################################### # 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 19031 _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' . . . 19031 1 2 '2D NCA' . . . 19031 1 3 '3D NCACX' . . . 19031 1 4 '3D NCOCX' . . . 19031 1 5 '3D CANCX' . . . 19031 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 11 11 VAL C C 13 177.00 0.20 . 1 . . . . 29 VAL C . 19031 1 2 . 1 1 11 11 VAL CA C 13 65.67 0.20 . 1 . . . . 29 VAL CA . 19031 1 3 . 1 1 11 11 VAL CB C 13 31.57 0.20 . 1 . . . . 29 VAL CB . 19031 1 4 . 1 1 11 11 VAL CG1 C 13 22.66 0.20 . 2 . . . . 29 VAL CG1 . 19031 1 5 . 1 1 11 11 VAL CG2 C 13 20.74 0.20 . 2 . . . . 29 VAL CG2 . 19031 1 6 . 1 1 11 11 VAL N N 15 121.54 0.20 . 1 . . . . 29 VAL N . 19031 1 7 . 1 1 12 12 GLY C C 13 174.26 0.20 . 1 . . . . 30 GLY C . 19031 1 8 . 1 1 12 12 GLY CA C 13 45.31 0.20 . 1 . . . . 30 GLY CA . 19031 1 9 . 1 1 12 12 GLY N N 15 115.29 0.20 . 1 . . . . 30 GLY N . 19031 1 10 . 1 1 13 13 SER C C 13 173.35 0.20 . 1 . . . . 31 SER C . 19031 1 11 . 1 1 13 13 SER CA C 13 61.27 0.20 . 1 . . . . 31 SER CA . 19031 1 12 . 1 1 13 13 SER CB C 13 63.97 0.20 . 1 . . . . 31 SER CB . 19031 1 13 . 1 1 13 13 SER N N 15 117.56 0.20 . 1 . . . . 31 SER N . 19031 1 14 . 1 1 14 14 ARG C C 13 176.68 0.20 . 1 . . . . 32 ARG C . 19031 1 15 . 1 1 14 14 ARG CA C 13 52.97 0.20 . 1 . . . . 32 ARG CA . 19031 1 16 . 1 1 14 14 ARG CB C 13 28.81 0.20 . 1 . . . . 32 ARG CB . 19031 1 17 . 1 1 14 14 ARG CG C 13 25.09 0.20 . 1 . . . . 32 ARG CG . 19031 1 18 . 1 1 14 14 ARG CD C 13 40.86 0.20 . 1 . . . . 32 ARG CD . 19031 1 19 . 1 1 14 14 ARG N N 15 124.91 0.20 . 1 . . . . 32 ARG N . 19031 1 20 . 1 1 15 15 VAL C C 13 174.32 0.20 . 1 . . . . 33 VAL C . 19031 1 21 . 1 1 15 15 VAL CA C 13 58.13 0.20 . 1 . . . . 33 VAL CA . 19031 1 22 . 1 1 15 15 VAL CB C 13 37.68 0.20 . 1 . . . . 33 VAL CB . 19031 1 23 . 1 1 15 15 VAL CG1 C 13 23.39 0.20 . 2 . . . . 33 VAL CG1 . 19031 1 24 . 1 1 15 15 VAL CG2 C 13 17.95 0.20 . 2 . . . . 33 VAL CG2 . 19031 1 25 . 1 1 15 15 VAL N N 15 113.02 0.20 . 1 . . . . 33 VAL N . 19031 1 26 . 1 1 16 16 GLU CA C 13 54.01 0.20 . 1 . . . . 34 GLU CA . 19031 1 27 . 1 1 16 16 GLU N N 15 118.16 0.20 . 1 . . . . 34 GLU N . 19031 1 28 . 1 1 17 17 VAL C C 13 176.76 0.20 . 1 . . . . 35 VAL C . 19031 1 29 . 1 1 17 17 VAL CA C 13 62.79 0.20 . 1 . . . . 35 VAL CA . 19031 1 30 . 1 1 17 17 VAL CB C 13 32.49 0.20 . 1 . . . . 35 VAL CB . 19031 1 31 . 1 1 17 17 VAL CG1 C 13 21.97 0.20 . 2 . . . . 35 VAL CG1 . 19031 1 32 . 1 1 17 17 VAL CG2 C 13 21.13 0.20 . 2 . . . . 35 VAL CG2 . 19031 1 33 . 1 1 17 17 VAL N N 15 124.44 0.20 . 1 . . . . 35 VAL N . 19031 1 34 . 1 1 18 18 ILE C C 13 177.55 0.20 . 1 . . . . 36 ILE C . 19031 1 35 . 1 1 18 18 ILE CA C 13 63.97 0.20 . 1 . . . . 36 ILE CA . 19031 1 36 . 1 1 18 18 ILE CB C 13 38.47 0.20 . 1 . . . . 36 ILE CB . 19031 1 37 . 1 1 18 18 ILE CG1 C 13 28.94 0.20 . 1 . . . . 36 ILE CG1 . 