################################### # 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_chemical_shifts_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_set_1 _Assigned_chem_shift_list.Entry_ID 4711 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4711 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 SER CA C 13 57.16 0.35 . 1 . . . . . . . . 4711 1 2 . 1 1 2 2 ILE H H 1 9.44 0.04 . 1 . . . . . . . . 4711 1 3 . 1 1 2 2 ILE CA C 13 60.97 0.35 . 1 . . . . . . . . 4711 1 4 . 1 1 2 2 ILE N N 15 125.25 0.05 . 1 . . . . . . . . 4711 1 5 . 1 1 3 3 TYR H H 1 9.29 0.04 . 1 . . . . . . . . 4711 1 6 . 1 1 3 3 TYR CA C 13 57.66 0.35 . 1 . . . . . . . . 4711 1 7 . 1 1 3 3 TYR N N 15 128.32 0.05 . 1 . . . . . . . . 4711 1 8 . 1 1 4 4 VAL H H 1 8.07 0.04 . 1 . . . . . . . . 4711 1 9 . 1 1 4 4 VAL CA C 13 59.12 0.35 . 1 . . . . . . . . 4711 1 10 . 1 1 4 4 VAL N N 15 127.09 0.05 . 1 . . . . . . . . 4711 1 11 . 1 1 5 5 GLY H H 1 9.61 0.04 . 1 . . . . . . . . 4711 1 12 . 1 1 5 5 GLY CA C 13 43.14 0.35 . 1 . . . . . . . . 4711 1 13 . 1 1 5 5 GLY N N 15 113.20 0.05 . 1 . . . . . . . . 4711 1 14 . 1 1 6 6 ASN H H 1 8.36 0.04 . 1 . . . . . . . . 4711 1 15 . 1 1 6 6 ASN CA C 13 53.31 0.35 . 1 . . . . . . . . 4711 1 16 . 1 1 6 6 ASN N N 15 114.16 0.05 . 1 . . . . . . . . 4711 1 17 . 1 1 7 7 LEU H H 1 7.66 0.04 . 1 . . . . . . . . 4711 1 18 . 1 1 7 7 LEU CA C 13 53.62 0.35 . 1 . . . . . . . . 4711 1 19 . 1 1 7 7 LEU N N 15 114.47 0.05 . 1 . . . . . . . . 4711 1 20 . 1 1 8 8 SER H H 1 8.23 0.04 . 1 . . . . . . . . 4711 1 21 . 1 1 8 8 SER CA C 13 57.26 0.35 . 1 . . . . . . . . 4711 1 22 . 1 1 8 8 SER N N 15 115.88 0.05 . 1 . . . . . . . . 4711 1 23 . 1 1 9 9 TYR H H 1 8.20 0.04 . 1 . . . . . . . . 4711 1 24 . 1 1 9 9 TYR CA C 13 59.12 0.35 . 1 . . . . . . . . 4711 1 25 . 1 1 9 9 TYR N N 15 123.43 0.05 . 1 . . . . . . . . 4711 1 26 . 1 1 10 10 GLU H H 1 8.13 0.04 . 1 . . . . . . . . 4711 1 27 . 1 1 10 10 GLU CA C 13 56.55 0.35 . 1 . . . . . . . . 4711 1 28 . 1 1 10 10 GLU N N 15 116.79 0.05 . 1 . . . . . . . . 4711 1 29 . 1 1 11 11 VAL H H 1 7.14 0.04 . 1 . . . . . . . . 4711 1 30 . 1 1 11 11 VAL CA C 13 64.11 0.35 . 1 . . . . . . . . 4711 1 31 . 1 1 11 11 VAL N N 15 120.68 0.05 . 1 . . . . . . . . 4711 1 32 . 1 1 12 12 THR H H 1 7.34 0.04 . 1 . . . . . . . . 4711 1 33 . 1 1 12 12 THR CA C 13 58.86 0.35 . 