################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53014 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name A25T _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 $chem_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 '3D HNCA' . . . 53014 1 2 '3D HN(CO)CA' . . . 53014 1 3 '2D 1H-15N TROSY' . . . 53014 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53014 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 3 3 PRO CA C 13 63.0 0.1 . 1 . . . . . 2 P CA . 53014 1 2 . 1 . 1 4 4 THR H H 1 8.27 0.01 . 1 . . . . . 3 T H . 53014 1 3 . 1 . 1 4 4 THR CA C 13 61.6 0.1 . 1 . . . . . 3 T CA . 53014 1 4 . 1 . 1 4 4 THR N N 15 114.33 0.05 . 1 . . . . . 3 T N . 53014 1 5 . 1 . 1 5 5 GLY H H 1 8.35 0.01 . 1 . . . . . 4 G H . 53014 1 6 . 1 . 1 5 5 GLY CA C 13 45.1 0.1 . 1 . . . . . 4 G CA . 53014 1 7 . 1 . 1 5 5 GLY N N 15 111.60 0.05 . 1 . . . . . 4 G N . 53014 1 8 . 1 . 1 6 6 THR H H 1 8.12 0.01 . 1 . . . . . 5 T H . 53014 1 9 . 1 . 1 6 6 THR CA C 13 61.6 0.1 . 1 . . . . . 5 T CA . 53014 1 10 . 1 . 1 6 6 THR N N 15 113.54 0.05 . 1 . . . . . 5 T N . 53014 1 11 . 1 . 1 7 7 GLY H H 1 8.43 0.01 . 1 . . . . . 6 G H . 53014 1 12 . 1 . 1 7 7 GLY CA C 13 45.0 0.1 . 1 . . . . . 6 G CA . 53014 1 13 . 1 . 1 7 7 GLY N N 15 111.59 0.05 . 1 . . . . . 6 G N . 53014 1 14 . 1 . 1 8 8 GLU H H 1 8.20 0.01 . 1 . . . . . 7 E H . 53014 1 15 . 1 . 1 8 8 GLU CA C 13 56.1 0.1 . 1 . . . . . 7 E CA . 53014 1 16 . 1 . 1 8 8 GLU N N 15 121.19 0.05 . 1 . . . . . 7 E N . 53014 1 17 . 1 . 1 9 9 SER H H 1 8.34 0.01 . 1 . . . . . 8 S H . 53014 1 18 . 1 . 1 9 9 SER CA C 13 58.1 0.1 . 1 . . . . . 8 S CA . 53014 1 19 . 1 . 1 9 9 SER N N 15 117.62 0.05 . 1 . . . . . 8 S N . 53014 1 20 . 1 . 1 10 10 LYS H H 1 8.43 0.01 . 1 . . . . . 9 K H . 53014 1 21 . 1 . 1 10 10 LYS CA C 13 55.3 0.1 . 1 . . . . . 9 K CA . 53014 1 22 . 1 . 1 10 10 LYS N N 15 123.79 0.05 . 1 . . . . . 9 K N . 53014 1 23 . 1 . 1 11 11 CYS H H 1 8.23 0.01 . 1 . . . . . 10 C H . 53014 1 24 . 1 . 1 11 11 CYS CA C 13 55.6 0.1 . 1 . . . . . 10 C CA . 53014 1 25 . 1 . 1 11 11 CYS N N 15 122.67 0.05 . 1 . . . . . 10 C N . 53014 1 26 . 1 . 1 12 12 PRO CA C 13 64.0 0.1 . 1 . . . . . 11 P CA . 53014 1 27 . 1 . 1 13 13 LEU H H 1 6.98 0.01 . 1 . . . . . 12 L H . 53014 1 28 . 1 . 1 13 13 LEU CA C 13 53.5 0.1 . 1 . . . . . 12 L CA . 53014 1 29 . 1 . 1 13 13 LEU N N 15 121.01 0.05 . 1 . . . . . 