19031 1 38 . 1 1 18 18 ILE CG2 C 13 17.23 0.20 . 1 . . . . 36 ILE CG2 . 19031 1 39 . 1 1 18 18 ILE CD1 C 13 13.91 0.20 . 1 . . . . 36 ILE CD1 . 19031 1 40 . 1 1 18 18 ILE N N 15 131.85 0.20 . 1 . . . . 36 ILE N . 19031 1 41 . 1 1 19 19 GLY N N 15 118.07 0.20 . 1 . . . . 37 GLY N . 19031 1 42 . 1 1 21 21 GLY C C 13 173.87 0.20 . 1 . . . . 39 GLY C . 19031 1 43 . 1 1 21 21 GLY CA C 13 46.39 0.20 . 1 . . . . 39 GLY CA . 19031 1 44 . 1 1 21 21 GLY N N 15 104.59 0.20 . 1 . . . . 39 GLY N . 19031 1 45 . 1 1 22 22 HIS C C 13 175.63 0.20 . 1 . . . . 40 HIS C . 19031 1 46 . 1 1 22 22 HIS CA C 13 55.58 0.20 . 1 . . . . 40 HIS CA . 19031 1 47 . 1 1 22 22 HIS CB C 13 31.58 0.20 . 1 . . . . 40 HIS CB . 19031 1 48 . 1 1 22 22 HIS N N 15 116.89 0.20 . 1 . . . . 40 HIS N . 19031 1 49 . 1 1 23 23 ARG C C 13 178.16 0.20 . 1 . . . . 41 ARG C . 19031 1 50 . 1 1 23 23 ARG CA C 13 55.47 0.20 . 1 . . . . 41 ARG CA . 19031 1 51 . 1 1 23 23 ARG CB C 13 32.46 0.20 . 1 . . . . 41 ARG CB . 19031 1 52 . 1 1 23 23 ARG CG C 13 29.01 0.20 . 1 . . . . 41 ARG CG . 19031 1 53 . 1 1 23 23 ARG CD C 13 43.96 0.20 . 1 . . . . 41 ARG CD . 19031 1 54 . 1 1 23 23 ARG N N 15 123.03 0.20 . 1 . . . . 41 ARG N . 19031 1 55 . 1 1 24 24 GLY C C 13 170.84 0.20 . 1 . . . . 42 GLY C . 19031 1 56 . 1 1 24 24 GLY CA C 13 47.34 0.20 . 1 . . . . 42 GLY CA . 19031 1 57 . 1 1 24 24 GLY N N 15 107.30 0.20 . 1 . . . . 42 GLY N . 19031 1 58 . 1 1 25 25 THR C C 13 174.39 0.20 . 1 . . . . 43 THR C . 19031 1 59 . 1 1 25 25 THR CA C 13 61.04 0.20 . 1 . . . . 43 THR CA . 19031 1 60 . 1 1 25 25 THR CB C 13 71.95 0.20 . 1 . . . . 43 THR CB . 19031 1 61 . 1 1 25 25 THR CG2 C 13 22.18 0.20 . 1 . . . . 43 THR CG2 . 19031 1 62 . 1 1 25 25 THR N N 15 117.53 0.20 . 1 . . . . 43 THR N . 19031 1 63 . 1 1 26 26 VAL C C 13 174.48 0.20 . 1 . . . . 44 VAL C . 19031 1 64 . 1 1 26 26 VAL CA C 13 65.46 0.20 . 1 . . . . 44 VAL CA . 19031 1 65 . 1 1 26 26 VAL CB C 13 31.61 0.20 . 1 . . . . 44 VAL CB . 19031 1 66 . 1 1 26 26 VAL CG1 C 13 24.56 0.20 . 2 . . . . 44 VAL CG1 . 19031 1 67 . 1 1 26 26 VAL CG2 C 13 22.72 0.20 . 2 . . . . 44 VAL CG2 . 19031 1 68 . 1 1 26 26 VAL N N 15 128.15 0.20 . 1 . . . . 44 VAL N . 19031 1 69 . 1 1 27 27 ALA C C 13 176.62 0.20 . 1 . . . . 45 ALA C . 19031 1 70 . 1 1 27 27 ALA CA C 13 51.32 0.20 . 1 . . . . 45 ALA CA . 19031 1 71 . 1 1 27 27 ALA CB C 13 22.42 0.20 . 1 . . . . 45 ALA CB . 19031 1 72 . 1 1 27 27 ALA N N 15 130.49 0.20 . 1 . . . . 45 ALA N . 19031 1 73 . 1 1 28 28 TYR C C 13 173.39 0.20 . 1 . . . . 46 TYR C . 19031 1 74 . 1 1 28 28 TYR CA C 13 58.28 0.20 . 1 . . . . 46 TYR CA . 19031 1 75 . 1 1 28 28 TYR CB C 13 43.35 0.20 . 1 . . . . 46 TYR CB . 19031 1 76 . 1 1 28 28 TYR N N 15 119.76 0.20 . 1 . . . . 46 TYR N . 19031 1 77 . 1 1 29 29 VAL C C 13 175.53 0.20 . 1 . . . . 47 VAL C . 19031 1 78 . 1 1 29 29 VAL CA C 13 61.95 0.20 . 1 . . . . 47 VAL CA . 19031 1 79 . 