################################### # 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 27220 _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 PDSD' . . . 27220 1 2 '2D NCA' . . . 27220 1 3 '2D NCO' . . . 27220 1 4 '3D CANCO' . . . 27220 1 5 '3D NCOCA' . . . 27220 1 6 '3D NCOCACB' . . . 27220 1 7 '2D CANCOCA' . . . 27220 1 8 '3D NCACX' . . . 27220 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 21 21 VAL C C 13 178.3 0.15 . 1 . . . . . 29 VAL C . 27220 1 2 . 1 1 21 21 VAL CA C 13 67.37 0.10 . 1 . . . . . 29 VAL CA . 27220 1 3 . 1 1 21 21 VAL CB C 13 31.49 0.08 . 1 . . . . . 29 VAL CB . 27220 1 4 . 1 1 21 21 VAL CG1 C 13 23.82 0.06 . 2 . . . . . 29 VAL CG1 . 27220 1 5 . 1 1 21 21 VAL CG2 C 13 21.72 0.03 . 2 . . . . . 29 VAL CG2 . 27220 1 6 . 1 1 21 21 VAL N N 15 118.4 0.18 . 1 . . . . . 29 VAL N . 27220 1 7 . 1 1 22 22 LEU C C 13 180.1 0.10 . 1 . . . . . 30 LEU C . 27220 1 8 . 1 1 22 22 LEU CA C 13 58.17 0.11 . 1 . . . . . 30 LEU CA . 27220 1 9 . 1 1 22 22 LEU CB C 13 41.67 0.15 . 1 . . . . . 30 LEU CB . 27220 1 10 . 1 1 22 22 LEU CG C 13 26.63 0.05 . 1 . . . . . 30 LEU CG . 27220 1 11 . 1 1 22 22 LEU N N 15 118.4 0.14 . 1 . . . . . 30 LEU N . 27220 1 12 . 1 1 23 23 THR C C 13 176.2 0.09 . 1 . . . . . 31 THR C . 27220 1 13 . 1 1 23 23 THR CA C 13 68.49 0.18 . 1 . . . . . 31 THR CA . 27220 1 14 . 1 1 23 23 THR CB C 13 67.94 0.13 . 1 . . . . . 31 THR CB . 27220 1 15 . 1 1 23 23 THR CG2 C 13 22.72 0.09 . 1 . . . . . 31 THR CG2 . 27220 1 16 . 1 1 23 23 THR N N 15 120.8 0.13 . 1 . . . . . 31 THR N . 27220 1 17 . 1 1 24 24 ILE C C 13 178.4 0.10 . 1 . . . . . 32 ILE C . 27220 1 18 . 1 1 24 24 ILE CA C 13 64.77 0.09 . 1 . . . . . 32 ILE CA . 27220 1 19 . 1 1 24 24 ILE CB C 13 36.49 0.08 . 1 . . . . . 32 ILE CB . 27220 1 20 . 1 1 24 24 ILE CG1 C 13 28.40 0.06 . 1 . . . . . 32 ILE CG1 . 27220 1 21 . 1 1 24 24 ILE CG2 C 13 17.88 0.06 . 1 . . . . . 32 ILE CG2 . 27220 1 22 . 1 1 24 24 ILE CD1 C 13 11.63 0.04 . 1 . . . . . 32 ILE CD1 . 27220 1 23 . 1 1 24 24 ILE N N 15 121.4 0.09 . 1 . . . . . 32 ILE N . 27220 1 24 . 1 1 25 25 LEU C C 13 180.2 0.11 . 1 . . . . . 33 LEU C . 27220 1 25 . 1 1 25 25 LEU CA C 13 58.23 0.07 . 1 . . . . . 33 LEU CA . 27220 1 26 . 1 1 25 25 LEU CB C 13 41.68 0.10 . 1 . . . . . 33 LEU CB . 27220 1 27 . 1 1 25 25 LEU CG C 13 26.69 0.06 . 1 . . . . . 33 LEU CG . 27220 1 28 . 1 1 25 25 LEU N N 15 119.1 0.14 . 1 . . . . . 33 LEU N . 27220 1 29 . 1 1 26 26 THR C C 13 178.4 0.09 . 1 . . . . . 34 THR C . 27220 1 30 . 1 1 26 26 THR CA C 13 68.53 0.11 . 1 . . . . . 34 THR CA . 27220 1 31 . 1 1 26 26 THR N N 15 121.1 0.14 . 1 . . . . . 34 THR N . 27220 1 32 . 