1 . . . . . . . . 4711 1 34 . 1 1 12 12 THR N N 15 114.37 0.05 . 1 . . . . . . . . 4711 1 35 . 1 1 13 13 GLN H H 1 9.28 0.04 . 1 . . . . . . . . 4711 1 36 . 1 1 13 13 GLN CA C 13 58.85 0.35 . 1 . . . . . . . . 4711 1 37 . 1 1 13 13 GLN N N 15 120.43 0.05 . 1 . . . . . . . . 4711 1 38 . 1 1 14 14 ASP H H 1 8.41 0.04 . 1 . . . . . . . . 4711 1 39 . 1 1 14 14 ASP CA C 13 60.37 0.35 . 1 . . . . . . . . 4711 1 40 . 1 1 14 14 ASP N N 15 117.67 0.05 . 1 . . . . . . . . 4711 1 41 . 1 1 15 15 THR H H 1 7.87 0.04 . 1 . . . . . . . . 4711 1 42 . 1 1 15 15 THR CA C 13 64.96 0.35 . 1 . . . . . . . . 4711 1 43 . 1 1 15 15 THR N N 15 113.86 0.05 . 1 . . . . . . . . 4711 1 44 . 1 1 16 16 LEU H H 1 8.31 0.04 . 1 . . . . . . . . 4711 1 45 . 1 1 16 16 LEU CA C 13 57.66 0.35 . 1 . . . . . . . . 4711 1 46 . 1 1 16 16 LEU N N 15 123.05 0.05 . 1 . . . . . . . . 4711 1 47 . 1 1 17 17 SER H H 1 8.19 0.04 . 1 . . . . . . . . 4711 1 48 . 1 1 17 17 SER CA C 13 62.59 0.35 . 1 . . . . . . . . 4711 1 49 . 1 1 17 17 SER N N 15 112.35 0.05 . 1 . . . . . . . . 4711 1 50 . 1 1 18 18 ALA H H 1 7.30 0.04 . 1 . . . . . . . . 4711 1 51 . 1 1 18 18 ALA CA C 13 54.90 0.35 . 1 . . . . . . . . 4711 1 52 . 1 1 18 18 ALA N N 15 119.58 0.05 . 1 . . . . . . . . 4711 1 53 . 1 1 19 19 VAL H H 1 7.24 0.04 . 1 . . . . . . . . 4711 1 54 . 1 1 19 19 VAL CA C 13 65.36 0.35 . 1 . . . . . . . . 4711 1 55 . 1 1 19 19 VAL N N 15 117.64 0.05 . 1 . . . . . . . . 4711 1 56 . 1 1 20 20 PHE H H 1 7.14 0.04 . 1 . . . . . . . . 4711 1 57 . 1 1 20 20 PHE CA C 13 62.13 0.35 . 1 . . . . . . . . 4711 1 58 . 1 1 20 20 PHE N N 15 117.09 0.05 . 1 . . . . . . . . 4711 1 59 . 1 1 21 21 ALA H H 1 8.32 0.04 . 1 . . . . . . . . 4711 1 60 . 1 1 21 21 ALA CA C 13 53.66 0.35 . 1 . . . . . . . . 4711 1 61 . 1 1 21 21 ALA N N 15 121.92 0.05 . 1 . . . . . . . . 4711 1 62 . 1 1 22 22 GLU H H 1 6.65 0.04 . 1 . . . . . . . . 4711 1 63 . 1 1 22 22 GLU CA C 13 57.54 0.35 . 1 . . . . . . . . 4711 1 64 . 1 1 22 22 GLU N N 15 114.98 0.05 . 1 . . . . . . . . 4711 1 65 . 1 1 23 23 TYR H H 1 7.78 0.04 . 1 . . . . . . . . 4711 1 66 . 1 1 23 23 TYR CA C 13 58.34 0.35 . 1 . . . . . . . . 4711 1 67 . 1 1 23 23 TYR N N 15 115.17 0.05 . 1 . . . . . . . . 4711 1 68 . 1 1 24 24 GLY H H 1 7.11 0.04 . 1 . . . . . . . . 4711 1 69 . 1 1 24 24 GLY CA C 13 44.66 0.35 . 1 . . . . . . . . 