################################### # 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 26910 _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 1 '2D DARR' . . . 26910 1 2 '3D NCACX' . . . 26910 1 3 '3D NCOCX' . . . 26910 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 1 1 ALA C C 13 174.7 0.2 . 1 . . . . 1 ALA C . 26910 1 2 . 1 1 1 1 ALA CA C 13 51.9 0.2 . 1 . . . . 1 ALA CA . 26910 1 3 . 1 1 1 1 ALA CB C 13 18.9 0.1 . 1 . . . . 1 ALA CB . 26910 1 4 . 1 1 2 2 GLU CA C 13 57.7 0.1 . 1 . . . . 2 GLU CA . 26910 1 5 . 1 1 2 2 GLU CB C 13 29.9 0.1 . 1 . . . . 2 GLU CB . 26910 1 6 . 1 1 2 2 GLU CG C 13 36.1 0.2 . 1 . . . . 2 GLU CG . 26910 1 7 . 1 1 2 2 GLU CD C 13 184.1 0.1 . 1 . . . . 2 GLU CD . 26910 1 8 . 1 1 3 3 GLY C C 13 174.2 0.1 . 1 . . . . 3 GLY C . 26910 1 9 . 1 1 3 3 GLY CA C 13 45.3 0.1 . 1 . . . . 3 GLY CA . 26910 1 10 . 1 1 3 3 GLY N N 15 111.2 0.2 . 1 . . . . 3 GLY N . 26910 1 11 . 1 1 4 4 ASP C C 13 175.9 0.1 . 1 . . . . 4 ASP C . 26910 1 12 . 1 1 4 4 ASP CA C 13 54.4 0.1 . 1 . . . . 4 ASP CA . 26910 1 13 . 1 1 4 4 ASP CB C 13 41.3 0.1 . 1 . . . . 4 ASP CB . 26910 1 14 . 1 1 4 4 ASP CG C 13 180.1 0.1 . 1 . . . . 4 ASP CG . 26910 1 15 . 1 1 4 4 ASP N N 15 120.3 0.2 . 1 . . . . 4 ASP N . 26910 1 16 . 1 1 5 5 ASP C C 13 174.6 0.1 . 1 . . . . 5 ASP C . 26910 1 17 . 1 1 5 5 ASP CA C 13 51.9 0.1 . 1 . . . . 5 ASP CA . 26910 1 18 . 1 1 5 5 ASP CB C 13 41.5 0.1 . 1 . . . . 5 ASP CB . 26910 1 19 . 1 1 5 5 ASP CG C 13 180.1 0.1 . 1 . . . . 5 ASP CG . 26910 1 20 . 1 1 5 5 ASP N N 15 121.5 0.1 . 1 . . . . 5 ASP N . 26910 1 21 . 1 1 6 6 PRO C C 13 178.5 0.1 . 1 . . . . 6 PRO C . 26910 1 22 . 1 1 6 6 PRO CA C 13 64.1 0.1 . 1 . . . . 6 PRO CA . 26910 1 23 . 1 1 6 6 PRO CB C 13 31.5 0.1 . 1 . . . . 6 PRO CB . 26910 1 24 . 1 1 6 6 PRO CG C 13 26.3 0.1 . 1 . . . . 6 PRO CG . 26910 1 25 . 1 1 6 6 PRO CD C 13 50.5 0.1 . 1 . . . . 6 PRO CD . 26910 1 26 . 1 1 6 6 PRO N N 15 138.2 0.1 . 1 . . . . 6 PRO N . 26910 1 27 . 1 1 7 7 ALA C C 13 179.1 0.1 . 1 . . . . 7 ALA C . 26910 1 28 . 1 1 7 7 ALA CA C 13 54.9 0.1 . 1 . . . . 7 ALA CA . 26910 1 29 . 1 1 7 7 ALA CB C 13 18.8 0.1 . 1 . . . . 7 ALA CB . 26910 1 30 . 1 1 7 7 ALA N N 15 119.5 0.1 . 1 . . . . 7 ALA N . 26910 1 31 . 1 1 8 8 LYS C C 13 178.3 0.1 . 1 . . . . 8 LYS C . 26910 1 32 . 1 1 8 8 LYS CA C 13 59.8 0.1 . 1 . . . . 8 LYS CA . 26910 1 33 . 1 1 8 8 LYS CB C 13 32.5 0.1 . 