1 . . . . . . . . 5757 1 267 . 1 1 53 53 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 5757 1 268 . 1 1 53 53 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5757 1 269 . 1 1 53 53 LEU CB C 13 42.8 0.1 . 1 . . . . . . . . 5757 1 270 . 1 1 53 53 LEU CG C 13 26.1 0.1 . 1 . . . . . . . . 5757 1 271 . 1 1 53 53 LEU CD1 C 13 22.4 0.1 . 1 . . . . . . . . 5757 1 272 . 1 1 53 53 LEU CD2 C 13 22.4 0.1 . 1 . . . . . . . . 5757 1 273 . 1 1 54 54 ALA N N 15 131.2 0.1 . 1 . . . . . . . . 5757 1 274 . 1 1 54 54 ALA CA C 13 51.8 0.1 . 1 . . . . . . . . 5757 1 275 . 1 1 54 54 ALA CB C 13 17.1 0.1 . 1 . . . . . . . . 5757 1 276 . 1 1 54 54 ALA C C 13 176.8 0.1 . 1 . . . . . . . . 5757 1 277 . 1 1 55 55 VAL N N 15 121.2 0.1 . 1 . . . . . . . . 5757 1 278 . 1 1 55 55 VAL CA C 13 60.2 0.1 . 1 . . . . . . . . 5757 1 279 . 1 1 55 55 VAL CB C 13 37.1 0.1 . 1 . . . . . . . . 5757 1 280 . 1 1 55 55 VAL CG1 C 13 20.0 0.1 . 2 . . . . . . . . 5757 1 281 . 1 1 55 55 VAL CG2 C 13 22.9 0.1 . 2 . . . . . . . . 5757 1 282 . 1 1 55 55 VAL C C 13 180.9 0.1 . 1 . . . . . . . . 5757 1 283 . 1 1 56 56 SER N N 15 118.0 0.1 . 1 . . . . . . . . 5757 1 284 . 1 1 56 56 SER CA C 13 56.7 0.1 . 1 . . . . . . . . 5757 1 285 . 1 1 56 56 SER CB C 13 65.9 0.1 . 1 . . . . . . . . 5757 1 286 . 1 1 56 56 SER C C 13 173.5 0.1 . 1 . . . . . . . . 5757 1 287 . 1 1 57 57 THR N N 15 122.4 0.1 . 1 . . . . . . . . 5757 1 288 . 1 1 57 57 THR CA C 13 65.8 0.1 . 1 . . . . . . . . 5757 1 289 . 1 1 57 57 THR CB C 13 68.4 0.1 . 1 . . . . . . . . 5757 1 290 . 1 1 57 57 THR CG2 C 13 22.4 0.1 . 1 . . . . . . . . 5757 1 291 . 1 1 57 57 THR C C 13 175.8 0.1 . 1 . . . . . . . . 5757 1 292 . 1 1 58 58 GLY N N 15 117.1 0.1 . 1 . . . . . . . . 5757 1 293 . 1 1 58 58 GLY CA C 13 44.4 0.1 . 1 . . . . . . . . 5757 1 294 . 1 1 58 58 GLY C C 13 173.9 0.1 . 1 . . . . . . . . 5757 1 295 . 1 1 59 59 THR N N 15 117.2 0.1 . 1 . . . . . . . . 5757 1 296 . 1 1 59 59 THR CA C 13 63.0 0.1 . 1 . . . . . . . . 5757 1 297 . 1 1 59 59 THR CB C 13 68.8 0.1 . 1 . . . . . . . . 5757 1 298 . 1 1 59 59 THR CG2 C 13 22.4 0.1 . 1 . . . . . . . . 5757 1 299 . 1 1 59 59 THR C C 13 172.4 0.1 . 1 . . . . . . . . 5757 1 300 . 1 1 60 60 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 5757 1 301 . 1 1 60 60 GLU CA C 13 54.3 0.1 . 1 . . . . . . . . 5757 1 302 . 1 1 60 60 GLU CB C 13 32.7 0.1 . 1 . . . . . . . . 5757 1 303 . 1 1 60 60 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 5757 1 304 . 1 1 60 60 GLU CD C 13 183.2 0.1 . 1 . . . . . . . . 5757 1 305 . 