12 L N . 53014 1 30 . 1 . 1 29 29 VAL CA C 13 61.3 0.1 . 1 . . . . . 28 V CA . 53014 1 31 . 1 . 1 30 30 ALA H H 1 8.91 0.01 . 1 . . . . . 29 A H . 53014 1 32 . 1 . 1 30 30 ALA CA C 13 52.4 0.1 . 1 . . . . . 29 A CA . 53014 1 33 . 1 . 1 30 30 ALA N N 15 130.75 0.05 . 1 . . . . . 29 A N . 53014 1 34 . 1 . 1 31 31 VAL H H 1 8.34 0.01 . 1 . . . . . 30 V H . 53014 1 35 . 1 . 1 31 31 VAL CA C 13 60.2 0.1 . 1 . . . . . 30 V CA . 53014 1 36 . 1 . 1 31 31 VAL N N 15 122.33 0.05 . 1 . . . . . 30 V N . 53014 1 37 . 1 . 1 32 32 HIS H H 1 9.02 0.01 . 1 . . . . . 31 H H . 53014 1 38 . 1 . 1 32 32 HIS CA C 13 54.8 0.1 . 1 . . . . . 31 H CA . 53014 1 39 . 1 . 1 32 32 HIS N N 15 124.60 0.05 . 1 . . . . . 31 H N . 53014 1 40 . 1 . 1 33 33 VAL H H 1 9.22 0.01 . 1 . . . . . 32 V H . 53014 1 41 . 1 . 1 33 33 VAL CA C 13 59.5 0.1 . 1 . . . . . 32 V CA . 53014 1 42 . 1 . 1 33 33 VAL N N 15 122.09 0.05 . 1 . . . . . 32 V N . 53014 1 43 . 1 . 1 34 34 PHE H H 1 9.96 0.01 . 1 . . . . . 33 F H . 53014 1 44 . 1 . 1 34 34 PHE CA C 13 55.9 0.1 . 1 . . . . . 33 F CA . 53014 1 45 . 1 . 1 34 34 PHE N N 15 128.95 0.05 . 1 . . . . . 33 F N . 53014 1 46 . 1 . 1 35 35 ARG H H 1 9.53 0.01 . 1 . . . . . 34 R H . 53014 1 47 . 1 . 1 35 35 ARG CA C 13 53.9 0.1 . 1 . . . . . 34 R CA . 53014 1 48 . 1 . 1 35 35 ARG N N 15 123.13 0.05 . 1 . . . . . 34 R N . 53014 1 49 . 1 . 1 36 36 LYS H H 1 8.63 0.01 . 1 . . . . . 35 K H . 53014 1 50 . 1 . 1 36 36 LYS CA C 13 57.0 0.1 . 1 . . . . . 35 K CA . 53014 1 51 . 1 . 1 36 36 LYS N N 15 130.83 0.05 . 1 . . . . . 35 K N . 53014 1 52 . 1 . 1 37 37 ALA H H 1 8.84 0.01 . 1 . . . . . 36 A H . 53014 1 53 . 1 . 1 37 37 ALA CA C 13 50.5 0.1 . 1 . . . . . 36 A CA . 53014 1 54 . 1 . 1 37 37 ALA N N 15 131.89 0.05 . 1 . . . . . 36 A N . 53014 1 55 . 1 . 1 38 38 ALA H H 1 8.43 0.01 . 1 . . . . . 37 A H . 53014 1 56 . 1 . 1 38 38 ALA CA C 13 53.8 0.1 . 1 . . . . . 37 A CA . 53014 1 57 . 1 . 1 38 38 ALA N N 15 122.83 0.05 . 1 . . . . . 37 A N . 53014 1 58 . 1 . 1 39 39 ASP H H 1 7.72 0.01 . 1 . . . . . 38 D H . 53014 1 59 . 1 . 1 39 39 ASP CA C 13 52.8 0.1 . 1 . . . . . 38 D CA . 53014 1 60 . 1 . 1 39 39 ASP N N 15 116.19 0.05 . 1 . . . . . 38 D N . 53014 1 61 . 1 . 1 40 40 ASP H H 1 7.93 0.01 . 1 . . . . . 39 D H . 53014 1 62 . 1 . 1 40 40 ASP CA C 13 55.9 0.1 . 1 . . . . . 39 D CA . 53014 1 63 . 1 . 1 40 40 ASP N N 15 113.46 0.05 . 1 . . . . . 39 D N . 