1 . . . . 8 LYS CB . 26910 1 34 . 1 1 8 8 LYS CG C 13 24.8 0.1 . 1 . . . . 8 LYS CG . 26910 1 35 . 1 1 8 8 LYS CD C 13 28.7 0.1 . 1 . . . . 8 LYS CD . 26910 1 36 . 1 1 8 8 LYS CE C 13 42.6 0.1 . 1 . . . . 8 LYS CE . 26910 1 37 . 1 1 8 8 LYS N N 15 119.3 0.1 . 1 . . . . 8 LYS N . 26910 1 38 . 1 1 8 8 LYS NZ N 15 35.5 0.2 . 1 . . . . 8 LYS NZ . 26910 1 39 . 1 1 9 9 ALA C C 13 180.7 0.1 . 1 . . . . 9 ALA C . 26910 1 40 . 1 1 9 9 ALA CA C 13 54.6 0.1 . 1 . . . . 9 ALA CA . 26910 1 41 . 1 1 9 9 ALA CB C 13 18.1 0.1 . 1 . . . . 9 ALA CB . 26910 1 42 . 1 1 9 9 ALA N N 15 119.3 0.1 . 1 . . . . 9 ALA N . 26910 1 43 . 1 1 10 10 ALA C C 13 180.6 0.1 . 1 . . . . 10 ALA C . 26910 1 44 . 1 1 10 10 ALA CA C 13 54.9 0.1 . 1 . . . . 10 ALA CA . 26910 1 45 . 1 1 10 10 ALA CB C 13 20.5 0.1 . 1 . . . . 10 ALA CB . 26910 1 46 . 1 1 10 10 ALA N N 15 121.1 0.1 . 1 . . . . 10 ALA N . 26910 1 47 . 1 1 11 11 PHE C C 13 178.9 0.1 . 1 . . . . 11 PHE C . 26910 1 48 . 1 1 11 11 PHE CA C 13 63.8 0.1 . 1 . . . . 11 PHE CA . 26910 1 49 . 1 1 11 11 PHE CB C 13 38.1 0.1 . 1 . . . . 11 PHE CB . 26910 1 50 . 1 1 11 11 PHE CG C 13 141.3 0.1 . 1 . . . . 11 PHE CG . 26910 1 51 . 1 1 11 11 PHE CD1 C 13 130.6 0.1 . 3 . . . . 11 PHE CD1 . 26910 1 52 . 1 1 11 11 PHE CD2 C 13 130.6 0.1 . 3 . . . . 11 PHE CD2 . 26910 1 53 . 1 1 11 11 PHE N N 15 118.9 0.2 . 1 . . . . 11 PHE N . 26910 1 54 . 1 1 12 12 ASP C C 13 179.9 0.1 . 1 . . . . 12 ASP C . 26910 1 55 . 1 1 12 12 ASP CA C 13 57.9 0.1 . 1 . . . . 12 ASP CA . 26910 1 56 . 1 1 12 12 ASP CB C 13 40.1 0.1 . 1 . . . . 12 ASP CB . 26910 1 57 . 1 1 12 12 ASP CG C 13 178.9 0.1 . 1 . . . . 12 ASP CG . 26910 1 58 . 1 1 12 12 ASP N N 15 119.2 0.1 . 1 . . . . 12 ASP N . 26910 1 59 . 1 1 13 13 SER C C 13 177.6 0.1 . 1 . . . . 13 SER C . 26910 1 60 . 1 1 13 13 SER CA C 13 61.7 0.1 . 1 . . . . 13 SER CA . 26910 1 61 . 1 1 13 13 SER CB C 13 62.9 0.1 . 1 . . . . 13 SER CB . 26910 1 62 . 1 1 13 13 SER N N 15 116.2 0.1 . 1 . . . . 13 SER N . 26910 1 63 . 1 1 14 14 LEU C C 13 179.7 0.1 . 1 . . . . 14 LEU C . 26910 1 64 . 1 1 14 14 LEU CA C 13 57.9 0.1 . 1 . . . . 14 LEU CA . 26910 1 65 . 1 1 14 14 LEU CB C 13 42.5 0.1 . 1 . . . . 14 LEU CB . 26910 1 66 . 1 1 14 14 LEU CG C 13 27.6 0.1 . 1 . . . . 14 LEU CG . 26910 1 67 . 1 1 14 14 LEU CD1 C 13 24.3 0.1 . 2 . . . . 14 LEU CD1 . 26910 1 68 . 1 1 14 14 LEU CD2 C 13 24.3 0.1 . 