1 1 27 27 LEU C C 13 180.5 0.11 . 1 . . . . . 35 LEU C . 27220 1 33 . 1 1 27 27 LEU CA C 13 58.50 0.10 . 1 . . . . . 35 LEU CA . 27220 1 34 . 1 1 27 27 LEU CB C 13 42.62 0.09 . 1 . . . . . 35 LEU CB . 27220 1 35 . 1 1 27 27 LEU CG C 13 26.54 0.07 . 1 . . . . . 35 LEU CG . 27220 1 36 . 1 1 27 27 LEU CD1 C 13 24.15 0.03 . 1 . . . . . 35 LEU CD1 . 27220 1 37 . 1 1 27 27 LEU N N 15 124.9 0.20 . 1 . . . . . 35 LEU N . 27220 1 38 . 1 1 28 28 ILE C C 13 177.3 0.07 . 1 . . . . . 36 ILE C . 27220 1 39 . 1 1 28 28 ILE CA C 13 66.29 0.10 . 1 . . . . . 36 ILE CA . 27220 1 40 . 1 1 28 28 ILE CB C 13 38.26 0.10 . 1 . . . . . 36 ILE CB . 27220 1 41 . 1 1 28 28 ILE CG1 C 13 29.55 0.10 . 1 . . . . . 36 ILE CG1 . 27220 1 42 . 1 1 28 28 ILE CG2 C 13 17.52 0.03 . 1 . . . . . 36 ILE CG2 . 27220 1 43 . 1 1 28 28 ILE CD1 C 13 14.53 0.10 . 1 . . . . . 36 ILE CD1 . 27220 1 44 . 1 1 28 28 ILE N N 15 121.9 0.24 . 1 . . . . . 36 ILE N . 27220 1 45 . 1 1 29 29 SER C C 13 176.4 0.08 . 1 . . . . . 37 SER C . 27220 1 46 . 1 1 29 29 SER CA C 13 63.92 0.10 . 1 . . . . . 37 SER CA . 27220 1 47 . 1 1 29 29 SER CB C 13 62.98 0.15 . 1 . . . . . 37 SER CB . 27220 1 48 . 1 1 29 29 SER N N 15 116.6 0.17 . 1 . . . . . 37 SER N . 27220 1 49 . 1 1 30 30 GLY C C 13 174.9 0.12 . 1 . . . . . 38 GLY C . 27220 1 50 . 1 1 30 30 GLY CA C 13 47.16 0.09 . 1 . . . . . 38 GLY CA . 27220 1 51 . 1 1 30 30 GLY N N 15 108.0 0.16 . 1 . . . . . 38 GLY N . 27220 1 52 . 1 1 31 31 THR C C 13 177.6 0.10 . 1 . . . . . 39 THR C . 27220 1 53 . 1 1 31 31 THR CA C 13 67.92 0.10 . 1 . . . . . 39 THR CA . 27220 1 54 . 1 1 31 31 THR CB C 13 68.04 0.08 . 1 . . . . . 39 THR CB . 27220 1 55 . 1 1 31 31 THR CG2 C 13 21.03 0.02 . 1 . . . . . 39 THR CG2 . 27220 1 56 . 1 1 31 31 THR N N 15 118.7 0.17 . 1 . . . . . 39 THR N . 27220 1 57 . 1 1 32 32 ILE C C 13 178.3 0.19 . 1 . . . . . 40 ILE C . 27220 1 58 . 1 1 32 32 ILE CA C 13 65.37 0.08 . 1 . . . . . 40 ILE CA . 27220 1 59 . 1 1 32 32 ILE CB C 13 38.39 0.12 . 1 . . . . . 40 ILE CB . 27220 1 60 . 1 1 32 32 ILE CG1 C 13 29.52 0.10 . 1 . . . . . 40 ILE CG1 . 27220 1 61 . 1 1 32 32 ILE CG2 C 13 17.65 0.07 . 1 . . . . . 40 ILE CG2 . 27220 1 62 . 1 1 32 32 ILE CD1 C 13 14.67 0.07 . 1 . . . . . 40 ILE CD1 . 27220 1 63 . 1 1 32 32 ILE N N 15 120.5 0.15 . 1 . . . . . 40 ILE N . 27220 1 64 . 1 1 33 33 PHE C C 13 177.3 0.03 . 1 . . . . . 41 PHE C . 27220 1 65 . 1 1 33 33 PHE CA C 13 63.23 0.08 . 1 . . . . . 41 PHE CA . 27220 1 66 . 1 1 33 33 PHE CB C 13 38.56 0.11 . 1 . . . . . 41 PHE CB . 27220 1 67 . 1 1 33 33 PHE N N 15 122.6 0.34 . 1 . . . . . 41 PHE N . 27220 1 68 . 1 1 34 34 TYR C C 13 178.3 0.05 . 1 . . . . . 42 TYR C . 