4711 1 70 . 1 1 24 24 GLY N N 15 105.96 0.05 . 1 . . . . . . . . 4711 1 71 . 1 1 25 25 THR H H 1 8.89 0.04 . 1 . . . . . . . . 4711 1 72 . 1 1 25 25 THR CA C 13 62.55 0.35 . 1 . . . . . . . . 4711 1 73 . 1 1 25 25 THR N N 15 118.36 0.05 . 1 . . . . . . . . 4711 1 74 . 1 1 26 26 VAL H H 1 8.75 0.04 . 1 . . . . . . . . 4711 1 75 . 1 1 26 26 VAL CA C 13 62.70 0.35 . 1 . . . . . . . . 4711 1 76 . 1 1 26 26 VAL N N 15 127.39 0.05 . 1 . . . . . . . . 4711 1 77 . 1 1 27 27 LYS H H 1 9.03 0.04 . 1 . . . . . . . . 4711 1 78 . 1 1 27 27 LYS CA C 13 56.96 0.35 . 1 . . . . . . . . 4711 1 79 . 1 1 27 27 LYS N N 15 129.04 0.05 . 1 . . . . . . . . 4711 1 80 . 1 1 28 28 ARG H H 1 7.60 0.04 . 1 . . . . . . . . 4711 1 81 . 1 1 28 28 ARG CA C 13 56.39 0.35 . 1 . . . . . . . . 4711 1 82 . 1 1 28 28 ARG N N 15 116.57 0.05 . 1 . . . . . . . . 4711 1 83 . 1 1 29 29 VAL H H 1 8.44 0.04 . 1 . . . . . . . . 4711 1 84 . 1 1 29 29 VAL CA C 13 60.90 0.35 . 1 . . . . . . . . 4711 1 85 . 1 1 29 29 VAL N N 15 122.68 0.05 . 1 . . . . . . . . 4711 1 86 . 1 1 30 30 GLN H H 1 9.11 0.04 . 1 . . . . . . . . 4711 1 87 . 1 1 30 30 GLN CA C 13 54.77 0.35 . 1 . . . . . . . . 4711 1 88 . 1 1 30 30 GLN N N 15 125.35 0.05 . 1 . . . . . . . . 4711 1 89 . 1 1 31 31 LEU H H 1 8.80 0.04 . 1 . . . . . . . . 4711 1 90 . 1 1 31 31 LEU CA C 13 54.82 0.35 . 1 . . . . . . . . 4711 1 91 . 1 1 31 31 LEU N N 15 126.66 0.05 . 1 . . . . . . . . 4711 1 92 . 1 1 32 32 PRO CA C 13 63.20 0.35 . 1 . . . . . . . . 4711 1 93 . 1 1 33 33 THR H H 1 8.28 0.04 . 1 . . . . . . . . 4711 1 94 . 1 1 33 33 THR CA C 13 59.45 0.35 . 1 . . . . . . . . 4711 1 95 . 1 1 33 33 THR N N 15 112.53 0.05 . 1 . . . . . . . . 4711 1 96 . 1 1 34 34 ASP H H 1 8.72 0.04 . 1 . . . . . . . . 4711 1 97 . 1 1 34 34 ASP CA C 13 54.32 0.35 . 1 . . . . . . . . 4711 1 98 . 1 1 34 34 ASP N N 15 123.58 0.05 . 1 . . . . . . . . 4711 1 99 . 1 1 35 35 ARG H H 1 8.94 0.04 . 1 . . . . . . . . 4711 1 100 . 1 1 35 35 ARG CA C 13 58.80 0.35 . 1 . . . . . . . . 4711 1 101 . 1 1 35 35 ARG N N 15 127.97 0.05 . 1 . . . . . . . . 4711 1 102 . 1 1 36 36 GLU H H 1 8.56 0.04 . 1 . . . . . . . . 4711 1 103 . 1 1 36 36 GLU CA C 13 58.56 0.35 . 1 . . . . . . . . 4711 1 104 . 1 1 36 36 GLU N N 15 117.60 0.05 . 1 . . . . . . . . 4711 1 105 . 1 1 37 37 THR H H 1 8.16 0.04 . 1 . . . . . . . . 4711 1 106 . 