53014 1 64 . 1 . 1 41 41 THR H H 1 7.28 0.01 . 1 . . . . . 40 T H . 53014 1 65 . 1 . 1 41 41 THR CA C 13 61.2 0.1 . 1 . . . . . 40 T CA . 53014 1 66 . 1 . 1 41 41 THR N N 15 111.17 0.05 . 1 . . . . . 40 T N . 53014 1 67 . 1 . 1 42 42 TRP H H 1 8.43 0.01 . 1 . . . . . 41 W H . 53014 1 68 . 1 . 1 42 42 TRP CA C 13 55.3 0.1 . 1 . . . . . 41 W CA . 53014 1 69 . 1 . 1 42 42 TRP N N 15 120.48 0.05 . 1 . . . . . 41 W N . 53014 1 70 . 1 . 1 43 43 GLU H H 1 9.23 0.01 . 1 . . . . . 42 E H . 53014 1 71 . 1 . 1 43 43 GLU CA C 13 52.8 0.1 . 1 . . . . . 42 E CA . 53014 1 72 . 1 . 1 43 43 GLU N N 15 127.13 0.05 . 1 . . . . . 42 E N . 53014 1 73 . 1 . 1 44 44 PRO CA C 13 64.5 0.1 . 1 . . . . . 43 P CA . 53014 1 74 . 1 . 1 45 45 PHE H H 1 8.85 0.01 . 1 . . . . . 44 F H . 53014 1 75 . 1 . 1 45 45 PHE CA C 13 58.8 0.1 . 1 . . . . . 44 F CA . 53014 1 76 . 1 . 1 45 45 PHE N N 15 125.74 0.05 . 1 . . . . . 44 F N . 53014 1 77 . 1 . 1 46 46 ALA H H 1 7.93 0.01 . 1 . . . . . 45 A H . 53014 1 78 . 1 . 1 46 46 ALA CA C 13 52.0 0.1 . 1 . . . . . 45 A CA . 53014 1 79 . 1 . 1 46 46 ALA N N 15 119.32 0.05 . 1 . . . . . 45 A N . 53014 1 80 . 1 . 1 47 47 SER H H 1 8.58 0.01 . 1 . . . . . 46 S H . 53014 1 81 . 1 . 1 47 47 SER CA C 13 57.5 0.1 . 1 . . . . . 46 S CA . 53014 1 82 . 1 . 1 47 47 SER N N 15 113.79 0.05 . 1 . . . . . 46 S N . 53014 1 83 . 1 . 1 48 48 GLY H H 1 8.42 0.01 . 1 . . . . . 47 G H . 53014 1 84 . 1 . 1 48 48 GLY CA C 13 45.3 0.1 . 1 . . . . . 47 G CA . 53014 1 85 . 1 . 1 48 48 GLY N N 15 107.24 0.05 . 1 . . . . . 47 G N . 53014 1 86 . 1 . 1 49 49 LYS H H 1 8.51 0.01 . 1 . . . . . 48 K H . 53014 1 87 . 1 . 1 49 49 LYS CA C 13 53.4 0.1 . 1 . . . . . 48 K CA . 53014 1 88 . 1 . 1 49 49 LYS N N 15 120.59 0.05 . 1 . . . . . 48 K N . 53014 1 89 . 1 . 1 50 50 THR H H 1 8.62 0.01 . 1 . . . . . 49 T H . 53014 1 90 . 1 . 1 50 50 THR CA C 13 62.0 0.1 . 1 . . . . . 49 T CA . 53014 1 91 . 1 . 1 50 50 THR N N 15 112.07 0.05 . 1 . . . . . 49 T N . 53014 1 92 . 1 . 1 61 61 THR H H 1 8.49 0.01 . 1 . . . . . 60 T H . 53014 1 93 . 1 . 1 61 61 THR CA C 13 59.2 0.1 . 1 . . . . . 60 T CA . 53014 1 94 . 1 . 1 61 61 THR N N 15 112.38 0.05 . 1 . . . . . 60 T N . 53014 1 95 . 1 . 1 62 62 GLU H H 1 9.08 0.01 . 1 . . . . . 61 E H . 53014 1 96 . 1 . 1 62 62 GLU CA C 13 59.5 0.1 . 1 . . . . . 61 E CA . 53014 1 97 . 1 . 1 62 62 GLU N N 15 121.37 0.05 . 1 . . . . . 61 E N . 53014 1 98 . 1 . 