27220 1 69 . 1 1 34 34 TYR CA C 13 62.93 0.09 . 1 . . . . . 42 TYR CA . 27220 1 70 . 1 1 34 34 TYR CB C 13 37.56 0.15 . 1 . . . . . 42 TYR CB . 27220 1 71 . 1 1 34 34 TYR N N 15 116.3 0.11 . 1 . . . . . 42 TYR N . 27220 1 72 . 1 1 35 35 SER C C 13 175.4 0.11 . 1 . . . . . 43 SER C . 27220 1 73 . 1 1 35 35 SER CA C 13 60.65 0.09 . 1 . . . . . 43 SER CA . 27220 1 74 . 1 1 35 35 SER CB C 13 64.19 0.02 . 1 . . . . . 43 SER CB . 27220 1 75 . 1 1 35 35 SER N N 15 113.6 0.10 . 1 . . . . . 43 SER N . 27220 1 76 . 1 1 37 37 VAL C C 13 177.2 0.07 . 1 . . . . . 45 VAL C . 27220 1 77 . 1 1 37 37 VAL CA C 13 65.26 0.09 . 1 . . . . . 45 VAL CA . 27220 1 78 . 1 1 37 37 VAL CB C 13 31.68 0.04 . 1 . . . . . 45 VAL CB . 27220 1 79 . 1 1 37 37 VAL CG1 C 13 22.69 0.05 . 2 . . . . . 45 VAL CG1 . 27220 1 80 . 1 1 37 37 VAL CG2 C 13 21.24 0.09 . 2 . . . . . 45 VAL CG2 . 27220 1 81 . 1 1 37 37 VAL N N 15 121.8 0.04 . 1 . . . . . 45 VAL N . 27220 1 82 . 1 1 38 38 GLU C C 13 177.0 0.08 . 1 . . . . . 46 GLU C . 27220 1 83 . 1 1 38 38 GLU CA C 13 55.62 0.08 . 1 . . . . . 46 GLU CA . 27220 1 84 . 1 1 38 38 GLU CB C 13 29.73 0.07 . 1 . . . . . 46 GLU CB . 27220 1 85 . 1 1 38 38 GLU CG C 13 36.68 0.07 . 1 . . . . . 46 GLU CG . 27220 1 86 . 1 1 38 38 GLU CD C 13 181.1 0.05 . 1 . . . . . 46 GLU CD . 27220 1 87 . 1 1 38 38 GLU N N 15 111.6 0.11 . 1 . . . . . 46 GLU N . 27220 1 88 . 1 1 39 39 GLY C C 13 174.2 0.05 . 1 . . . . . 47 GLY C . 27220 1 89 . 1 1 39 39 GLY CA C 13 46.70 0.06 . 1 . . . . . 47 GLY CA . 27220 1 90 . 1 1 39 39 GLY N N 15 105.7 0.18 . 1 . . . . . 47 GLY N . 27220 1 91 . 1 1 40 40 LEU C C 13 177.9 0.10 . 1 . . . . . 48 LEU C . 27220 1 92 . 1 1 40 40 LEU CA C 13 54.17 0.13 . 1 . . . . . 48 LEU CA . 27220 1 93 . 1 1 40 40 LEU CB C 13 42.82 0.09 . 1 . . . . . 48 LEU CB . 27220 1 94 . 1 1 40 40 LEU CG C 13 26.41 0.03 . 1 . . . . . 48 LEU CG . 27220 1 95 . 1 1 40 40 LEU CD1 C 13 24.64 0.04 . 2 . . . . . 48 LEU CD1 . 27220 1 96 . 1 1 40 40 LEU CD2 C 13 21.57 0.06 . 2 . . . . . 48 LEU CD2 . 27220 1 97 . 1 1 40 40 LEU N N 15 119.0 0.13 . 1 . . . . . 48 LEU N . 27220 1 98 . 1 1 41 41 ARG C C 13 176.5 0.08 . 1 . . . . . 49 ARG C . 27220 1 99 . 1 1 41 41 ARG CA C 13 55.45 0.09 . 1 . . . . . 49 ARG CA . 27220 1 100 . 1 1 41 41 ARG CB C 13 30.38 0.09 . 1 . . . . . 49 ARG CB . 27220 1 101 . 1 1 41 41 ARG CG C 13 27.83 0.08 . 1 . . . . . 49 ARG CG . 27220 1 102 . 1 1 41 41 ARG CD C 13 43.82 0.02 . 1 . . . . . 49 ARG CD . 27220 1 103 . 1 1 41 41 ARG CZ C 13 160.0 0.03 . 1 . . . . . 49 ARG CZ . 27220 1 104 . 1 1 41 41 ARG N N 15 122.0 0.12 . 1 . . . . . 49 ARG N . 27220 1 105 . 1 1 42 42 PRO C C 13 177.8 0.06 . 1 . . . . . 