1 1 37 37 THR CA C 13 61.87 0.35 . 1 . . . . . . . . 4711 1 107 . 1 1 37 37 THR N N 15 107.13 0.05 . 1 . . . . . . . . 4711 1 108 . 1 1 38 38 GLY H H 1 8.35 0.04 . 1 . . . . . . . . 4711 1 109 . 1 1 38 38 GLY CA C 13 45.65 0.35 . 1 . . . . . . . . 4711 1 110 . 1 1 38 38 GLY N N 15 111.28 0.05 . 1 . . . . . . . . 4711 1 111 . 1 1 39 39 GLN H H 1 7.74 0.04 . 1 . . . . . . . . 4711 1 112 . 1 1 39 39 GLN CA C 13 53.90 0.35 . 1 . . . . . . . . 4711 1 113 . 1 1 39 39 GLN N N 15 119.32 0.05 . 1 . . . . . . . . 4711 1 114 . 1 1 40 40 PRO CA C 13 63.50 0.35 . 1 . . . . . . . . 4711 1 115 . 1 1 41 41 ARG H H 1 7.86 0.04 . 1 . . . . . . . . 4711 1 116 . 1 1 41 41 ARG CA C 13 56.72 0.35 . 1 . . . . . . . . 4711 1 117 . 1 1 41 41 ARG N N 15 118.00 0.05 . 1 . . . . . . . . 4711 1 118 . 1 1 42 42 GLY H H 1 8.14 0.04 . 1 . . . . . . . . 4711 1 119 . 1 1 42 42 GLY CA C 13 45.78 0.35 . 1 . . . . . . . . 4711 1 120 . 1 1 42 42 GLY N N 15 106.50 0.05 . 1 . . . . . . . . 4711 1 121 . 1 1 43 43 PHE H H 1 6.85 0.04 . 1 . . . . . . . . 4711 1 122 . 1 1 43 43 PHE CA C 13 54.69 0.35 . 1 . . . . . . . . 4711 1 123 . 1 1 43 43 PHE N N 15 114.28 0.05 . 1 . . . . . . . . 4711 1 124 . 1 1 44 44 GLY H H 1 9.03 0.04 . 1 . . . . . . . . 4711 1 125 . 1 1 44 44 GLY CA C 13 44.88 0.35 . 1 . . . . . . . . 4711 1 126 . 1 1 44 44 GLY N N 15 107.12 0.05 . 1 . . . . . . . . 4711 1 127 . 1 1 45 45 PHE H H 1 8.66 0.04 . 1 . . . . . . . . 4711 1 128 . 1 1 45 45 PHE CA C 13 55.77 0.35 . 1 . . . . . . . . 4711 1 129 . 1 1 45 45 PHE N N 15 114.16 0.05 . 1 . . . . . . . . 4711 1 130 . 1 1 46 46 VAL H H 1 9.06 0.04 . 1 . . . . . . . . 4711 1 131 . 1 1 46 46 VAL CA C 13 60.79 0.35 . 1 . . . . . . . . 4711 1 132 . 1 1 46 46 VAL N N 15 122.19 0.05 . 1 . . . . . . . . 4711 1 133 . 1 1 47 47 GLU H H 1 8.73 0.04 . 1 . . . . . . . . 4711 1 134 . 1 1 47 47 GLU CA C 13 54.37 0.35 . 1 . . . . . . . . 4711 1 135 . 1 1 47 47 GLU N N 15 126.82 0.05 . 1 . . . . . . . . 4711 1 136 . 1 1 48 48 MET H H 1 9.36 0.04 . 1 . . . . . . . . 4711 1 137 . 1 1 48 48 MET CA C 13 53.59 0.35 . 1 . . . . . . . . 4711 1 138 . 1 1 48 48 MET N N 15 123.49 0.05 . 1 . . . . . . . . 4711 1 139 . 1 1 49 49 GLY H H 1 8.54 0.04 . 1 . . . . . . . . 4711 1 140 . 1 1 49 49 GLY CA C 13 47.02 0.35 . 1 . . . . . . . . 4711 1 141 . 1 1 49 49 GLY N N 15 107.40 0.05 . 1 . . . . . . . . 