1 1 29 29 VAL CB C 13 35.31 0.20 . 1 . . . . 47 VAL CB . 19031 1 80 . 1 1 29 29 VAL CG1 C 13 21.77 0.20 . 2 . . . . 47 VAL CG1 . 19031 1 81 . 1 1 29 29 VAL N N 15 129.88 0.20 . 1 . . . . 47 VAL N . 19031 1 82 . 1 1 30 30 GLY C C 13 173.37 0.20 . 1 . . . . 48 GLY C . 19031 1 83 . 1 1 30 30 GLY CA C 13 45.58 0.20 . 1 . . . . 48 GLY CA . 19031 1 84 . 1 1 30 30 GLY N N 15 114.87 0.20 . 1 . . . . 48 GLY N . 19031 1 85 . 1 1 31 31 ALA C C 13 178.47 0.20 . 1 . . . . 49 ALA C . 19031 1 86 . 1 1 31 31 ALA CA C 13 52.35 0.20 . 1 . . . . 49 ALA CA . 19031 1 87 . 1 1 31 31 ALA CB C 13 19.99 0.20 . 1 . . . . 49 ALA CB . 19031 1 88 . 1 1 31 31 ALA N N 15 127.08 0.20 . 1 . . . . 49 ALA N . 19031 1 89 . 1 1 32 32 THR C C 13 171.95 0.20 . 1 . . . . 50 THR C . 19031 1 90 . 1 1 32 32 THR CA C 13 59.87 0.20 . 1 . . . . 50 THR CA . 19031 1 91 . 1 1 32 32 THR CB C 13 72.37 0.20 . 1 . . . . 50 THR CB . 19031 1 92 . 1 1 32 32 THR CG2 C 13 22.05 0.20 . 1 . . . . 50 THR CG2 . 19031 1 93 . 1 1 32 32 THR N N 15 113.08 0.20 . 1 . . . . 50 THR N . 19031 1 94 . 1 1 33 33 LEU C C 13 178.76 0.20 . 1 . . . . 51 LEU C . 19031 1 95 . 1 1 33 33 LEU CA C 13 55.10 0.20 . 1 . . . . 51 LEU CA . 19031 1 96 . 1 1 33 33 LEU CB C 13 43.56 0.20 . 1 . . . . 51 LEU CB . 19031 1 97 . 1 1 33 33 LEU CG C 13 27.37 0.20 . 1 . . . . 51 LEU CG . 19031 1 98 . 1 1 33 33 LEU CD1 C 13 26.78 0.20 . 1 . . . . 51 LEU CD1 . 19031 1 99 . 1 1 33 33 LEU CD2 C 13 24.69 0.20 . 1 . . . . 51 LEU CD2 . 19031 1 100 . 1 1 33 33 LEU N N 15 111.60 0.20 . 1 . . . . 51 LEU N . 19031 1 101 . 1 1 34 34 PHE C C 13 174.33 0.20 . 1 . . . . 52 PHE C . 19031 1 102 . 1 1 34 34 PHE CA C 13 57.02 0.20 . 1 . . . . 52 PHE CA . 19031 1 103 . 1 1 34 34 PHE CB C 13 38.19 0.20 . 1 . . . . 52 PHE CB . 19031 1 104 . 1 1 34 34 PHE N N 15 111.31 0.20 . 1 . . . . 52 PHE N . 19031 1 105 . 1 1 35 35 ALA C C 13 176.54 0.20 . 1 . . . . 53 ALA C . 19031 1 106 . 1 1 35 35 ALA CA C 13 52.03 0.20 . 1 . . . . 53 ALA CA . 19031 1 107 . 1 1 35 35 ALA CB C 13 22.03 0.20 . 1 . . . . 53 ALA CB . 19031 1 108 . 1 1 35 35 ALA N N 15 122.57 0.20 . 1 . . . . 53 ALA N . 19031 1 109 . 1 1 36 36 THR C C 13 177.03 0.20 . 1 . . . . 54 THR C . 19031 1 110 . 1 1 36 36 THR CA C 13 62.13 0.20 . 1 . . . . 54 THR CA . 19031 1 111 . 1 1 36 36 THR CB C 13 71.83 0.20 . 1 . . . . 54 THR CB . 19031 1 112 . 1 1 36 36 THR CG2 C 13 22.69 0.20 . 1 . . . . 54 THR CG2 . 19031 1 113 . 1 1 36 36 THR N N 15 108.75 0.20 . 1 . . . . 54 THR N . 19031 1 114 . 1 1 37 37 GLY C C 13 171.87 0.20 . 1 . . . . 55 GLY C . 19031 1 115 . 1 1 37 37 GLY CA C 13 45.32 0.20 . 1 . . . . 55 GLY CA . 19031 1 116 . 1 1 37 37 GLY N N 15 108.57 0.20 . 1 . . . . 55 GLY N . 19031 1 117 . 1 1 38 38 LYS C C 13 176.09 0.20 . 1 . . . . 56 LYS C . 19031 1 118 . 1 1 38 38 LYS CA C 13 57.29 0.20 . 1 . . . . 56 LYS CA . 19031 1 119 . 1 1 38 38 LYS CB C 13 33.34 0.20 . 1 . . . . 56 LYS CB . 19031 1 120 . 1 1 38 38 LYS CG C 13 25.71 0.20 . 