1 63 63 GLU H H 1 8.67 0.01 . 1 . . . . . 62 E H . 53014 1 99 . 1 . 1 63 63 GLU CA C 13 59.0 0.1 . 1 . . . . . 62 E CA . 53014 1 100 . 1 . 1 63 63 GLU N N 15 116.66 0.05 . 1 . . . . . 62 E N . 53014 1 101 . 1 . 1 64 64 GLU H H 1 7.22 0.01 . 1 . . . . . 63 E H . 53014 1 102 . 1 . 1 64 64 GLU CA C 13 56.6 0.1 . 1 . . . . . 63 E CA . 53014 1 103 . 1 . 1 64 64 GLU N N 15 115.99 0.05 . 1 . . . . . 63 E N . 53014 1 104 . 1 . 1 65 65 PHE H H 1 7.86 0.01 . 1 . . . . . 64 F H . 53014 1 105 . 1 . 1 65 65 PHE CA C 13 54.7 0.1 . 1 . . . . . 64 F CA . 53014 1 106 . 1 . 1 65 65 PHE N N 15 124.22 0.05 . 1 . . . . . 64 F N . 53014 1 107 . 1 . 1 66 66 VAL H H 1 7.13 0.01 . 1 . . . . . 65 V H . 53014 1 108 . 1 . 1 66 66 VAL CA C 13 59.9 0.1 . 1 . . . . . 65 V CA . 53014 1 109 . 1 . 1 66 66 VAL N N 15 115.62 0.05 . 1 . . . . . 65 V N . 53014 1 110 . 1 . 1 67 67 GLU H H 1 8.61 0.01 . 1 . . . . . 66 E H . 53014 1 111 . 1 . 1 67 67 GLU CA C 13 56.5 0.1 . 1 . . . . . 66 E CA . 53014 1 112 . 1 . 1 67 67 GLU N N 15 122.24 0.05 . 1 . . . . . 66 E N . 53014 1 113 . 1 . 1 68 68 GLY H H 1 7.93 0.01 . 1 . . . . . 67 G H . 53014 1 114 . 1 . 1 68 68 GLY CA C 13 44.3 0.1 . 1 . . . . . 67 G CA . 53014 1 115 . 1 . 1 68 68 GLY N N 15 111.80 0.05 . 1 . . . . . 67 G N . 53014 1 116 . 1 . 1 69 69 ILE H H 1 8.34 0.01 . 1 . . . . . 68 I H . 53014 1 117 . 1 . 1 69 69 ILE CA C 13 60.6 0.1 . 1 . . . . . 68 I CA . 53014 1 118 . 1 . 1 69 69 ILE N N 15 121.01 0.05 . 1 . . . . . 68 I N . 53014 1 119 . 1 . 1 70 70 TYR H H 1 8.65 0.01 . 1 . . . . . 69 Y H . 53014 1 120 . 1 . 1 70 70 TYR CA C 13 55.9 0.1 . 1 . . . . . 69 Y CA . 53014 1 121 . 1 . 1 70 70 TYR N N 15 125.34 0.05 . 1 . . . . . 69 Y N . 53014 1 122 . 1 . 1 71 71 LYS H H 1 8.69 0.01 . 1 . . . . . 70 K H . 53014 1 123 . 1 . 1 71 71 LYS CA C 13 53.2 0.1 . 1 . . . . . 70 K CA . 53014 1 124 . 1 . 1 71 71 LYS N N 15 119.10 0.05 . 1 . . . . . 70 K N . 53014 1 125 . 1 . 1 72 72 VAL H H 1 9.59 0.01 . 1 . . . . . 71 V H . 53014 1 126 . 1 . 1 72 72 VAL CA C 13 60.8 0.1 . 1 . . . . . 71 V CA . 53014 1 127 . 1 . 1 72 72 VAL N N 15 127.68 0.05 . 1 . . . . . 71 V N . 53014 1 128 . 1 . 1 73 73 GLU H H 1 9.71 0.01 . 1 . . . . . 72 E H . 53014 1 129 . 1 . 1 73 73 GLU CA C 13 54.7 0.1 . 1 . . . . . 72 E CA . 53014 1 130 . 1 . 1 73 73 GLU N N 15 128.57 0.05 . 1 . . . . . 72 E N . 53014 1 131 . 1 . 1 74 74 ILE H H 1 9.17 0.01 . 1 . . . . . 73 I H . 