50 PRO C . 27220 1 106 . 1 1 42 42 PRO CA C 13 66.69 0.09 . 1 . . . . . 50 PRO CA . 27220 1 107 . 1 1 42 42 PRO CB C 13 31.85 0.09 . 1 . . . . . 50 PRO CB . 27220 1 108 . 1 1 42 42 PRO CG C 13 28.00 0.03 . 1 . . . . . 50 PRO CG . 27220 1 109 . 1 1 42 42 PRO CD C 13 49.91 0.06 . 1 . . . . . 50 PRO CD . 27220 1 110 . 1 1 42 42 PRO N N 15 136.3 0.01 . 1 . . . . . 50 PRO N . 27220 1 111 . 1 1 43 43 ILE C C 13 175.5 0.07 . 1 . . . . . 51 ILE C . 27220 1 112 . 1 1 43 43 ILE CA C 13 63.53 0.08 . 1 . . . . . 51 ILE CA . 27220 1 113 . 1 1 43 43 ILE CB C 13 37.25 0.11 . 1 . . . . . 51 ILE CB . 27220 1 114 . 1 1 43 43 ILE CG1 C 13 29.80 0.05 . 1 . . . . . 51 ILE CG1 . 27220 1 115 . 1 1 43 43 ILE CG2 C 13 17.29 0.10 . 1 . . . . . 51 ILE CG2 . 27220 1 116 . 1 1 43 43 ILE CD1 C 13 14.05 0.03 . 1 . . . . . 51 ILE CD1 . 27220 1 117 . 1 1 43 43 ILE N N 15 114.5 0.16 . 1 . . . . . 51 ILE N . 27220 1 118 . 1 1 44 44 ASP C C 13 178.0 0.08 . 1 . . . . . 52 ASP C . 27220 1 119 . 1 1 44 44 ASP CA C 13 56.77 0.10 . 1 . . . . . 52 ASP CA . 27220 1 120 . 1 1 44 44 ASP CB C 13 40.49 0.04 . 1 . . . . . 52 ASP CB . 27220 1 121 . 1 1 44 44 ASP CG C 13 178.2 0.06 . 1 . . . . . 52 ASP CG . 27220 1 122 . 1 1 44 44 ASP N N 15 123.3 0.11 . 1 . . . . . 52 ASP N . 27220 1 123 . 1 1 45 45 ALA C C 13 180.3 0.03 . 1 . . . . . 53 ALA C . 27220 1 124 . 1 1 45 45 ALA CA C 13 54.73 0.05 . 1 . . . . . 53 ALA CA . 27220 1 125 . 1 1 45 45 ALA CB C 13 21.54 0.02 . 1 . . . . . 53 ALA CB . 27220 1 126 . 1 1 45 45 ALA N N 15 124.7 0.10 . 1 . . . . . 53 ALA N . 27220 1 127 . 1 1 46 46 LEU C C 13 178.0 0.05 . 1 . . . . . 54 LEU C . 27220 1 128 . 1 1 46 46 LEU CA C 13 57.75 0.11 . 1 . . . . . 54 LEU CA . 27220 1 129 . 1 1 46 46 LEU CB C 13 40.48 0.05 . 1 . . . . . 54 LEU CB . 27220 1 130 . 1 1 46 46 LEU CG C 13 27.53 0.05 . 1 . . . . . 54 LEU CG . 27220 1 131 . 1 1 46 46 LEU CD1 C 13 26.88 0.01 . 2 . . . . . 54 LEU CD1 . 27220 1 132 . 1 1 46 46 LEU CD2 C 13 22.52 0.04 . 2 . . . . . 54 LEU CD2 . 27220 1 133 . 1 1 46 46 LEU N N 15 123.7 0.07 . 1 . . . . . 54 LEU N . 27220 1 134 . 1 1 47 47 TYR C C 13 176.8 0.06 . 1 . . . . . 55 TYR C . 27220 1 135 . 1 1 47 47 TYR CA C 13 63.29 0.11 . 1 . . . . . 55 TYR CA . 27220 1 136 . 1 1 47 47 TYR CB C 13 39.17 0.14 . 1 . . . . . 55 TYR CB . 27220 1 137 . 1 1 47 47 TYR CG C 13 132.6 0.10 . 1 . . . . . 55 TYR CG . 27220 1 138 . 1 1 47 47 TYR N N 15 120.2 0.13 . 1 . . . . . 55 TYR N . 27220 1 139 . 1 1 48 48 PHE C C 13 178.9 0.08 . 1 . . . . . 56 PHE C . 27220 1 140 . 1 1 48 48 PHE CA C 13 61.85 0.10 . 1 . . . . . 56 PHE CA . 27220 1 141 . 1 1 48 48 PHE CB C 13 38.30 0.24 . 1 . . . . . 56 PHE CB . 27220 1 142 . 