1 . . . . 56 LYS CG . 19031 1 121 . 1 1 38 38 LYS CD C 13 29.77 0.20 . 1 . . . . 56 LYS CD . 19031 1 122 . 1 1 38 38 LYS CE C 13 42.33 0.20 . 1 . . . . 56 LYS CE . 19031 1 123 . 1 1 38 38 LYS N N 15 121.29 0.20 . 1 . . . . 56 LYS N . 19031 1 124 . 1 1 39 39 TRP C C 13 174.11 0.20 . 1 . . . . 57 TRP C . 19031 1 125 . 1 1 39 39 TRP CA C 13 57.05 0.20 . 1 . . . . 57 TRP CA . 19031 1 126 . 1 1 39 39 TRP CB C 13 34.04 0.20 . 1 . . . . 57 TRP CB . 19031 1 127 . 1 1 39 39 TRP CD2 C 13 127.18 0.20 . 1 . . . . 57 TRP CD2 . 19031 1 128 . 1 1 39 39 TRP N N 15 130.68 0.20 . 1 . . . . 57 TRP N . 19031 1 129 . 1 1 40 40 VAL C C 13 176.22 0.20 . 1 . . . . 58 VAL C . 19031 1 130 . 1 1 40 40 VAL CA C 13 61.45 0.20 . 1 . . . . 58 VAL CA . 19031 1 131 . 1 1 40 40 VAL CB C 13 33.50 0.20 . 1 . . . . 58 VAL CB . 19031 1 132 . 1 1 40 40 VAL CG1 C 13 23.18 0.20 . 2 . . . . 58 VAL CG1 . 19031 1 133 . 1 1 40 40 VAL CG2 C 13 20.80 0.20 . 2 . . . . 58 VAL CG2 . 19031 1 134 . 1 1 40 40 VAL N N 15 119.58 0.20 . 1 . . . . 58 VAL N . 19031 1 135 . 1 1 41 41 GLY C C 13 172.59 0.20 . 1 . . . . 59 GLY C . 19031 1 136 . 1 1 41 41 GLY CA C 13 45.49 0.20 . 1 . . . . 59 GLY CA . 19031 1 137 . 1 1 41 41 GLY N N 15 115.40 0.20 . 1 . . . . 59 GLY N . 19031 1 138 . 1 1 42 42 VAL C C 13 174.16 0.20 . 1 . . . . 60 VAL C . 19031 1 139 . 1 1 42 42 VAL CA C 13 60.72 0.20 . 1 . . . . 60 VAL CA . 19031 1 140 . 1 1 42 42 VAL CB C 13 35.42 0.20 . 1 . . . . 60 VAL CB . 19031 1 141 . 1 1 42 42 VAL CG1 C 13 22.23 0.20 . 2 . . . . 60 VAL CG1 . 19031 1 142 . 1 1 42 42 VAL N N 15 128.07 0.20 . 1 . . . . 60 VAL N . 19031 1 143 . 1 1 43 43 ILE C C 13 177.45 0.20 . 1 . . . . 61 ILE C . 19031 1 144 . 1 1 43 43 ILE CA C 13 60.73 0.20 . 1 . . . . 61 ILE CA . 19031 1 145 . 1 1 43 43 ILE CB C 13 39.01 0.20 . 1 . . . . 61 ILE CB . 19031 1 146 . 1 1 43 43 ILE CG1 C 13 28.73 0.20 . 1 . . . . 61 ILE CG1 . 19031 1 147 . 1 1 43 43 ILE CG2 C 13 18.00 0.20 . 1 . . . . 61 ILE CG2 . 19031 1 148 . 1 1 43 43 ILE CD1 C 13 14.86 0.20 . 1 . . . . 61 ILE CD1 . 19031 1 149 . 1 1 43 43 ILE N N 15 124.04 0.20 . 1 . . . . 61 ILE N . 19031 1 150 . 1 1 44 44 LEU C C 13 178.08 0.20 . 1 . . . . 62 LEU C . 19031 1 151 . 1 1 44 44 LEU CA C 13 55.38 0.20 . 1 . . . . 62 LEU CA . 19031 1 152 . 1 1 44 44 LEU CB C 13 41.73 0.20 . 1 . . . . 62 LEU CB . 19031 1 153 . 1 1 44 44 LEU CG C 13 27.04 0.20 . 1 . . . . 62 LEU CG . 19031 1 154 . 1 1 44 44 LEU CD1 C 13 22.42 0.20 . 2 . . . . 62 LEU CD1 . 19031 1 155 . 1 1 44 44 LEU N N 15 133.72 0.20 . 1 . . . . 62 LEU N . 19031 1 156 . 1 1 45 45 ASP C C 13 177.86 0.20 . 1 . . . . 63 ASP C . 19031 1 157 . 1 1 45 45 ASP CA C 13 57.36 0.20 . 1 . . . . 63 ASP CA . 19031 1 158 . 1 1 45 45 ASP CB C 13 39.93 0.20 . 1 . . . . 63 ASP CB . 19031 1 159 . 1 1 45 45 ASP CG C 13 179.84 0.20 . 1 . . . . 63 ASP CG . 19031 1 160 . 1 1 45 45 ASP N N 15 125.41 0.20 . 1 . . . . 63 ASP N . 19031 1 161 . 