53014 1 132 . 1 . 1 74 74 ILE CA C 13 60.0 0.1 . 1 . . . . . 73 I CA . 53014 1 133 . 1 . 1 74 74 ILE N N 15 126.22 0.05 . 1 . . . . . 73 I N . 53014 1 134 . 1 . 1 75 75 ASP H H 1 8.82 0.01 . 1 . . . . . 74 D H . 53014 1 135 . 1 . 1 75 75 ASP CA C 13 53.1 0.1 . 1 . . . . . 74 D CA . 53014 1 136 . 1 . 1 75 75 ASP N N 15 128.60 0.05 . 1 . . . . . 74 D N . 53014 1 137 . 1 . 1 76 76 THR H H 1 8.25 0.01 . 1 . . . . . 75 T H . 53014 1 138 . 1 . 1 76 76 THR CA C 13 64.2 0.1 . 1 . . . . . 75 T CA . 53014 1 139 . 1 . 1 76 76 THR N N 15 117.44 0.05 . 1 . . . . . 75 T N . 53014 1 140 . 1 . 1 77 77 LYS H H 1 7.77 0.01 . 1 . . . . . 76 K H . 53014 1 141 . 1 . 1 77 77 LYS CA C 13 60.1 0.1 . 1 . . . . . 76 K CA . 53014 1 142 . 1 . 1 77 77 LYS N N 15 125.17 0.05 . 1 . . . . . 76 K N . 53014 1 143 . 1 . 1 78 78 SER H H 1 8.02 0.01 . 1 . . . . . 77 S H . 53014 1 144 . 1 . 1 78 78 SER CA C 13 61.5 0.1 . 1 . . . . . 77 S CA . 53014 1 145 . 1 . 1 78 78 SER N N 15 113.25 0.05 . 1 . . . . . 77 S N . 53014 1 146 . 1 . 1 79 79 TYR H H 1 6.75 0.01 . 1 . . . . . 78 Y H . 53014 1 147 . 1 . 1 79 79 TYR CA C 13 60.8 0.1 . 1 . . . . . 78 Y CA . 53014 1 148 . 1 . 1 79 79 TYR N N 15 121.84 0.05 . 1 . . . . . 78 Y N . 53014 1 149 . 1 . 1 80 80 TRP H H 1 7.77 0.01 . 1 . . . . . 79 W H . 53014 1 150 . 1 . 1 80 80 TRP CA C 13 59.0 0.1 . 1 . . . . . 79 W CA . 53014 1 151 . 1 . 1 80 80 TRP N N 15 118.01 0.05 . 1 . . . . . 79 W N . 53014 1 152 . 1 . 1 81 81 LYS H H 1 8.78 0.01 . 1 . . . . . 80 K H . 53014 1 153 . 1 . 1 81 81 LYS CA C 13 59.2 0.1 . 1 . . . . . 80 K CA . 53014 1 154 . 1 . 1 81 81 LYS N N 15 118.74 0.05 . 1 . . . . . 80 K N . 53014 1 155 . 1 . 1 82 82 ALA H H 1 7.54 0.01 . 1 . . . . . 81 A H . 53014 1 156 . 1 . 1 82 82 ALA CA C 13 54.1 0.1 . 1 . . . . . 81 A CA . 53014 1 157 . 1 . 1 82 82 ALA N N 15 122.79 0.05 . 1 . . . . . 81 A N . 53014 1 158 . 1 . 1 83 83 LEU H H 1 7.28 0.01 . 1 . . . . . 82 L H . 53014 1 159 . 1 . 1 83 83 LEU CA C 13 54.2 0.1 . 1 . . . . . 82 L CA . 53014 1 160 . 1 . 1 83 83 LEU N N 15 118.11 0.05 . 1 . . . . . 82 L N . 53014 1 161 . 1 . 1 84 84 GLY H H 1 7.97 0.01 . 1 . . . . . 83 G H . 53014 1 162 . 1 . 1 84 84 GLY CA C 13 45.3 0.1 . 1 . . . . . 83 G CA . 53014 1 163 . 1 . 1 84 84 GLY N N 15 108.16 0.05 . 1 . . . . . 83 G N . 53014 1 164 . 1 . 1 85 85 ILE H H 1 7.94 0.01 . 1 . . . . . 84 I H . 53014 1 165 . 1 . 1 85 85 ILE CA C 13 59.3 0.1 . 