4711 1 142 . 1 1 50 50 SER H H 1 7.36 0.04 . 1 . . . . . . . . 4711 1 143 . 1 1 50 50 SER CA C 13 56.56 0.35 . 1 . . . . . . . . 4711 1 144 . 1 1 50 50 SER N N 15 110.03 0.05 . 1 . . . . . . . . 4711 1 145 . 1 1 51 51 GLU H H 1 9.06 0.04 . 1 . . . . . . . . 4711 1 146 . 1 1 51 51 GLU CA C 13 59.51 0.35 . 1 . . . . . . . . 4711 1 147 . 1 1 51 51 GLU N N 15 121.65 0.05 . 1 . . . . . . . . 4711 1 148 . 1 1 52 52 ALA H H 1 8.34 0.04 . 1 . . . . . . . . 4711 1 149 . 1 1 52 52 ALA CA C 13 55.10 0.35 . 1 . . . . . . . . 4711 1 150 . 1 1 52 52 ALA N N 15 122.86 0.05 . 1 . . . . . . . . 4711 1 151 . 1 1 53 53 GLU H H 1 7.68 0.04 . 1 . . . . . . . . 4711 1 152 . 1 1 53 53 GLU CA C 13 59.38 0.35 . 1 . . . . . . . . 4711 1 153 . 1 1 53 53 GLU N N 15 120.20 0.05 . 1 . . . . . . . . 4711 1 154 . 1 1 54 54 GLU H H 1 7.60 0.04 . 1 . . . . . . . . 4711 1 155 . 1 1 54 54 GLU CA C 13 60.25 0.35 . 1 . . . . . . . . 4711 1 156 . 1 1 54 54 GLU N N 15 116.46 0.05 . 1 . . . . . . . . 4711 1 157 . 1 1 55 55 ALA H H 1 8.30 0.04 . 1 . . . . . . . . 4711 1 158 . 1 1 55 55 ALA CA C 13 55.13 0.35 . 1 . . . . . . . . 4711 1 159 . 1 1 55 55 ALA N N 15 120.06 0.05 . 1 . . . . . . . . 4711 1 160 . 1 1 56 56 ALA H H 1 7.71 0.04 . 1 . . . . . . . . 4711 1 161 . 1 1 56 56 ALA CA C 13 54.85 0.35 . 1 . . . . . . . . 4711 1 162 . 1 1 56 56 ALA N N 15 120.71 0.05 . 1 . . . . . . . . 4711 1 163 . 1 1 57 57 ALA H H 1 8.00 0.04 . 1 . . . . . . . . 4711 1 164 . 1 1 57 57 ALA CA C 13 54.81 0.35 . 1 . . . . . . . . 4711 1 165 . 1 1 57 57 ALA N N 15 121.63 0.05 . 1 . . . . . . . . 4711 1 166 . 1 1 58 58 ILE H H 1 8.26 0.04 . 1 . . . . . . . . 4711 1 167 . 1 1 58 58 ILE CA C 13 65.84 0.35 . 1 . . . . . . . . 4711 1 168 . 1 1 58 58 ILE N N 15 117.51 0.05 . 1 . . . . . . . . 4711 1 169 . 1 1 59 59 GLU H H 1 7.56 0.04 . 1 . . . . . . . . 4711 1 170 . 1 1 59 59 GLU CA C 13 58.73 0.35 . 1 . . . . . . . . 4711 1 171 . 1 1 59 59 GLU N N 15 116.46 0.05 . 1 . . . . . . . . 4711 1 172 . 1 1 60 60 ALA H H 1 7.31 0.04 . 1 . . . . . . . . 4711 1 173 . 1 1 60 60 ALA CA C 13 54.21 0.35 . 1 . . . . . . . . 4711 1 174 . 1 1 60 60 ALA N N 15 118.03 0.05 . 1 . . . . . . . . 4711 1 175 . 1 1 61 61 LEU H H 1 7.85 0.04 . 1 . . . . . . . . 4711 1 176 . 1 1 61 61 LEU CA C 13 55.28 0.35 . 1 . . . . . . . . 4711 1 177 . 1 1 61 61 LEU N N 15 115.16 0.05 . 