1 1 48 48 PHE N N 15 118.1 0.09 . 1 . . . . . 56 PHE N . 27220 1 143 . 1 1 49 49 SER C C 13 176.6 0.13 . 1 . . . . . 57 SER C . 27220 1 144 . 1 1 49 49 SER CA C 13 64.38 0.08 . 1 . . . . . 57 SER CA . 27220 1 145 . 1 1 49 49 SER CB C 13 62.42 0.09 . 1 . . . . . 57 SER CB . 27220 1 146 . 1 1 49 49 SER N N 15 118.2 0.09 . 1 . . . . . 57 SER N . 27220 1 147 . 1 1 50 50 VAL C C 13 179.1 0.11 . 1 . . . . . 58 VAL C . 27220 1 148 . 1 1 50 50 VAL CA C 13 67.33 0.09 . 1 . . . . . 58 VAL CA . 27220 1 149 . 1 1 50 50 VAL CB C 13 31.71 0.12 . 1 . . . . . 58 VAL CB . 27220 1 150 . 1 1 50 50 VAL CG1 C 13 23.75 0.08 . 2 . . . . . 58 VAL CG1 . 27220 1 151 . 1 1 50 50 VAL CG2 C 13 21.28 0.10 . 2 . . . . . 58 VAL CG2 . 27220 1 152 . 1 1 50 50 VAL N N 15 122.2 0.19 . 1 . . . . . 58 VAL N . 27220 1 153 . 1 1 51 51 VAL C C 13 178.2 0.06 . 1 . . . . . 59 VAL C . 27220 1 154 . 1 1 51 51 VAL CA C 13 65.13 0.06 . 1 . . . . . 59 VAL CA . 27220 1 155 . 1 1 51 51 VAL CB C 13 30.21 0.05 . 1 . . . . . 59 VAL CB . 27220 1 156 . 1 1 51 51 VAL CG1 C 13 20.15 0.04 . 2 . . . . . 59 VAL CG1 . 27220 1 157 . 1 1 51 51 VAL CG2 C 13 19.07 0.02 . 2 . . . . . 59 VAL CG2 . 27220 1 158 . 1 1 51 51 VAL N N 15 114.1 0.21 . 1 . . . . . 59 VAL N . 27220 1 159 . 1 1 52 52 THR C C 13 175.0 0.10 . 1 . . . . . 60 THR C . 27220 1 160 . 1 1 52 52 THR CA C 13 67.21 0.08 . 1 . . . . . 60 THR CA . 27220 1 161 . 1 1 52 52 THR CB C 13 67.78 0.10 . 1 . . . . . 60 THR CB . 27220 1 162 . 1 1 52 52 THR N N 15 120.2 0.13 . 1 . . . . . 60 THR N . 27220 1 163 . 1 1 53 53 LEU C C 13 175.5 0.11 . 1 . . . . . 61 LEU C . 27220 1 164 . 1 1 53 53 LEU CA C 13 57.75 0.14 . 1 . . . . . 61 LEU CA . 27220 1 165 . 1 1 53 53 LEU CB C 13 43.22 0.08 . 1 . . . . . 61 LEU CB . 27220 1 166 . 1 1 53 53 LEU CG C 13 26.16 0.13 . 1 . . . . . 61 LEU CG . 27220 1 167 . 1 1 53 53 LEU N N 15 120.7 0.10 . 1 . . . . . 61 LEU N . 27220 1 168 . 1 1 54 54 THR C C 13 176.7 0.10 . 1 . . . . . 62 THR C . 27220 1 169 . 1 1 54 54 THR CA C 13 61.71 0.06 . 1 . . . . . 62 THR CA . 27220 1 170 . 1 1 54 54 THR CB C 13 69.72 0.07 . 1 . . . . . 62 THR CB . 27220 1 171 . 1 1 54 54 THR CG2 C 13 21.87 0.09 . 1 . . . . . 62 THR CG2 . 27220 1 172 . 1 1 54 54 THR N N 15 98.30 0.14 . 1 . . . . . 62 THR N . 27220 1 173 . 1 1 55 55 THR C C 13 171.9 0.06 . 1 . . . . . 63 THR C . 27220 1 174 . 1 1 55 55 THR CA C 13 64.56 0.11 . 1 . . . . . 63 THR CA . 27220 1 175 . 1 1 55 55 THR CB C 13 69.30 0.10 . 1 . . . . . 63 THR CB . 27220 1 176 . 1 1 55 55 THR CG2 C 13 21.08 0.06 . 1 . . . . . 63 THR CG2 . 27220 1 177 . 1 1 55 55 THR N N 15 110.8 0.12 . 1 . . . . . 63 THR N . 27220 1 178 . 