1 1 61 61 VAL N N 15 118.9 0.1 . 1 . . . . . . . . 5757 1 306 . 1 1 61 61 VAL CA C 13 58.4 0.1 . 1 . . . . . . . . 5757 1 307 . 1 1 61 61 VAL CB C 13 34.8 0.1 . 1 . . . . . . . . 5757 1 308 . 1 1 61 61 VAL CG1 C 13 22.9 0.1 . 2 . . . . . . . . 5757 1 309 . 1 1 61 61 VAL CG2 C 13 19.8 0.1 . 2 . . . . . . . . 5757 1 310 . 1 1 62 62 THR N N 15 117.2 0.1 . 1 . . . . . . . . 5757 1 311 . 1 1 62 62 THR CA C 13 62.6 0.1 . 1 . . . . . . . . 5757 1 312 . 1 1 62 62 THR CB C 13 69.1 0.1 . 1 . . . . . . . . 5757 1 313 . 1 1 62 62 THR CG2 C 13 22.5 0.1 . 1 . . . . . . . . 5757 1 314 . 1 1 62 62 THR C C 13 172.6 0.1 . 1 . . . . . . . . 5757 1 315 . 1 1 63 63 LEU N N 15 131.0 0.1 . 1 . . . . . . . . 5757 1 316 . 1 1 63 63 LEU CA C 13 53.8 0.1 . 1 . . . . . . . . 5757 1 317 . 1 1 63 63 LEU CB C 13 45.0 0.1 . 1 . . . . . . . . 5757 1 318 . 1 1 63 63 LEU CG C 13 27.6 0.1 . 1 . . . . . . . . 5757 1 319 . 1 1 63 63 LEU CD1 C 13 24.2 0.1 . 1 . . . . . . . . 5757 1 320 . 1 1 63 63 LEU CD2 C 13 24.2 0.1 . 1 . . . . . . . . 5757 1 321 . 1 1 64 64 ILE N N 15 125.8 0.1 . 1 . . . . . . . . 5757 1 322 . 1 1 64 64 ILE CA C 13 59.8 0.1 . 1 . . . . . . . . 5757 1 323 . 1 1 64 64 ILE CB C 13 42.6 0.1 . 1 . . . . . . . . 5757 1 324 . 1 1 64 64 ILE CG1 C 13 28.0 0.1 . 1 . . . . . . . . 5757 1 325 . 1 1 64 64 ILE CG2 C 13 17.8 0.1 . 1 . . . . . . . . 5757 1 326 . 1 1 64 64 ILE CD1 C 13 15.0 0.1 . 1 . . . . . . . . 5757 1 327 . 1 1 64 64 ILE C C 13 173.9 0.1 . 1 . . . . . . . . 5757 1 328 . 1 1 65 65 ALA N N 15 126.4 0.1 . 1 . . . . . . . . 5757 1 329 . 1 1 65 65 ALA CA C 13 50.0 0.1 . 1 . . . . . . . . 5757 1 330 . 1 1 65 65 ALA CB C 13 23.0 0.1 . 1 . . . . . . . . 5757 1 331 . 1 1 65 65 ALA C C 13 175.9 0.1 . 1 . . . . . . . . 5757 1 332 . 1 1 66 66 GLN N N 15 120.1 0.1 . 1 . . . . . . . . 5757 1 333 . 1 1 66 66 GLN CA C 13 53.7 0.1 . 1 . . . . . . . . 5757 1 334 . 1 1 66 66 GLN CB C 13 32.1 0.1 . 1 . . . . . . . . 5757 1 335 . 1 1 66 66 GLN CG C 13 33.4 0.1 . 1 . . . . . . . . 5757 1 336 . 1 1 66 66 GLN CD C 13 179.1 0.1 . 1 . . . . . . . . 5757 1 337 . 1 1 66 66 GLN C C 13 174.2 0.1 . 1 . . . . . . . . 5757 1 338 . 1 1 67 67 GLY N N 15 119.5 0.1 . 1 . . . . . . . . 5757 1 339 . 1 1 67 67 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5757 1 340 . 1 1 67 67 GLY C C 13 174.9 0.1 . 1 . . . . . . . . 5757 1 341 . 1 1 68 68 GLU N N 15 118.7 0.1 . 1 . . . . . . . . 5757 1 342 . 1 1 68 68 GLU CA C 13 59.2 0.1 . 1 . . . . . . . . 5757 1 343 . 1 1 68 68 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 5757 1 344 . 