2 . . . . 14 LEU CD2 . 26910 1 69 . 1 1 14 14 LEU N N 15 124.6 0.1 . 1 . . . . 14 LEU N . 26910 1 70 . 1 1 15 15 GLN C C 13 179.2 0.1 . 1 . . . . 15 GLN C . 26910 1 71 . 1 1 15 15 GLN CA C 13 60.2 0.1 . 1 . . . . 15 GLN CA . 26910 1 72 . 1 1 15 15 GLN CB C 13 28.5 0.1 . 1 . . . . 15 GLN CB . 26910 1 73 . 1 1 15 15 GLN CG C 13 34.2 0.1 . 1 . . . . 15 GLN CG . 26910 1 74 . 1 1 15 15 GLN CD C 13 178.1 0.1 . 1 . . . . 15 GLN CD . 26910 1 75 . 1 1 15 15 GLN N N 15 120.9 0.1 . 1 . . . . 15 GLN N . 26910 1 76 . 1 1 15 15 GLN NE2 N 15 108.0 0.1 . 1 . . . . 15 GLN NE2 . 26910 1 77 . 1 1 16 16 ALA C C 13 180.8 0.1 . 1 . . . . 16 ALA C . 26910 1 78 . 1 1 16 16 ALA CA C 13 55.5 0.1 . 1 . . . . 16 ALA CA . 26910 1 79 . 1 1 16 16 ALA CB C 13 17.9 0.1 . 1 . . . . 16 ALA CB . 26910 1 80 . 1 1 16 16 ALA N N 15 123.6 0.1 . 1 . . . . 16 ALA N . 26910 1 81 . 1 1 17 17 SER C C 13 177.5 0.1 . 1 . . . . 17 SER C . 26910 1 82 . 1 1 17 17 SER CA C 13 62.0 0.1 . 1 . . . . 17 SER CA . 26910 1 83 . 1 1 17 17 SER CB C 13 62.8 0.1 . 1 . . . . 17 SER CB . 26910 1 84 . 1 1 17 17 SER N N 15 115.8 0.1 . 1 . . . . 17 SER N . 26910 1 85 . 1 1 18 18 ALA C C 13 178.9 0.1 . 1 . . . . 18 ALA C . 26910 1 86 . 1 1 18 18 ALA CA C 13 55.6 0.1 . 1 . . . . 18 ALA CA . 26910 1 87 . 1 1 18 18 ALA CB C 13 17.8 0.1 . 1 . . . . 18 ALA CB . 26910 1 88 . 1 1 18 18 ALA N N 15 124.1 0.1 . 1 . . . . 18 ALA N . 26910 1 89 . 1 1 19 19 THR C C 13 177.5 0.1 . 1 . . . . 19 THR C . 26910 1 90 . 1 1 19 19 THR CA C 13 67.3 0.1 . 1 . . . . 19 THR CA . 26910 1 91 . 1 1 19 19 THR CB C 13 68.7 0.1 . 1 . . . . 19 THR CB . 26910 1 92 . 1 1 19 19 THR CG2 C 13 21.6 0.1 . 1 . . . . 19 THR CG2 . 26910 1 93 . 1 1 19 19 THR N N 15 113.0 0.1 . 1 . . . . 19 THR N . 26910 1 94 . 1 1 20 20 GLU C C 13 178.7 0.1 . 1 . . . . 20 GLU C . 26910 1 95 . 1 1 20 20 GLU CA C 13 59.0 0.1 . 1 . . . . 20 GLU CA . 26910 1 96 . 1 1 20 20 GLU CB C 13 29.1 0.1 . 1 . . . . 20 GLU CB . 26910 1 97 . 1 1 20 20 GLU CG C 13 36.2 0.1 . 1 . . . . 20 GLU CG . 26910 1 98 . 1 1 20 20 GLU CD C 13 183.6 0.1 . 1 . . . . 20 GLU CD . 26910 1 99 . 1 1 20 20 GLU N N 15 122.9 0.1 . 1 . . . . 20 GLU N . 26910 1 100 . 1 1 21 21 MET C C 13 177.9 0.2 . 1 . . . . 21 MET C . 26910 1 101 . 1 1 21 21 MET CA C 13 59.2 0.1 . 1 . . . . 21 MET CA . 26910 1 102 . 1 1 21 21 MET CB C 13 33.3 0.1 . 1 . . . . 21 MET CB . 26910 1 103 . 1 1 21 21 MET CE C 13 17.9 0.1 . 