1 1 56 56 VAL C C 13 178.0 0.05 . 1 . . . . . 64 VAL C . 27220 1 179 . 1 1 56 56 VAL CA C 13 65.97 0.10 . 1 . . . . . 64 VAL CA . 27220 1 180 . 1 1 56 56 VAL CB C 13 32.93 0.10 . 1 . . . . . 64 VAL CB . 27220 1 181 . 1 1 56 56 VAL CG1 C 13 22.04 0.06 . 1 . . . . . 64 VAL CG1 . 27220 1 182 . 1 1 56 56 VAL N N 15 124.6 0.10 . 1 . . . . . 64 VAL N . 27220 1 183 . 1 1 57 57 GLY C C 13 172.6 0.10 . 1 . . . . . 65 GLY C . 27220 1 184 . 1 1 57 57 GLY CA C 13 43.70 0.06 . 1 . . . . . 65 GLY CA . 27220 1 185 . 1 1 57 57 GLY N N 15 102.3 0.19 . 1 . . . . . 65 GLY N . 27220 1 186 . 1 1 63 63 PRO C C 13 175.7 0.09 . 1 . . . . . 71 PRO C . 27220 1 187 . 1 1 63 63 PRO CA C 13 62.95 0.07 . 1 . . . . . 71 PRO CA . 27220 1 188 . 1 1 63 63 PRO CB C 13 31.85 0.08 . 1 . . . . . 71 PRO CB . 27220 1 189 . 1 1 63 63 PRO CG C 13 28.51 0.07 . 1 . . . . . 71 PRO CG . 27220 1 190 . 1 1 63 63 PRO CD C 13 50.44 0.05 . 1 . . . . . 71 PRO CD . 27220 1 191 . 1 1 64 64 GLN C C 13 178.1 0.07 . 1 . . . . . 72 GLN C . 27220 1 192 . 1 1 64 64 GLN CA C 13 55.26 0.09 . 1 . . . . . 72 GLN CA . 27220 1 193 . 1 1 64 64 GLN CB C 13 31.64 0.02 . 1 . . . . . 72 GLN CB . 27220 1 194 . 1 1 64 64 GLN CG C 13 34.17 0.04 . 1 . . . . . 72 GLN CG . 27220 1 195 . 1 1 64 64 GLN CD C 13 180.6 0.09 . 1 . . . . . 72 GLN CD . 27220 1 196 . 1 1 64 64 GLN N N 15 121.3 0.11 . 1 . . . . . 72 GLN N . 27220 1 197 . 1 1 65 65 THR C C 13 175.4 0.09 . 1 . . . . . 73 THR C . 27220 1 198 . 1 1 65 65 THR CA C 13 60.40 0.08 . 1 . . . . . 73 THR CA . 27220 1 199 . 1 1 65 65 THR CB C 13 71.65 0.05 . 1 . . . . . 73 THR CB . 27220 1 200 . 1 1 65 65 THR CG2 C 13 21.63 0.07 . 1 . . . . . 73 THR CG2 . 27220 1 201 . 1 1 65 65 THR N N 15 115.6 0.11 . 1 . . . . . 73 THR N . 27220 1 202 . 1 1 66 66 ASP C C 13 179.0 0.08 . 1 . . . . . 74 ASP C . 27220 1 203 . 1 1 66 66 ASP CA C 13 57.96 0.09 . 1 . . . . . 74 ASP CA . 27220 1 204 . 1 1 66 66 ASP CB C 13 39.07 0.08 . 1 . . . . . 74 ASP CB . 27220 1 205 . 1 1 66 66 ASP N N 15 125.6 0.06 . 1 . . . . . 74 ASP N . 27220 1 206 . 1 1 67 67 PHE C C 13 177.9 0.03 . 1 . . . . . 75 PHE C . 27220 1 207 . 1 1 67 67 PHE CA C 13 58.77 0.11 . 1 . . . . . 75 PHE CA . 27220 1 208 . 1 1 67 67 PHE CB C 13 38.24 0.03 . 1 . . . . . 75 PHE CB . 27220 1 209 . 1 1 67 67 PHE N N 15 119.1 0.10 . 1 . . . . . 75 PHE N . 27220 1 210 . 1 1 68 68 GLY C C 13 178.1 0.07 . 1 . . . . . 76 GLY C . 27220 1 211 . 1 1 68 68 GLY CA C 13 46.85 0.07 . 1 . . . . . 76 GLY CA . 27220 1 212 . 1 1 68 68 GLY N N 15 108.1 0.07 . 1 . . . . . 76 GLY N . 27220 1 213 . 1 1 69 69 LYS C C 13 177.6 0.08 . 1 . . . . . 77 LYS C . 27220 1 214 . 1 1 69 69 LYS CA C 13 61.44 0.07 . 1 . . . . . 