1 . . . . . 84 I CA . 53014 1 166 . 1 . 1 85 85 ILE N N 15 123.42 0.05 . 1 . . . . . 84 I N . 53014 1 167 . 1 . 1 86 86 SER H H 1 8.49 0.01 . 1 . . . . . 85 S H . 53014 1 168 . 1 . 1 86 86 SER CA C 13 54.5 0.1 . 1 . . . . . 85 S CA . 53014 1 169 . 1 . 1 86 86 SER N N 15 122.35 0.05 . 1 . . . . . 85 S N . 53014 1 170 . 1 . 1 90 90 GLU H H 1 8.97 0.01 . 1 . . . . . 89 E H . 53014 1 171 . 1 . 1 90 90 GLU CA C 13 57.6 0.1 . 1 . . . . . 89 E CA . 53014 1 172 . 1 . 1 90 90 GLU N N 15 121.45 0.05 . 1 . . . . . 89 E N . 53014 1 173 . 1 . 1 91 91 HIS H H 1 7.32 0.01 . 1 . . . . . 90 H H . 53014 1 174 . 1 . 1 91 91 HIS CA C 13 54.4 0.1 . 1 . . . . . 90 H CA . 53014 1 175 . 1 . 1 91 91 HIS N N 15 107.30 0.05 . 1 . . . . . 90 H N . 53014 1 176 . 1 . 1 92 92 ALA H H 1 8.32 0.01 . 1 . . . . . 91 A H . 53014 1 177 . 1 . 1 92 92 ALA CA C 13 51.5 0.1 . 1 . . . . . 91 A CA . 53014 1 178 . 1 . 1 92 92 ALA N N 15 120.32 0.05 . 1 . . . . . 91 A N . 53014 1 179 . 1 . 1 95 95 VAL CA C 13 60.9 0.1 . 1 . . . . . 94 V CA . 53014 1 180 . 1 . 1 96 96 PHE H H 1 9.05 0.01 . 1 . . . . . 95 F H . 53014 1 181 . 1 . 1 96 96 PHE CA C 13 55.8 0.1 . 1 . . . . . 95 F CA . 53014 1 182 . 1 . 1 96 96 PHE N N 15 125.07 0.05 . 1 . . . . . 95 F N . 53014 1 183 . 1 . 1 97 97 THR H H 1 8.71 0.01 . 1 . . . . . 96 T H . 53014 1 184 . 1 . 1 97 97 THR CA C 13 62.8 0.1 . 1 . . . . . 96 T CA . 53014 1 185 . 1 . 1 97 97 THR N N 15 119.11 0.05 . 1 . . . . . 96 T N . 53014 1 186 . 1 . 1 98 98 ALA H H 1 9.18 0.01 . 1 . . . . . 97 A H . 53014 1 187 . 1 . 1 98 98 ALA CA C 13 49.8 0.1 . 1 . . . . . 97 A CA . 53014 1 188 . 1 . 1 98 98 ALA N N 15 130.03 0.05 . 1 . . . . . 97 A N . 53014 1 189 . 1 . 1 99 99 ASN CA C 13 54.0 0.1 . 1 . . . . . 98 N CA . 53014 1 190 . 1 . 1 100 100 ASP H H 1 8.92 0.01 . 1 . . . . . 99 D H . 53014 1 191 . 1 . 1 100 100 ASP CA C 13 55.2 0.1 . 1 . . . . . 99 D CA . 53014 1 192 . 1 . 1 100 100 ASP N N 15 118.00 0.05 . 1 . . . . . 99 D N . 53014 1 193 . 1 . 1 101 101 SER H H 1 8.92 0.01 . 1 . . . . . 100 S H . 53014 1 194 . 1 . 1 101 101 SER CA C 13 57.0 0.1 . 1 . . . . . 100 S CA . 53014 1 195 . 1 . 1 101 101 SER N N 15 118.00 0.05 . 1 . . . . . 100 S N . 53014 1 196 . 1 . 1 102 102 GLY H H 1 7.15 0.01 . 1 . . . . . 101 G H . 53014 1 197 . 1 . 1 102 102 GLY CA C 13 43.3 0.1 . 1 . . . . . 101 G CA . 53014 1 198 . 1 . 1 102 102 GLY N N 15 110.59 0.05 . 1 . . . . . 101 G N . 