1 . . . . 21 MET CE . 26910 1 104 . 1 1 21 21 MET N N 15 118.3 0.1 . 1 . . . . 21 MET N . 26910 1 105 . 1 1 22 22 ILE C C 13 177.9 0.1 . 1 . . . . 22 ILE C . 26910 1 106 . 1 1 22 22 ILE CA C 13 65.4 0.1 . 1 . . . . 22 ILE CA . 26910 1 107 . 1 1 22 22 ILE CB C 13 38.4 0.1 . 1 . . . . 22 ILE CB . 26910 1 108 . 1 1 22 22 ILE CG1 C 13 31.0 0.1 . 1 . . . . 22 ILE CG1 . 26910 1 109 . 1 1 22 22 ILE CG2 C 13 18.3 0.1 . 1 . . . . 22 ILE CG2 . 26910 1 110 . 1 1 22 22 ILE CD1 C 13 15.5 0.1 . 1 . . . . 22 ILE CD1 . 26910 1 111 . 1 1 22 22 ILE N N 15 119.8 0.1 . 1 . . . . 22 ILE N . 26910 1 112 . 1 1 23 23 GLY C C 13 177.7 0.1 . 1 . . . . 23 GLY C . 26910 1 113 . 1 1 23 23 GLY CA C 13 47.3 0.1 . 1 . . . . 23 GLY CA . 26910 1 114 . 1 1 23 23 GLY N N 15 106.4 0.1 . 1 . . . . 23 GLY N . 26910 1 115 . 1 1 24 24 TYR C C 13 179.0 0.1 . 1 . . . . 24 TYR C . 26910 1 116 . 1 1 24 24 TYR CA C 13 57.4 0.1 . 1 . . . . 24 TYR CA . 26910 1 117 . 1 1 24 24 TYR CB C 13 34.9 0.1 . 1 . . . . 24 TYR CB . 26910 1 118 . 1 1 24 24 TYR CG C 13 129.1 0.1 . 1 . . . . 24 TYR CG . 26910 1 119 . 1 1 24 24 TYR CD1 C 13 132.4 0.1 . 3 . . . . 24 TYR CD1 . 26910 1 120 . 1 1 24 24 TYR CD2 C 13 132.4 0.1 . 3 . . . . 24 TYR CD2 . 26910 1 121 . 1 1 24 24 TYR CE1 C 13 117.7 0.1 . 3 . . . . 24 TYR CE1 . 26910 1 122 . 1 1 24 24 TYR CE2 C 13 117.7 0.2 . 3 . . . . 24 TYR CE2 . 26910 1 123 . 1 1 24 24 TYR CZ C 13 157.5 0.1 . 1 . . . . 24 TYR CZ . 26910 1 124 . 1 1 24 24 TYR N N 15 122.4 0.1 . 1 . . . . 24 TYR N . 26910 1 125 . 1 1 25 25 ALA C C 13 179.8 0.1 . 1 . . . . 25 ALA C . 26910 1 126 . 1 1 25 25 ALA CA C 13 55.1 0.1 . 1 . . . . 25 ALA CA . 26910 1 127 . 1 1 25 25 ALA CB C 13 18.3 0.1 . 1 . . . . 25 ALA CB . 26910 1 128 . 1 1 25 25 ALA N N 15 123.2 0.2 . 1 . . . . 25 ALA N . 26910 1 129 . 1 1 26 26 TRP C C 13 178.8 0.1 . 1 . . . . 26 TRP C . 26910 1 130 . 1 1 26 26 TRP CA C 13 60.9 0.1 . 1 . . . . 26 TRP CA . 26910 1 131 . 1 1 26 26 TRP CB C 13 29.4 0.1 . 1 . . . . 26 TRP CB . 26910 1 132 . 1 1 26 26 TRP CG C 13 113.6 0.1 . 1 . . . . 26 TRP CG . 26910 1 133 . 1 1 26 26 TRP CD1 C 13 127.7 0.2 . 1 . . . . 26 TRP CD1 . 26910 1 134 . 1 1 26 26 TRP CD2 C 13 129.2 0.1 . 1 . . . . 26 TRP CD2 . 26910 1 135 . 1 1 26 26 TRP CE2 C 13 139.9 0.1 . 1 . . . . 26 TRP CE2 . 26910 1 136 . 1 1 26 26 TRP CE3 C 13 120.8 0.1 . 1 . . . . 26 TRP CE3 . 26910 1 137 . 