77 LYS CA . 27220 1 215 . 1 1 69 69 LYS CB C 13 33.20 0.05 . 1 . . . . . 77 LYS CB . 27220 1 216 . 1 1 69 69 LYS CG C 13 26.92 0.09 . 1 . . . . . 77 LYS CG . 27220 1 217 . 1 1 69 69 LYS CD C 13 30.08 0.05 . 1 . . . . . 77 LYS CD . 27220 1 218 . 1 1 69 69 LYS CE C 13 42.61 0.02 . 1 . . . . . 77 LYS CE . 27220 1 219 . 1 1 69 69 LYS N N 15 127.4 0.08 . 1 . . . . . 77 LYS N . 27220 1 220 . 1 1 70 70 ILE C C 13 177.4 0.07 . 1 . . . . . 78 ILE C . 27220 1 221 . 1 1 70 70 ILE CA C 13 64.56 0.09 . 1 . . . . . 78 ILE CA . 27220 1 222 . 1 1 70 70 ILE CB C 13 37.34 0.09 . 1 . . . . . 78 ILE CB . 27220 1 223 . 1 1 70 70 ILE CG1 C 13 29.08 0.05 . 1 . . . . . 78 ILE CG1 . 27220 1 224 . 1 1 70 70 ILE CG2 C 13 17.78 0.09 . 1 . . . . . 78 ILE CG2 . 27220 1 225 . 1 1 70 70 ILE CD1 C 13 12.43 0.01 . 1 . . . . . 78 ILE CD1 . 27220 1 226 . 1 1 70 70 ILE N N 15 118.6 0.10 . 1 . . . . . 78 ILE N . 27220 1 227 . 1 1 71 71 PHE C C 13 176.2 0.09 . 1 . . . . . 79 PHE C . 27220 1 228 . 1 1 71 71 PHE CA C 13 62.25 0.10 . 1 . . . . . 79 PHE CA . 27220 1 229 . 1 1 71 71 PHE CB C 13 42.06 0.59 . 1 . . . . . 79 PHE CB . 27220 1 230 . 1 1 71 71 PHE N N 15 118.7 0.03 . 1 . . . . . 79 PHE N . 27220 1 231 . 1 1 72 72 THR C C 13 174.6 0.09 . 1 . . . . . 80 THR C . 27220 1 232 . 1 1 72 72 THR CA C 13 67.09 0.08 . 1 . . . . . 80 THR CA . 27220 1 233 . 1 1 72 72 THR CB C 13 69.08 0.06 . 1 . . . . . 80 THR CB . 27220 1 234 . 1 1 72 72 THR CG2 C 13 21.11 0.10 . 1 . . . . . 80 THR CG2 . 27220 1 235 . 1 1 72 72 THR N N 15 113.0 0.09 . 1 . . . . . 80 THR N . 27220 1 236 . 1 1 73 73 ILE C C 13 175.5 0.12 . 1 . . . . . 81 ILE C . 27220 1 237 . 1 1 73 73 ILE CA C 13 66.30 0.09 . 1 . . . . . 81 ILE CA . 27220 1 238 . 1 1 73 73 ILE CB C 13 38.25 0.10 . 1 . . . . . 81 ILE CB . 27220 1 239 . 1 1 73 73 ILE CG1 C 13 29.52 0.03 . 1 . . . . . 81 ILE CG1 . 27220 1 240 . 1 1 73 73 ILE CG2 C 13 17.50 0.05 . 1 . . . . . 81 ILE CG2 . 27220 1 241 . 1 1 73 73 ILE CD1 C 13 14.03 0.10 . 1 . . . . . 81 ILE CD1 . 27220 1 242 . 1 1 73 73 ILE N N 15 120.5 0.09 . 1 . . . . . 81 ILE N . 27220 1 243 . 1 1 74 74 LEU C C 13 177.0 0.09 . 1 . . . . . 82 LEU C . 27220 1 244 . 1 1 74 74 LEU CA C 13 58.01 0.09 . 1 . . . . . 82 LEU CA . 27220 1 245 . 1 1 74 74 LEU CB C 13 41.35 0.05 . 1 . . . . . 82 LEU CB . 27220 1 246 . 1 1 74 74 LEU N N 15 116.8 0.07 . 1 . . . . . 82 LEU N . 27220 1 247 . 1 1 75 75 TYR C C 13 177.1 0.08 . 1 . . . . . 83 TYR C . 27220 1 248 . 1 1 75 75 TYR CA C 13 61.97 0.11 . 1 . . . . . 83 TYR CA . 27220 1 249 . 1 1 75 75 TYR CB C 13 40.17 0.20 . 1 . . . . . 83 TYR CB . 27220 1 250 . 1 1 75 75 TYR CG C 13 130.4 0.10 . 1 . . . . . 83 TYR CG . 