1 1 46 46 GLU C C 13 176.97 0.20 . 1 . . . . 64 GLU C . 19031 1 162 . 1 1 46 46 GLU CA C 13 54.41 0.20 . 1 . . . . 64 GLU CA . 19031 1 163 . 1 1 46 46 GLU CB C 13 33.40 0.20 . 1 . . . . 64 GLU CB . 19031 1 164 . 1 1 46 46 GLU CG C 13 37.56 0.20 . 1 . . . . 64 GLU CG . 19031 1 165 . 1 1 46 46 GLU CD C 13 184.41 0.20 . 1 . . . . 64 GLU CD . 19031 1 166 . 1 1 46 46 GLU N N 15 117.84 0.20 . 1 . . . . 64 GLU N . 19031 1 167 . 1 1 47 47 ALA C C 13 178.06 0.20 . 1 . . . . 65 ALA C . 19031 1 168 . 1 1 47 47 ALA CA C 13 50.99 0.20 . 1 . . . . 65 ALA CA . 19031 1 169 . 1 1 47 47 ALA CB C 13 15.69 0.20 . 1 . . . . 65 ALA CB . 19031 1 170 . 1 1 47 47 ALA N N 15 124.98 0.20 . 1 . . . . 65 ALA N . 19031 1 171 . 1 1 48 48 LYS C C 13 176.44 0.20 . 1 . . . . 66 LYS C . 19031 1 172 . 1 1 48 48 LYS CA C 13 53.51 0.20 . 1 . . . . 66 LYS CA . 19031 1 173 . 1 1 48 48 LYS CB C 13 33.17 0.20 . 1 . . . . 66 LYS CB . 19031 1 174 . 1 1 48 48 LYS CG C 13 25.24 0.20 . 1 . . . . 66 LYS CG . 19031 1 175 . 1 1 48 48 LYS CD C 13 28.52 0.20 . 1 . . . . 66 LYS CD . 19031 1 176 . 1 1 48 48 LYS CE C 13 42.52 0.20 . 1 . . . . 66 LYS CE . 19031 1 177 . 1 1 48 48 LYS N N 15 122.69 0.20 . 1 . . . . 66 LYS N . 19031 1 178 . 1 1 49 49 GLY C C 13 173.13 0.20 . 1 . . . . 67 GLY C . 19031 1 179 . 1 1 49 49 GLY CA C 13 44.06 0.20 . 1 . . . . 67 GLY CA . 19031 1 180 . 1 1 49 49 GLY N N 15 109.39 0.20 . 1 . . . . 67 GLY N . 19031 1 181 . 1 1 50 50 LYS C C 13 175.98 0.20 . 1 . . . . 68 LYS C . 19031 1 182 . 1 1 50 50 LYS CA C 13 56.83 0.20 . 1 . . . . 68 LYS CA . 19031 1 183 . 1 1 50 50 LYS CB C 13 36.84 0.20 . 1 . . . . 68 LYS CB . 19031 1 184 . 1 1 50 50 LYS CG C 13 25.46 0.20 . 1 . . . . 68 LYS CG . 19031 1 185 . 1 1 50 50 LYS CD C 13 29.00 0.20 . 1 . . . . 68 LYS CD . 19031 1 186 . 1 1 50 50 LYS CE C 13 41.94 0.20 . 1 . . . . 68 LYS CE . 19031 1 187 . 1 1 50 50 LYS N N 15 117.18 0.20 . 1 . . . . 68 LYS N . 19031 1 188 . 1 1 51 51 ASN C C 13 173.21 0.20 . 1 . . . . 69 ASN C . 19031 1 189 . 1 1 51 51 ASN CA C 13 54.05 0.20 . 1 . . . . 69 ASN CA . 19031 1 190 . 1 1 51 51 ASN CB C 13 40.99 0.20 . 1 . . . . 69 ASN CB . 19031 1 191 . 1 1 51 51 ASN CG C 13 175.52 0.20 . 1 . . . . 69 ASN CG . 19031 1 192 . 1 1 51 51 ASN N N 15 117.98 0.20 . 1 . . . . 69 ASN N . 19031 1 193 . 1 1 52 52 ASP C C 13 178.65 0.20 . 1 . . . . 70 ASP C . 19031 1 194 . 1 1 52 52 ASP CA C 13 52.90 0.20 . 1 . . . . 70 ASP CA . 19031 1 195 . 1 1 52 52 ASP CB C 13 40.83 0.20 . 1 . . . . 70 ASP CB . 19031 1 196 . 1 1 52 52 ASP CG C 13 182.07 0.20 . 1 . . . . 70 ASP CG . 19031 1 197 . 1 1 52 52 ASP N N 15 119.49 0.20 . 1 . . . . 70 ASP N . 19031 1 198 . 1 1 53 53 GLY C C 13 174.63 0.20 . 1 . . . . 71 GLY C . 19031 1 199 . 1 1 53 53 GLY CA C 13 44.24 0.20 . 1 . . . . 71 GLY CA . 19031 1 200 . 1 1 53 53 GLY N N 15 112.62 0.20 . 1 . . . . 71 GLY N . 19031 1 201 . 1 1 54 54 THR C C 13 174.68 0.20 . 1 . . . . 72 THR C . 19031 1 202 . 