1 1 68 68 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5757 1 345 . 1 1 68 68 GLU CD C 13 183.3 0.1 . 1 . . . . . . . . 5757 1 346 . 1 1 69 69 ASP N N 15 114.8 0.1 . 1 . . . . . . . . 5757 1 347 . 1 1 69 69 ASP CA C 13 51.1 0.1 . 1 . . . . . . . . 5757 1 348 . 1 1 69 69 ASP CB C 13 39.4 0.1 . 1 . . . . . . . . 5757 1 349 . 1 1 69 69 ASP CG C 13 179.6 0.1 . 1 . . . . . . . . 5757 1 350 . 1 1 69 69 ASP C C 13 176.2 0.1 . 1 . . . . . . . . 5757 1 351 . 1 1 70 70 GLU N N 15 116.3 0.1 . 1 . . . . . . . . 5757 1 352 . 1 1 70 70 GLU CA C 13 57.4 0.1 . 1 . . . . . . . . 5757 1 353 . 1 1 70 70 GLU CB C 13 27.2 0.1 . 1 . . . . . . . . 5757 1 354 . 1 1 70 70 GLU CG C 13 36.9 0.1 . 1 . . . . . . . . 5757 1 355 . 1 1 70 70 GLU CD C 13 184.5 0.1 . 1 . . . . . . . . 5757 1 356 . 1 1 70 70 GLU C C 13 175.1 0.1 . 1 . . . . . . . . 5757 1 357 . 1 1 71 71 GLN N N 15 121.4 0.1 . 1 . . . . . . . . 5757 1 358 . 1 1 71 71 GLN CA C 13 59.5 0.1 . 1 . . . . . . . . 5757 1 359 . 1 1 71 71 GLN CB C 13 27.7 0.1 . 1 . . . . . . . . 5757 1 360 . 1 1 71 71 GLN CG C 13 33.8 0.1 . 1 . . . . . . . . 5757 1 361 . 1 1 71 71 GLN CD C 13 179.7 0.1 . 1 . . . . . . . . 5757 1 362 . 1 1 72 72 GLU N N 15 117.1 0.1 . 1 . . . . . . . . 5757 1 363 . 1 1 72 72 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5757 1 364 . 1 1 72 72 GLU CB C 13 26.8 0.1 . 1 . . . . . . . . 5757 1 365 . 1 1 72 72 GLU CG C 13 34.2 0.1 . 1 . . . . . . . . 5757 1 366 . 1 1 72 72 GLU CD C 13 183.2 0.1 . 1 . . . . . . . . 5757 1 367 . 1 1 73 73 ALA N N 15 122.4 0.1 . 1 . . . . . . . . 5757 1 368 . 1 1 73 73 ALA CA C 13 53.5 0.1 . 1 . . . . . . . . 5757 1 369 . 1 1 73 73 ALA CB C 13 17.9 0.1 . 1 . . . . . . . . 5757 1 370 . 1 1 73 73 ALA C C 13 178.7 0.1 . 1 . . . . . . . . 5757 1 371 . 1 1 74 74 LEU N N 15 116.5 0.1 . 1 . . . . . . . . 5757 1 372 . 1 1 74 74 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 5757 1 373 . 1 1 74 74 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 5757 1 374 . 1 1 74 74 LEU CG C 13 26.0 0.1 . 1 . . . . . . . . 5757 1 375 . 1 1 74 74 LEU CD1 C 13 24.3 0.1 . 1 . . . . . . . . 5757 1 376 . 1 1 74 74 LEU CD2 C 13 24.3 0.1 . 1 . . . . . . . . 5757 1 377 . 1 1 75 75 GLU N N 15 116.9 0.1 . 1 . . . . . . . . 5757 1 378 . 1 1 75 75 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 5757 1 379 . 1 1 75 75 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5757 1 380 . 1 1 75 75 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5757 1 381 . 1 1 75 75 GLU CD C 13 182.6 0.1 . 1 . . . . . . . . 5757 1 382 . 