27220 1 251 . 1 1 75 75 TYR N N 15 120.8 0.12 . 1 . . . . . 83 TYR N . 27220 1 252 . 1 1 76 76 ILE C C 13 177.8 0.07 . 1 . . . . . 84 ILE C . 27220 1 253 . 1 1 76 76 ILE CA C 13 65.21 0.08 . 1 . . . . . 84 ILE CA . 27220 1 254 . 1 1 76 76 ILE CB C 13 38.10 0.09 . 1 . . . . . 84 ILE CB . 27220 1 255 . 1 1 76 76 ILE CG1 C 13 30.43 0.06 . 1 . . . . . 84 ILE CG1 . 27220 1 256 . 1 1 76 76 ILE CG2 C 13 16.96 0.08 . 1 . . . . . 84 ILE CG2 . 27220 1 257 . 1 1 76 76 ILE CD1 C 13 16.19 0.02 . 1 . . . . . 84 ILE CD1 . 27220 1 258 . 1 1 76 76 ILE N N 15 117.4 0.10 . 1 . . . . . 84 ILE N . 27220 1 259 . 1 1 77 77 PHE C C 13 178.1 0.05 . 1 . . . . . 85 PHE C . 27220 1 260 . 1 1 77 77 PHE CA C 13 61.00 0.09 . 1 . . . . . 85 PHE CA . 27220 1 261 . 1 1 77 77 PHE CB C 13 37.55 0.15 . 1 . . . . . 85 PHE CB . 27220 1 262 . 1 1 77 77 PHE N N 15 117.1 0.15 . 1 . . . . . 85 PHE N . 27220 1 263 . 1 1 78 78 ILE C C 13 177.7 0.11 . 1 . . . . . 86 ILE C . 27220 1 264 . 1 1 78 78 ILE CA C 13 65.50 0.13 . 1 . . . . . 86 ILE CA . 27220 1 265 . 1 1 78 78 ILE CB C 13 36.76 0.09 . 1 . . . . . 86 ILE CB . 27220 1 266 . 1 1 78 78 ILE CG1 C 13 29.30 0.05 . 1 . . . . . 86 ILE CG1 . 27220 1 267 . 1 1 78 78 ILE CG2 C 13 17.77 0.07 . 1 . . . . . 86 ILE CG2 . 27220 1 268 . 1 1 78 78 ILE CD1 C 13 13.39 0.04 . 1 . . . . . 86 ILE CD1 . 27220 1 269 . 1 1 78 78 ILE N N 15 119.6 0.15 . 1 . . . . . 86 ILE N . 27220 1 270 . 1 1 79 79 GLY C C 13 175.5 0.08 . 1 . . . . . 87 GLY C . 27220 1 271 . 1 1 79 79 GLY CA C 13 48.41 0.08 . 1 . . . . . 87 GLY CA . 27220 1 272 . 1 1 79 79 GLY N N 15 107.9 0.08 . 1 . . . . . 87 GLY N . 27220 1 273 . 1 1 80 80 ILE CA C 13 64.42 0.05 . 1 . . . . . 88 ILE CA . 27220 1 274 . 1 1 80 80 ILE CB C 13 37.33 0.03 . 1 . . . . . 88 ILE CB . 27220 1 275 . 1 1 80 80 ILE CG1 C 13 29.00 0.07 . 1 . . . . . 88 ILE CG1 . 27220 1 276 . 1 1 80 80 ILE CG2 C 13 17.83 0.08 . 1 . . . . . 88 ILE CG2 . 27220 1 277 . 1 1 80 80 ILE CD1 C 13 12.45 0.04 . 1 . . . . . 88 ILE CD1 . 27220 1 278 . 1 1 80 80 ILE N N 15 121.0 0.18 . 1 . . . . . 88 ILE N . 27220 1 279 . 1 1 81 81 GLY C C 13 175.5 0.11 . 1 . . . . . 89 GLY C . 27220 1 280 . 1 1 81 81 GLY CA C 13 48.17 0.10 . 1 . . . . . 89 GLY CA . 27220 1 281 . 1 1 81 81 GLY N N 15 107.8 0.01 . 1 . . . . . 89 GLY N . 27220 1 282 . 1 1 82 82 LEU C C 13 179.1 0.14 . 1 . . . . . 90 LEU C . 27220 1 283 . 1 1 82 82 LEU CA C 13 58.40 0.08 . 1 . . . . . 90 LEU CA . 27220 1 284 . 1 1 82 82 LEU CB C 13 41.76 0.04 . 1 . . . . . 90 LEU CB . 27220 1 285 . 1 1 82 82 LEU CG C 13 26.66 0.10 . 1 . . . . . 90 LEU CG . 27220 1 286 . 1 1 82 82 LEU N N 15 121.8 0.12 . 1 . . . . . 90 LEU N . 27220 1 stop_ save_