1 1 26 26 TRP CZ2 C 13 114.0 0.2 . 1 . . . . 26 TRP CZ2 . 26910 1 138 . 1 1 26 26 TRP CZ3 C 13 119.8 0.1 . 1 . . . . 26 TRP CZ3 . 26910 1 139 . 1 1 26 26 TRP N N 15 118.1 0.1 . 1 . . . . 26 TRP N . 26910 1 140 . 1 1 26 26 TRP NE1 N 15 125.9 0.1 . 1 . . . . 26 TRP NE1 . 26910 1 141 . 1 1 27 27 ALA C C 13 180.3 0.1 . 1 . . . . 27 ALA C . 26910 1 142 . 1 1 27 27 ALA CA C 13 55.2 0.1 . 1 . . . . 27 ALA CA . 26910 1 143 . 1 1 27 27 ALA CB C 13 17.9 0.1 . 1 . . . . 27 ALA CB . 26910 1 144 . 1 1 27 27 ALA N N 15 120.1 0.1 . 1 . . . . 27 ALA N . 26910 1 145 . 1 1 28 28 MET C C 13 178.2 0.1 . 1 . . . . 28 MET C . 26910 1 146 . 1 1 28 28 MET CA C 13 59.5 0.1 . 1 . . . . 28 MET CA . 26910 1 147 . 1 1 28 28 MET CB C 13 33.5 0.1 . 1 . . . . 28 MET CB . 26910 1 148 . 1 1 28 28 MET CE C 13 17.9 0.2 . 1 . . . . 28 MET CE . 26910 1 149 . 1 1 28 28 MET N N 15 117.8 0.1 . 1 . . . . 28 MET N . 26910 1 150 . 1 1 29 29 VAL C C 13 177.9 0.1 . 1 . . . . 29 VAL C . 26910 1 151 . 1 1 29 29 VAL CA C 13 65.3 0.1 . 1 . . . . 29 VAL CA . 26910 1 152 . 1 1 29 29 VAL CB C 13 31.5 0.1 . 1 . . . . 29 VAL CB . 26910 1 153 . 1 1 29 29 VAL CG1 C 13 24.1 0.1 . 2 . . . . 29 VAL CG1 . 26910 1 154 . 1 1 29 29 VAL CG2 C 13 21.6 0.1 . 2 . . . . 29 VAL CG2 . 26910 1 155 . 1 1 29 29 VAL N N 15 120.6 0.1 . 1 . . . . 29 VAL N . 26910 1 156 . 1 1 30 30 VAL C C 13 179.8 0.1 . 1 . . . . 30 VAL C . 26910 1 157 . 1 1 30 30 VAL CA C 13 67.2 0.1 . 1 . . . . 30 VAL CA . 26910 1 158 . 1 1 30 30 VAL CB C 13 31.8 0.1 . 1 . . . . 30 VAL CB . 26910 1 159 . 1 1 30 30 VAL CG1 C 13 24.0 0.1 . 2 . . . . 30 VAL CG1 . 26910 1 160 . 1 1 30 30 VAL CG2 C 13 21.5 0.1 . 2 . . . . 30 VAL CG2 . 26910 1 161 . 1 1 30 30 VAL N N 15 119.9 0.2 . 1 . . . . 30 VAL N . 26910 1 162 . 1 1 31 31 VAL C C 13 178.6 0.1 . 1 . . . . 31 VAL C . 26910 1 163 . 1 1 31 31 VAL CA C 13 66.2 0.1 . 1 . . . . 31 VAL CA . 26910 1 164 . 1 1 31 31 VAL CB C 13 32.3 0.1 . 1 . . . . 31 VAL CB . 26910 1 165 . 1 1 31 31 VAL CG1 C 13 22.9 0.1 . 2 . . . . 31 VAL CG1 . 26910 1 166 . 1 1 31 31 VAL CG2 C 13 21.2 0.1 . 2 . . . . 31 VAL CG2 . 26910 1 167 . 1 1 31 31 VAL N N 15 121.7 0.1 . 1 . . . . 31 VAL N . 26910 1 168 . 1 1 32 32 ILE C C 13 178.9 0.1 . 1 . . . . 32 ILE C . 26910 1 169 . 1 1 32 32 ILE CA C 13 65.7 0.1 . 1 . . . . 32 ILE CA . 26910 1 170 . 1 1 32 32 ILE CB C 13 38.0 0.1 . 1 . . . . 32 ILE CB . 26910 1 171 . 1 1 32 32 ILE CG1 C 13 29.8 0.1 . 