1 1 75 75 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 5757 1 383 . 1 1 76 76 LYS N N 15 118.9 0.1 . 1 . . . . . . . . 5757 1 384 . 1 1 76 76 LYS CA C 13 59.0 0.1 . 1 . . . . . . . . 5757 1 385 . 1 1 76 76 LYS CB C 13 32.2 0.1 . 1 . . . . . . . . 5757 1 386 . 1 1 76 76 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5757 1 387 . 1 1 76 76 LYS CD C 13 28.6 0.1 . 1 . . . . . . . . 5757 1 388 . 1 1 76 76 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5757 1 389 . 1 1 77 77 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 5757 1 390 . 1 1 77 77 LEU CA C 13 57.5 0.1 . 1 . . . . . . . . 5757 1 391 . 1 1 77 77 LEU CB C 13 40.9 0.1 . 1 . . . . . . . . 5757 1 392 . 1 1 77 77 LEU CG C 13 26.8 0.1 . 1 . . . . . . . . 5757 1 393 . 1 1 77 77 LEU CD1 C 13 22.5 0.1 . 1 . . . . . . . . 5757 1 394 . 1 1 77 77 LEU CD2 C 13 22.5 0.1 . 1 . . . . . . . . 5757 1 395 . 1 1 77 77 LEU C C 13 179.1 0.1 . 1 . . . . . . . . 5757 1 396 . 1 1 78 78 ALA N N 15 121.1 0.1 . 1 . . . . . . . . 5757 1 397 . 1 1 78 78 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 5757 1 398 . 1 1 78 78 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . 5757 1 399 . 1 1 78 78 ALA C C 13 181.5 0.1 . 1 . . . . . . . . 5757 1 400 . 1 1 79 79 ALA N N 15 120.1 0.1 . 1 . . . . . . . . 5757 1 401 . 1 1 79 79 ALA CA C 13 55.6 0.1 . 1 . . . . . . . . 5757 1 402 . 1 1 79 79 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 5757 1 403 . 1 1 79 79 ALA C C 13 180.9 0.1 . 1 . . . . . . . . 5757 1 404 . 1 1 80 80 TYR N N 15 116.8 0.1 . 1 . . . . . . . . 5757 1 405 . 1 1 80 80 TYR CA C 13 61.3 0.1 . 1 . . . . . . . . 5757 1 406 . 1 1 80 80 TYR CB C 13 38.0 0.1 . 1 . . . . . . . . 5757 1 407 . 1 1 80 80 TYR CG C 13 129.7 0.1 . 1 . . . . . . . . 5757 1 408 . 1 1 80 80 TYR CD1 C 13 132.8 0.1 . 1 . . . . . . . . 5757 1 409 . 1 1 80 80 TYR CD2 C 13 132.8 0.1 . 1 . . . . . . . . 5757 1 410 . 1 1 80 80 TYR CE1 C 13 118.2 0.1 . 1 . . . . . . . . 5757 1 411 . 1 1 80 80 TYR CE2 C 13 118.2 0.1 . 1 . . . . . . . . 5757 1 412 . 1 1 80 80 TYR CZ C 13 157.3 0.1 . 1 . . . . . . . . 5757 1 413 . 1 1 80 80 TYR C C 13 176.8 0.1 . 1 . . . . . . . . 5757 1 414 . 1 1 81 81 VAL N N 15 117.8 0.1 . 1 . . . . . . . . 5757 1 415 . 1 1 81 81 VAL CA C 13 64.6 0.1 . 1 . . . . . . . . 5757 1 416 . 1 1 81 81 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 5757 1 417 . 1 1 81 81 VAL CG1 C 13 22.1 0.1 . 2 . . . . . . . . 5757 1 418 . 1 1 81 81 VAL CG2 C 13 23.5 0.1 . 2 . . . . . . . . 5757 1 419 . 1 1 81 81 VAL C C 13 174.6 0.1 . 1 . . . . . . . . 5757 1 420 . 