1 1 54 54 THR CA C 13 61.49 0.20 . 1 . . . . 72 THR CA . 19031 1 203 . 1 1 54 54 THR CB C 13 69.23 0.20 . 1 . . . . 72 THR CB . 19031 1 204 . 1 1 54 54 THR CG2 C 13 19.94 0.20 . 1 . . . . 72 THR CG2 . 19031 1 205 . 1 1 54 54 THR N N 15 117.98 0.20 . 1 . . . . 72 THR N . 19031 1 206 . 1 1 55 55 VAL C C 13 176.72 0.20 . 1 . . . . 73 VAL C . 19031 1 207 . 1 1 55 55 VAL CA C 13 61.61 0.20 . 1 . . . . 73 VAL CA . 19031 1 208 . 1 1 55 55 VAL CB C 13 36.51 0.20 . 1 . . . . 73 VAL CB . 19031 1 209 . 1 1 55 55 VAL CG1 C 13 22.44 0.20 . 2 . . . . 73 VAL CG1 . 19031 1 210 . 1 1 55 55 VAL CG2 C 13 21.67 0.20 . 2 . . . . 73 VAL CG2 . 19031 1 211 . 1 1 55 55 VAL N N 15 123.47 0.20 . 1 . . . . 73 VAL N . 19031 1 212 . 1 1 56 56 GLN C C 13 176.09 0.20 . 1 . . . . 74 GLN C . 19031 1 213 . 1 1 56 56 GLN CA C 13 56.83 0.20 . 1 . . . . 74 GLN CA . 19031 1 214 . 1 1 56 56 GLN CB C 13 26.68 0.20 . 1 . . . . 74 GLN CB . 19031 1 215 . 1 1 56 56 GLN CG C 13 34.11 0.20 . 1 . . . . 74 GLN CG . 19031 1 216 . 1 1 56 56 GLN CD C 13 180.72 0.20 . 1 . . . . 74 GLN CD . 19031 1 217 . 1 1 56 56 GLN N N 15 130.01 0.20 . 1 . . . . 74 GLN N . 19031 1 218 . 1 1 57 57 GLY C C 13 173.55 0.20 . 1 . . . . 75 GLY C . 19031 1 219 . 1 1 57 57 GLY CA C 13 45.56 0.20 . 1 . . . . 75 GLY CA . 19031 1 220 . 1 1 57 57 GLY N N 15 103.65 0.20 . 1 . . . . 75 GLY N . 19031 1 221 . 1 1 58 58 ARG C C 13 172.58 0.20 . 1 . . . . 76 ARG C . 19031 1 222 . 1 1 58 58 ARG CA C 13 54.56 0.20 . 1 . . . . 76 ARG CA . 19031 1 223 . 1 1 58 58 ARG CB C 13 31.41 0.20 . 1 . . . . 76 ARG CB . 19031 1 224 . 1 1 58 58 ARG CG C 13 28.62 0.20 . 1 . . . . 76 ARG CG . 19031 1 225 . 1 1 58 58 ARG CD C 13 42.90 0.20 . 1 . . . . 76 ARG CD . 19031 1 226 . 1 1 58 58 ARG N N 15 122.12 0.20 . 1 . . . . 76 ARG N . 19031 1 227 . 1 1 59 59 LYS C C 13 175.81 0.20 . 1 . . . . 77 LYS C . 19031 1 228 . 1 1 59 59 LYS CA C 13 56.35 0.20 . 1 . . . . 77 LYS CA . 19031 1 229 . 1 1 59 59 LYS CB C 13 32.23 0.20 . 1 . . . . 77 LYS CB . 19031 1 230 . 1 1 59 59 LYS CG C 13 24.49 0.20 . 1 . . . . 77 LYS CG . 19031 1 231 . 1 1 59 59 LYS CD C 13 29.40 0.20 . 1 . . . . 77 LYS CD . 19031 1 232 . 1 1 59 59 LYS CE C 13 41.62 0.20 . 1 . . . . 77 LYS CE . 19031 1 233 . 1 1 59 59 LYS N N 15 128.35 0.20 . 1 . . . . 77 LYS N . 19031 1 234 . 1 1 60 60 TYR C C 13 175.72 0.20 . 1 . . . . 78 TYR C . 19031 1 235 . 1 1 60 60 TYR CA C 13 61.21 0.20 . 1 . . . . 78 TYR CA . 19031 1 236 . 1 1 60 60 TYR CB C 13 39.65 0.20 . 1 . . . . 78 TYR CB . 19031 1 237 . 1 1 60 60 TYR CG C 13 130.83 0.20 . 1 . . . . 78 TYR CG . 19031 1 238 . 1 1 60 60 TYR CD1 C 13 133.78 0.20 . 2 . . . . 78 TYR CD1 . 19031 1 239 . 1 1 60 60 TYR CE1 C 13 117.50 0.20 . 2 . . . . 78 TYR CE . 19031 1 240 . 1 1 60 60 TYR CE2 C 13 117.50 0.20 . 2 . . . . 78 TYR CE . 19031 1 241 . 1 1 60 60 TYR N N 15 128.97 0.20 . 1 . . . . 78 TYR N . 19031 1 242 . 1 1 61 61 PHE C C 13 172.78 0.20 . 1 . . . . 