1 . . . . . . . . 4711 1 178 . 1 1 62 62 ASP H H 1 7.67 0.04 . 1 . . . . . . . . 4711 1 179 . 1 1 62 62 ASP CA C 13 58.13 0.35 . 1 . . . . . . . . 4711 1 180 . 1 1 62 62 ASP N N 15 118.14 0.05 . 1 . . . . . . . . 4711 1 181 . 1 1 63 63 GLY H H 1 8.75 0.04 . 1 . . . . . . . . 4711 1 182 . 1 1 63 63 GLY CA C 13 45.71 0.35 . 1 . . . . . . . . 4711 1 183 . 1 1 63 63 GLY N N 15 117.80 0.05 . 1 . . . . . . . . 4711 1 184 . 1 1 64 64 ALA H H 1 8.12 0.04 . 1 . . . . . . . . 4711 1 185 . 1 1 64 64 ALA CA C 13 51.81 0.35 . 1 . . . . . . . . 4711 1 186 . 1 1 64 64 ALA N N 15 124.47 0.05 . 1 . . . . . . . . 4711 1 187 . 1 1 65 65 GLU H H 1 8.28 0.04 . 1 . . . . . . . . 4711 1 188 . 1 1 65 65 GLU CA C 13 56.15 0.35 . 1 . . . . . . . . 4711 1 189 . 1 1 65 65 GLU N N 15 121.80 0.05 . 1 . . . . . . . . 4711 1 190 . 1 1 66 66 TRP H H 1 9.30 0.04 . 1 . . . . . . . . 4711 1 191 . 1 1 66 66 TRP CA C 13 58.55 0.35 . 1 . . . . . . . . 4711 1 192 . 1 1 66 66 TRP N N 15 128.42 0.05 . 1 . . . . . . . . 4711 1 193 . 1 1 67 67 MET H H 1 8.85 0.04 . 1 . . . . . . . . 4711 1 194 . 1 1 67 67 MET CA C 13 56.32 0.35 . 1 . . . . . . . . 4711 1 195 . 1 1 67 67 MET N N 15 124.91 0.05 . 1 . . . . . . . . 4711 1 196 . 1 1 68 68 GLY H H 1 8.72 0.04 . 1 . . . . . . . . 4711 1 197 . 1 1 68 68 GLY CA C 13 45.57 0.35 . 1 . . . . . . . . 4711 1 198 . 1 1 68 68 GLY N N 15 103.62 0.05 . 1 . . . . . . . . 4711 1 199 . 1 1 69 69 ARG H H 1 7.50 0.04 . 1 . . . . . . . . 4711 1 200 . 1 1 69 69 ARG CA C 13 54.02 0.35 . 1 . . . . . . . . 4711 1 201 . 1 1 69 69 ARG N N 15 119.33 0.05 . 1 . . . . . . . . 4711 1 202 . 1 1 70 70 ASP H H 1 8.39 0.04 . 1 . . . . . . . . 4711 1 203 . 1 1 70 70 ASP CA C 13 53.34 0.35 . 1 . . . . . . . . 4711 1 204 . 1 1 70 70 ASP N N 15 119.85 0.05 . 1 . . . . . . . . 4711 1 205 . 1 1 71 71 LEU H H 1 9.19 0.04 . 1 . . . . . . . . 4711 1 206 . 1 1 71 71 LEU CA C 13 55.95 0.35 . 1 . . . . . . . . 4711 1 207 . 1 1 71 71 LEU N N 15 126.79 0.05 . 1 . . . . . . . . 4711 1 208 . 1 1 72 72 LYS H H 1 7.55 0.04 . 1 . . . . . . . . 4711 1 209 . 1 1 72 72 LYS CA C 13 54.36 0.35 . 1 . . . . . . . . 4711 1 210 . 1 1 72 72 LYS N N 15 123.90 0.05 . 1 . . . . . . . . 4711 1 211 . 1 1 73 73 VAL H H 1 9.27 0.04 . 1 . . . . . . . . 4711 1 212 . 1 1 73 73 VAL CA C 13 60.81 0.35 . 1 . . . . . . . . 4711 1 213 . 1 1 73 73 VAL N N 15 126.17 0.05 . 