1 . . . . 32 ILE CG1 . 26910 1 172 . 1 1 32 32 ILE CG2 C 13 17.0 0.1 . 1 . . . . 32 ILE CG2 . 26910 1 173 . 1 1 32 32 ILE CD1 C 13 13.9 0.1 . 1 . . . . 32 ILE CD1 . 26910 1 174 . 1 1 32 32 ILE N N 15 121.2 0.1 . 1 . . . . 32 ILE N . 26910 1 175 . 1 1 33 33 VAL C C 13 178.3 0.1 . 1 . . . . 33 VAL C . 26910 1 176 . 1 1 33 33 VAL CA C 13 66.0 0.2 . 1 . . . . 33 VAL CA . 26910 1 177 . 1 1 33 33 VAL CB C 13 31.6 0.1 . 1 . . . . 33 VAL CB . 26910 1 178 . 1 1 33 33 VAL CG1 C 13 24.9 0.1 . 2 . . . . 33 VAL CG1 . 26910 1 179 . 1 1 33 33 VAL CG2 C 13 22.5 0.1 . 2 . . . . 33 VAL CG2 . 26910 1 180 . 1 1 33 33 VAL N N 15 122.1 0.1 . 1 . . . . 33 VAL N . 26910 1 181 . 1 1 34 34 GLY C C 13 177.2 0.1 . 1 . . . . 34 GLY C . 26910 1 182 . 1 1 34 34 GLY CA C 13 47.8 0.1 . 1 . . . . 34 GLY CA . 26910 1 183 . 1 1 34 34 GLY N N 15 107.2 0.1 . 1 . . . . 34 GLY N . 26910 1 184 . 1 1 35 35 ALA C C 13 179.0 0.1 . 1 . . . . 35 ALA C . 26910 1 185 . 1 1 35 35 ALA CA C 13 55.0 0.1 . 1 . . . . 35 ALA CA . 26910 1 186 . 1 1 35 35 ALA CB C 13 21.4 0.1 . 1 . . . . 35 ALA CB . 26910 1 187 . 1 1 35 35 ALA N N 15 123.2 0.1 . 1 . . . . 35 ALA N . 26910 1 188 . 1 1 36 36 THR C C 13 179.1 0.1 . 1 . . . . 36 THR C . 26910 1 189 . 1 1 36 36 THR CA C 13 67.4 0.1 . 1 . . . . 36 THR CA . 26910 1 190 . 1 1 36 36 THR CB C 13 67.5 0.2 . 1 . . . . 36 THR CB . 26910 1 191 . 1 1 36 36 THR CG2 C 13 22.8 0.2 . 1 . . . . 36 THR CG2 . 26910 1 192 . 1 1 36 36 THR N N 15 112.8 0.2 . 1 . . . . 36 THR N . 26910 1 193 . 1 1 37 37 ILE C C 13 178.1 0.1 . 1 . . . . 37 ILE C . 26910 1 194 . 1 1 37 37 ILE CA C 13 61.5 0.2 . 1 . . . . 37 ILE CA . 26910 1 195 . 1 1 37 37 ILE CB C 13 34.5 0.1 . 1 . . . . 37 ILE CB . 26910 1 196 . 1 1 37 37 ILE CG1 C 13 28.4 0.1 . 1 . . . . 37 ILE CG1 . 26910 1 197 . 1 1 37 37 ILE CG2 C 13 17.9 0.1 . 1 . . . . 37 ILE CG2 . 26910 1 198 . 1 1 37 37 ILE CD1 C 13 8.5 0.1 . 1 . . . . 37 ILE CD1 . 26910 1 199 . 1 1 37 37 ILE N N 15 123.3 0.2 . 1 . . . . 37 ILE N . 26910 1 200 . 1 1 38 38 GLY C C 13 175.8 0.1 . 1 . . . . 38 GLY C . 26910 1 201 . 1 1 38 38 GLY CA C 13 48.4 0.1 . 1 . . . . 38 GLY CA . 26910 1 202 . 1 1 38 38 GLY N N 15 110.1 0.1 . 1 . . . . 38 GLY N . 26910 1 203 . 1 1 39 39 ILE C C 13 177.8 0.1 . 1 . . . . 39 ILE C . 26910 1 204 . 1 1 39 39 ILE CA C 13 66.3 0.1 . 1 . . . . 39 ILE CA . 26910 1 205 . 1 1 39 39 ILE CB C 13 38.1 0.1 . 1 . . . . 