1 1 82 82 GLN N N 15 113.4 0.1 . 1 . . . . . . . . 5757 1 421 . 1 1 82 82 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 5757 1 422 . 1 1 82 82 GLN CB C 13 29.9 0.1 . 1 . . . . . . . . 5757 1 423 . 1 1 82 82 GLN CG C 13 35.1 0.1 . 1 . . . . . . . . 5757 1 424 . 1 1 82 82 GLN CD C 13 179.0 0.1 . 1 . . . . . . . . 5757 1 425 . 1 1 83 83 GLU N N 15 114.9 0.1 . 1 . . . . . . . . 5757 1 426 . 1 1 83 83 GLU CA C 13 55.7 0.1 . 1 . . . . . . . . 5757 1 427 . 1 1 83 83 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 5757 1 428 . 1 1 83 83 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5757 1 429 . 1 1 83 83 GLU CD C 13 181.7 0.1 . 1 . . . . . . . . 5757 1 430 . 1 1 84 84 GLU N N 15 114.9 0.1 . 1 . . . . . . . . 5757 1 431 . 1 1 84 84 GLU CA C 13 55.3 0.1 . 1 . . . . . . . . 5757 1 432 . 1 1 84 84 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5757 1 433 . 1 1 84 84 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5757 1 434 . 1 1 84 84 GLU CD C 13 181.7 0.1 . 1 . . . . . . . . 5757 1 435 . 1 1 85 85 VAL N N 15 93.4 0.1 . 1 . . . . . . . . 5757 1 436 . 1 1 85 85 VAL CA C 13 60.6 0.1 . 1 . . . . . . . . 5757 1 437 . 1 1 85 85 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 5757 1 438 . 1 1 85 85 VAL CG2 C 13 19.3 0.1 . 2 . . . . . . . . 5757 1 439 . 1 1 85 85 VAL CG1 C 13 21.3 0.1 . 2 . . . . . . . . 5757 1 440 . 1 1 85 85 VAL C C 13 171.1 0.1 . 1 . . . . . . . . 5757 1 stop_ save_ ################################### # 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_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5757 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; Peak doubling has been observed for a limited number of signals, indicating conformational or dynamic disorder. The minor signals are reported in this list. ; _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 $sample_1 . 5757 2 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 10 10 LEU CA C 13 53.1 0.1 . 1 . . . . . . . . 5757 2 2 . 1 1 10 10 LEU CB C 13 42.6 0.1 . 1 . . . . . . . . 5757 2 3 . 1 1 12 12 THR N N 15 111.0 0.1 . 1 . . . . . . . . 5757 2 4 . 1 1 18 18 PRO C C 13 178.8 0.1 . 1 . . . . . . . . 5757 2 5 . 1 1 38 38 ASP CB C 13 40.0 0.1 . 1 . . . . . . . . 5757 2 6 . 1 1 38 38 ASP CG C 13 181.7 0.1 . 1 . . . . . . . . 5757 2 7 . 1 1 49 49 GLY N N 15 109.5 0.1 . 1 . . . . . . . . 5757 2 8 . 1 1 52 52 SER N N 15 113.1 0.1 . 1 . . . . . . . . 5757 2 9 . 1 1 54 54 ALA C C 13 175.7 0.1 . 1 . . . . . . . . 5757 2 10 . 1 1 67 67 GLY N N 15 117.1 0.1 . 1 . . . . . . . . 5757 2 stop_ save_