79 PHE C . 19031 1 243 . 1 1 61 61 PHE CA C 13 56.04 0.20 . 1 . . . . 79 PHE CA . 19031 1 244 . 1 1 61 61 PHE CB C 13 38.94 0.20 . 1 . . . . 79 PHE CB . 19031 1 245 . 1 1 61 61 PHE CG C 13 138.16 0.20 . 1 . . . . 79 PHE CG . 19031 1 246 . 1 1 61 61 PHE CD1 C 13 131.13 0.20 . 2 . . . . 79 PHE CD1 . 19031 1 247 . 1 1 61 61 PHE N N 15 114.12 0.20 . 1 . . . . 79 PHE N . 19031 1 248 . 1 1 62 62 THR C C 13 172.97 0.20 . 1 . . . . 80 THR C . 19031 1 249 . 1 1 62 62 THR CA C 13 63.06 0.20 . 1 . . . . 80 THR CA . 19031 1 250 . 1 1 62 62 THR CB C 13 71.09 0.20 . 1 . . . . 80 THR CB . 19031 1 251 . 1 1 62 62 THR CG2 C 13 21.69 0.20 . 1 . . . . 80 THR CG2 . 19031 1 252 . 1 1 62 62 THR N N 15 115.63 0.20 . 1 . . . . 80 THR N . 19031 1 253 . 1 1 63 63 CYS C C 13 172.03 0.20 . 1 . . . . 81 CYS C . 19031 1 254 . 1 1 63 63 CYS CA C 13 56.27 0.20 . 1 . . . . 81 CYS CA . 19031 1 255 . 1 1 63 63 CYS CB C 13 31.93 0.20 . 1 . . . . 81 CYS CB . 19031 1 256 . 1 1 63 63 CYS N N 15 121.30 0.20 . 1 . . . . 81 CYS N . 19031 1 257 . 1 1 64 64 ASP C C 13 176.88 0.20 . 1 . . . . 82 ASP C . 19031 1 258 . 1 1 64 64 ASP CA C 13 54.53 0.20 . 1 . . . . 82 ASP CA . 19031 1 259 . 1 1 64 64 ASP CB C 13 41.40 0.20 . 1 . . . . 82 ASP CB . 19031 1 260 . 1 1 64 64 ASP CG C 13 180.15 0.20 . 1 . . . . 82 ASP CG . 19031 1 261 . 1 1 64 64 ASP N N 15 118.32 0.20 . 1 . . . . 82 ASP N . 19031 1 262 . 1 1 65 65 GLU C C 13 177.90 0.20 . 1 . . . . 83 GLU C . 19031 1 263 . 1 1 65 65 GLU CA C 13 58.61 0.20 . 1 . . . . 83 GLU CA . 19031 1 264 . 1 1 65 65 GLU CB C 13 29.97 0.20 . 1 . . . . 83 GLU CB . 19031 1 265 . 1 1 65 65 GLU CG C 13 36.03 0.20 . 1 . . . . 83 GLU CG . 19031 1 266 . 1 1 65 65 GLU N N 15 121.20 0.20 . 1 . . . . 83 GLU N . 19031 1 267 . 1 1 66 66 GLY C C 13 174.47 0.20 . 1 . . . . 84 GLY C . 19031 1 268 . 1 1 66 66 GLY CA C 13 45.42 0.20 . 1 . . . . 84 GLY CA . 19031 1 269 . 1 1 66 66 GLY N N 15 112.95 0.20 . 1 . . . . 84 GLY N . 19031 1 270 . 1 1 67 67 HIS C C 13 173.99 0.20 . 1 . . . . 85 HIS C . 19031 1 271 . 1 1 67 67 HIS CA C 13 56.71 0.20 . 1 . . . . 85 HIS CA . 19031 1 272 . 1 1 67 67 HIS CB C 13 29.17 0.20 . 1 . . . . 85 HIS CB . 19031 1 273 . 1 1 67 67 HIS CG C 13 132.17 0.20 . 1 . . . . 85 HIS CG . 19031 1 274 . 1 1 67 67 HIS CD2 C 13 121.95 0.20 . 1 . . . . 85 HIS CD2 . 19031 1 275 . 1 1 67 67 HIS N N 15 114.46 0.20 . 1 . . . . 85 HIS N . 19031 1 276 . 1 1 68 68 GLY C C 13 174.50 0.20 . 1 . . . . 86 GLY C . 19031 1 277 . 1 1 68 68 GLY CA C 13 45.11 0.20 . 1 . . . . 86 GLY CA . 19031 1 278 . 1 1 68 68 GLY N N 15 112.45 0.20 . 1 . . . . 86 GLY N . 19031 1 279 . 1 1 69 69 ILE C C 13 171.25 0.20 . 1 . . . . 87 ILE C . 19031 1 280 . 1 1 69 69 ILE CA C 13 60.96 0.20 . 1 . . . . 87 ILE CA . 19031 1 281 . 1 1 69 69 ILE CB C 13 43.93 0.20 . 1 . . . . 87 ILE CB . 19031 1 282 . 1 1 69 69 ILE CG1 C 13 28.84 0.20 . 1 . . . . 87 ILE CG1 . 19031 1 283 . 1 1 69 69 ILE CG2 C 13 15.94 0.20 . 