39 ILE CB . 26910 1 206 . 1 1 39 39 ILE CG1 C 13 29.2 0.1 . 1 . . . . 39 ILE CG1 . 26910 1 207 . 1 1 39 39 ILE CG2 C 13 17.4 0.1 . 1 . . . . 39 ILE CG2 . 26910 1 208 . 1 1 39 39 ILE CD1 C 13 12.3 0.1 . 1 . . . . 39 ILE CD1 . 26910 1 209 . 1 1 39 39 ILE N N 15 122.2 0.1 . 1 . . . . 39 ILE N . 26910 1 210 . 1 1 40 40 LYS CA C 13 60.1 0.1 . 1 . . . . 40 LYS CA . 26910 1 211 . 1 1 40 40 LYS CB C 13 33.5 0.1 . 1 . . . . 40 LYS CB . 26910 1 212 . 1 1 40 40 LYS CG C 13 25.5 0.1 . 1 . . . . 40 LYS CG . 26910 1 213 . 1 1 40 40 LYS CD C 13 30.6 0.1 . 1 . . . . 40 LYS CD . 26910 1 214 . 1 1 40 40 LYS CE C 13 42.6 0.1 . 1 . . . . 40 LYS CE . 26910 1 215 . 1 1 40 40 LYS N N 15 121.1 0.1 . 1 . . . . 40 LYS N . 26910 1 216 . 1 1 41 41 LEU C C 13 179.1 0.2 . 1 . . . . 41 LEU C . 26910 1 217 . 1 1 41 41 LEU CA C 13 57.8 0.1 . 1 . . . . 41 LEU CA . 26910 1 218 . 1 1 41 41 LEU CB C 13 42.0 0.1 . 1 . . . . 41 LEU CB . 26910 1 219 . 1 1 41 41 LEU CG C 13 26.6 0.1 . 1 . . . . 41 LEU CG . 26910 1 220 . 1 1 41 41 LEU CD1 C 13 23.5 0.1 . 2 . . . . 41 LEU CD1 . 26910 1 221 . 1 1 41 41 LEU CD2 C 13 23.5 0.1 . 2 . . . . 41 LEU CD2 . 26910 1 222 . 1 1 41 41 LEU N N 15 124.6 0.2 . 1 . . . . 41 LEU N . 26910 1 223 . 1 1 42 42 PHE C C 13 179.2 0.1 . 1 . . . . 42 PHE C . 26910 1 224 . 1 1 42 42 PHE CA C 13 62.2 0.1 . 1 . . . . 42 PHE CA . 26910 1 225 . 1 1 42 42 PHE CB C 13 40.1 0.1 . 1 . . . . 42 PHE CB . 26910 1 226 . 1 1 42 42 PHE CG C 13 138.8 0.1 . 1 . . . . 42 PHE CG . 26910 1 227 . 1 1 42 42 PHE CD1 C 13 130.7 0.1 . 3 . . . . 42 PHE CD1 . 26910 1 228 . 1 1 42 42 PHE CD2 C 13 130.7 0.2 . 3 . . . . 42 PHE CD2 . 26910 1 229 . 1 1 42 42 PHE N N 15 123.2 0.1 . 1 . . . . 42 PHE N . 26910 1 230 . 1 1 43 43 LYS C C 13 177.9 0.1 . 1 . . . . 43 LYS C . 26910 1 231 . 1 1 43 43 LYS CA C 13 60.5 0.1 . 1 . . . . 43 LYS CA . 26910 1 232 . 1 1 43 43 LYS CB C 13 33.4 0.1 . 1 . . . . 43 LYS CB . 26910 1 233 . 1 1 43 43 LYS CG C 13 26.5 0.1 . 1 . . . . 43 LYS CG . 26910 1 234 . 1 1 43 43 LYS CD C 13 30.5 0.1 . 1 . . . . 43 LYS CD . 26910 1 235 . 1 1 43 43 LYS CE C 13 41.8 0.1 . 1 . . . . 43 LYS CE . 26910 1 236 . 1 1 43 43 LYS N N 15 121.1 0.1 . 1 . . . . 43 LYS N . 26910 1 237 . 1 1 43 43 LYS NZ N 15 34.1 0.2 . 1 . . . . 43 LYS NZ . 26910 1 238 . 1 1 44 44 LYS C C 13 179.3 0.1 . 1 . . . . 44 LYS C . 26910 1 239 . 1 1 44 44 LYS CA C 13 59.5 0.1 . 1 . . . . 44 LYS CA . 