53014 1 199 . 1 . 1 103 103 PRO CA C 13 63.4 0.1 . 1 . . . . . 102 P CA . 53014 1 200 . 1 . 1 104 104 ARG H H 1 8.38 0.01 . 1 . . . . . 103 R H . 53014 1 201 . 1 . 1 104 104 ARG CA C 13 53.1 0.1 . 1 . . . . . 103 R CA . 53014 1 202 . 1 . 1 104 104 ARG N N 15 123.34 0.05 . 1 . . . . . 103 R N . 53014 1 203 . 1 . 1 105 105 ARG H H 1 8.15 0.01 . 1 . . . . . 104 R H . 53014 1 204 . 1 . 1 105 105 ARG CA C 13 54.4 0.1 . 1 . . . . . 104 R CA . 53014 1 205 . 1 . 1 105 105 ARG N N 15 117.52 0.05 . 1 . . . . . 104 R N . 53014 1 206 . 1 . 1 106 106 TYR H H 1 8.86 0.01 . 1 . . . . . 105 Y H . 53014 1 207 . 1 . 1 106 106 TYR CA C 13 57.5 0.1 . 1 . . . . . 105 Y CA . 53014 1 208 . 1 . 1 106 106 TYR N N 15 121.71 0.05 . 1 . . . . . 105 Y N . 53014 1 209 . 1 . 1 107 107 THR H H 1 8.84 0.01 . 1 . . . . . 106 T H . 53014 1 210 . 1 . 1 107 107 THR CA C 13 61.6 0.1 . 1 . . . . . 106 T CA . 53014 1 211 . 1 . 1 107 107 THR N N 15 121.11 0.05 . 1 . . . . . 106 T N . 53014 1 212 . 1 . 1 108 108 ILE H H 1 8.86 0.01 . 1 . . . . . 107 I H . 53014 1 213 . 1 . 1 108 108 ILE CA C 13 58.3 0.1 . 1 . . . . . 107 I CA . 53014 1 214 . 1 . 1 108 108 ILE N N 15 127.93 0.05 . 1 . . . . . 107 I N . 53014 1 215 . 1 . 1 123 123 VAL H H 1 8.39 0.01 . 1 . . . . . 122 V H . 53014 1 216 . 1 . 1 123 123 VAL CA C 13 60.7 0.1 . 1 . . . . . 122 V CA . 53014 1 217 . 1 . 1 123 123 VAL N N 15 129.29 0.05 . 1 . . . . . 122 V N . 53014 1 218 . 1 . 1 124 124 THR H H 1 8.75 0.01 . 1 . . . . . 123 T H . 53014 1 219 . 1 . 1 124 124 THR CA C 13 60.0 0.1 . 1 . . . . . 123 T CA . 53014 1 220 . 1 . 1 124 124 THR N N 15 119.94 0.05 . 1 . . . . . 123 T N . 53014 1 221 . 1 . 1 125 125 ASN H H 1 8.73 0.01 . 1 . . . . . 124 N H . 53014 1 222 . 1 . 1 125 125 ASN CA C 13 50.0 0.1 . 1 . . . . . 124 N CA . 53014 1 223 . 1 . 1 125 125 ASN N N 15 121.41 0.05 . 1 . . . . . 124 N N . 53014 1 224 . 1 . 1 126 126 PRO CA C 13 63.1 0.1 . 1 . . . . . 125 P CA . 53014 1 225 . 1 . 1 127 127 LYS H H 1 8.03 0.01 . 1 . . . . . 126 K H . 53014 1 226 . 1 . 1 127 127 LYS CA C 13 55.8 0.1 . 1 . . . . . 126 K CA . 53014 1 227 . 1 . 1 127 127 LYS N N 15 120.81 0.05 . 1 . . . . . 126 K N . 53014 1 228 . 1 . 1 128 128 GLU H H 1 7.71 0.01 . 1 . . . . . 127 E H . 53014 1 229 . 1 . 1 128 128 GLU CA C 13 57.6 0.1 . 1 . . . . . 127 E CA . 53014 1 230 . 1 . 1 128 128 GLU N N 15 127.32 0.05 . 1 . . . . . 127 E N . 53014 1 stop_ save_