1 . . . . 87 ILE CG2 . 19031 1 284 . 1 1 69 69 ILE CD1 C 13 14.72 0.20 . 1 . . . . 87 ILE CD1 . 19031 1 285 . 1 1 69 69 ILE N N 15 121.61 0.20 . 1 . . . . 87 ILE N . 19031 1 286 . 1 1 70 70 PHE C C 13 175.55 0.20 . 1 . . . . 88 PHE C . 19031 1 287 . 1 1 70 70 PHE CA C 13 57.44 0.20 . 1 . . . . 88 PHE CA . 19031 1 288 . 1 1 70 70 PHE CB C 13 42.52 0.20 . 1 . . . . 88 PHE CB . 19031 1 289 . 1 1 70 70 PHE N N 15 126.83 0.20 . 1 . . . . 88 PHE N . 19031 1 290 . 1 1 71 71 VAL C C 13 175.92 0.20 . 1 . . . . 89 VAL C . 19031 1 291 . 1 1 71 71 VAL CA C 13 58.85 0.20 . 1 . . . . 89 VAL CA . 19031 1 292 . 1 1 71 71 VAL CB C 13 37.05 0.20 . 1 . . . . 89 VAL CB . 19031 1 293 . 1 1 71 71 VAL CG1 C 13 23.51 0.20 . 2 . . . . 89 VAL CG1 . 19031 1 294 . 1 1 71 71 VAL CG2 C 13 18.74 0.20 . 2 . . . . 89 VAL CG2 . 19031 1 295 . 1 1 71 71 VAL N N 15 112.15 0.20 . 1 . . . . 89 VAL N . 19031 1 296 . 1 1 72 72 ARG C C 13 178.96 0.20 . 1 . . . . 90 ARG C . 19031 1 297 . 1 1 72 72 ARG CA C 13 53.66 0.20 . 1 . . . . 90 ARG CA . 19031 1 298 . 1 1 72 72 ARG CB C 13 31.50 0.20 . 1 . . . . 90 ARG CB . 19031 1 299 . 1 1 72 72 ARG CG C 13 25.72 0.20 . 1 . . . . 90 ARG CG . 19031 1 300 . 1 1 72 72 ARG CD C 13 42.20 0.20 . 1 . . . . 90 ARG CD . 19031 1 301 . 1 1 72 72 ARG N N 15 118.04 0.20 . 1 . . . . 90 ARG N . 19031 1 302 . 1 1 73 73 GLN C C 13 176.93 0.20 . 1 . . . . 91 GLN C . 19031 1 303 . 1 1 73 73 GLN CA C 13 59.52 0.20 . 1 . . . . 91 GLN CA . 19031 1 304 . 1 1 73 73 GLN CB C 13 27.96 0.20 . 1 . . . . 91 GLN CB . 19031 1 305 . 1 1 73 73 GLN CG C 13 33.79 0.20 . 1 . . . . 91 GLN CG . 19031 1 306 . 1 1 73 73 GLN CD C 13 179.55 0.20 . 1 . . . . 91 GLN CD . 19031 1 307 . 1 1 73 73 GLN N N 15 122.03 0.20 . 1 . . . . 91 GLN N . 19031 1 308 . 1 1 74 74 SER C C 13 175.86 0.20 . 1 . . . . 92 SER C . 19031 1 309 . 1 1 74 74 SER CA C 13 59.73 0.20 . 1 . . . . 92 SER CA . 19031 1 310 . 1 1 74 74 SER CB C 13 62.74 0.20 . 1 . . . . 92 SER CB . 19031 1 311 . 1 1 74 74 SER N N 15 110.84 0.20 . 1 . . . . 92 SER N . 19031 1 312 . 1 1 75 75 GLN C C 13 175.18 0.20 . 1 . . . . 93 GLN C . 19031 1 313 . 1 1 75 75 GLN CA C 13 55.94 0.20 . 1 . . . . 93 GLN CA . 19031 1 314 . 1 1 75 75 GLN CB C 13 30.37 0.20 . 1 . . . . 93 GLN CB . 19031 1 315 . 1 1 75 75 GLN CG C 13 35.42 0.20 . 1 . . . . 93 GLN CG . 19031 1 316 . 1 1 75 75 GLN N N 15 119.28 0.20 . 1 . . . . 93 GLN N . 19031 1 317 . 1 1 76 76 ILE CA C 13 58.09 0.20 . 1 . . . . 94 ILE CA . 19031 1 318 . 1 1 76 76 ILE CB C 13 41.66 0.20 . 1 . . . . 94 ILE CB . 19031 1 319 . 1 1 76 76 ILE CG1 C 13 25.79 0.20 . 1 . . . . 94 ILE CG1 . 19031 1 320 . 1 1 76 76 ILE CG2 C 13 19.48 0.20 . 1 . . . . 94 ILE CG2 . 19031 1 321 . 1 1 76 76 ILE N N 15 114.73 0.20 . 1 . . . . 94 ILE N . 19031 1 322 . 1 1 78 78 VAL CB C 13 32.96 0.20 . 1 . . . . 96 VAL CB . 19031 1 323 . 1 1 78 78 VAL CG1 C 13 21.57 0.20 . 2 . . . . 96 VAL CG1 . 19031 1 stop_ save_