26910 1 240 . 1 1 44 44 LYS CB C 13 33.1 0.1 . 1 . . . . 44 LYS CB . 26910 1 241 . 1 1 44 44 LYS CG C 13 24.0 0.1 . 1 . . . . 44 LYS CG . 26910 1 242 . 1 1 44 44 LYS CD C 13 29.8 0.1 . 1 . . . . 44 LYS CD . 26910 1 243 . 1 1 44 44 LYS CE C 13 41.0 0.1 . 1 . . . . 44 LYS CE . 26910 1 244 . 1 1 44 44 LYS N N 15 120.2 0.1 . 1 . . . . 44 LYS N . 26910 1 245 . 1 1 44 44 LYS NZ N 15 34.3 0.1 . 1 . . . . 44 LYS NZ . 26910 1 246 . 1 1 45 45 PHE C C 13 178.7 0.1 . 1 . . . . 45 PHE C . 26910 1 247 . 1 1 45 45 PHE CA C 13 62.8 0.1 . 1 . . . . 45 PHE CA . 26910 1 248 . 1 1 45 45 PHE CB C 13 38.0 0.1 . 1 . . . . 45 PHE CB . 26910 1 249 . 1 1 45 45 PHE CD1 C 13 130.7 0.1 . 3 . . . . 45 PHE CD1 . 26910 1 250 . 1 1 45 45 PHE CD2 C 13 130.7 0.1 . 3 . . . . 45 PHE CD2 . 26910 1 251 . 1 1 45 45 PHE N N 15 115.4 0.1 . 1 . . . . 45 PHE N . 26910 1 252 . 1 1 46 46 THR C C 13 177.4 0.1 . 1 . . . . 46 THR C . 26910 1 253 . 1 1 46 46 THR CA C 13 65.8 0.1 . 1 . . . . 46 THR CA . 26910 1 254 . 1 1 46 46 THR CB C 13 68.8 0.1 . 1 . . . . 46 THR CB . 26910 1 255 . 1 1 46 46 THR CG2 C 13 24.6 0.1 . 1 . . . . 46 THR CG2 . 26910 1 256 . 1 1 46 46 THR N N 15 109.3 0.2 . 1 . . . . 46 THR N . 26910 1 257 . 1 1 47 47 SER C C 13 176.2 0.2 . 1 . . . . 47 SER C . 26910 1 258 . 1 1 47 47 SER CA C 13 61.9 0.1 . 1 . . . . 47 SER CA . 26910 1 259 . 1 1 47 47 SER CB C 13 62.9 0.1 . 1 . . . . 47 SER CB . 26910 1 260 . 1 1 47 47 SER N N 15 116.1 0.1 . 1 . . . . 47 SER N . 26910 1 261 . 1 1 48 48 LYS C C 13 180.3 0.2 . 1 . . . . 48 LYS C . 26910 1 262 . 1 1 48 48 LYS CA C 13 59.9 0.2 . 1 . . . . 48 LYS CA . 26910 1 263 . 1 1 48 48 LYS CB C 13 33.4 0.2 . 1 . . . . 48 LYS CB . 26910 1 264 . 1 1 48 48 LYS CD C 13 30.8 0.2 . 1 . . . . 48 LYS CD . 26910 1 265 . 1 1 48 48 LYS CE C 13 42.5 0.2 . 1 . . . . 48 LYS CE . 26910 1 266 . 1 1 49 49 ALA C C 13 173.7 0.1 . 1 . . . . 49 ALA C . 26910 1 267 . 1 1 49 49 ALA CA C 13 52.2 0.1 . 1 . . . . 49 ALA CA . 26910 1 268 . 1 1 49 49 ALA CB C 13 20.8 0.1 . 1 . . . . 49 ALA CB . 26910 1 269 . 1 1 49 49 ALA N N 15 119.5 0.1 . 1 . . . . 49 ALA N . 26910 1 270 . 1 1 50 50 SER C C 13 179.4 0.1 . 1 . . . . 50 SER C . 26910 1 271 . 1 1 50 50 SER CA C 13 57.8 0.1 . 1 . . . . 50 SER CA . 26910 1 272 . 1 1 50 50 SER CB C 13 66.7 0.1 . 1 . . . . 50 SER CB . 26910 1 273 . 1 1 50 50 SER N N 15 110.9 0.1 . 1 . . . . 50 SER N . 26910 1 stop_ save_