1 . . . . . . . . 4711 1 214 . 1 1 74 74 ASN H H 1 9.05 0.04 . 1 . . . . . . . . 4711 1 215 . 1 1 74 74 ASN CA C 13 52.15 0.35 . 1 . . . . . . . . 4711 1 216 . 1 1 74 74 ASN N N 15 120.17 0.05 . 1 . . . . . . . . 4711 1 217 . 1 1 75 75 LYS H H 1 8.91 0.04 . 1 . . . . . . . . 4711 1 218 . 1 1 75 75 LYS CA C 13 57.17 0.35 . 1 . . . . . . . . 4711 1 219 . 1 1 75 75 LYS N N 15 122.10 0.05 . 1 . . . . . . . . 4711 1 220 . 1 1 76 76 ALA H H 1 8.64 0.04 . 1 . . . . . . . . 4711 1 221 . 1 1 76 76 ALA CA C 13 52.07 0.35 . 1 . . . . . . . . 4711 1 222 . 1 1 76 76 ALA N N 15 129.40 0.05 . 1 . . . . . . . . 4711 1 223 . 1 1 77 77 LYS H H 1 8.56 0.04 . 1 . . . . . . . . 4711 1 224 . 1 1 77 77 LYS CA C 13 54.34 0.35 . 1 . . . . . . . . 4711 1 225 . 1 1 77 77 LYS N N 15 123.38 0.05 . 1 . . . . . . . . 4711 1 226 . 1 1 78 78 PRO CA C 13 63.23 0.35 . 1 . . . . . . . . 4711 1 227 . 1 1 79 79 ARG H H 1 8.33 0.04 . 1 . . . . . . . . 4711 1 228 . 1 1 79 79 ARG CA C 13 56.46 0.35 . 1 . . . . . . . . 4711 1 229 . 1 1 79 79 ARG N N 15 120.96 0.05 . 1 . . . . . . . . 4711 1 230 . 1 1 80 80 GLU H H 1 8.40 0.04 . 1 . . . . . . . . 4711 1 231 . 1 1 80 80 GLU CA C 13 56.56 0.35 . 1 . . . . . . . . 4711 1 232 . 1 1 80 80 GLU N N 15 122.09 0.05 . 1 . . . . . . . . 4711 1 233 . 1 1 81 81 ASP H H 1 8.32 0.04 . 1 . . . . . . . . 4711 1 234 . 1 1 81 81 ASP CA C 13 54.08 0.35 . 1 . . . . . . . . 4711 1 235 . 1 1 81 81 ASP N N 15 121.68 0.05 . 1 . . . . . . . . 4711 1 236 . 1 1 82 82 ARG H H 1 8.18 0.04 . 1 . . . . . . . . 4711 1 237 . 1 1 82 82 ARG CA C 13 55.95 0.35 . 1 . . . . . . . . 4711 1 238 . 1 1 82 82 ARG N N 15 121.48 0.05 . 1 . . . . . . . . 4711 1 239 . 1 1 83 83 GLY H H 1 8.22 0.04 . 1 . . . . . . . . 4711 1 240 . 1 1 83 83 GLY CA C 13 44.70 0.35 . 1 . . . . . . . . 4711 1 241 . 1 1 83 83 GLY N N 15 109.60 0.05 . 1 . . . . . . . . 4711 1 242 . 1 1 84 84 PRO CA C 13 63.50 0.35 . 1 . . . . . . . . 4711 1 243 . 1 1 85 85 SER H H 1 8.45 0.04 . 1 . . . . . . . . 4711 1 244 . 1 1 85 85 SER CA C 13 58.67 0.35 . 1 . . . . . . . . 4711 1 245 . 1 1 85 85 SER N N 15 116.21 0.05 . 1 . . . . . . . . 4711 1 246 . 1 1 86 86 GLY H H 1 8.33 0.04 . 1 . . . . . . . . 4711 1 247 . 1 1 86 86 GLY CA C 13 45.65 0.35 . 1 . . . . . . . . 4711 1 248 . 1 1 86 86 GLY N N 15 110.78 0.05 . 1 . . . . . . . . 4711 1 249 . 1 1 87 87 GLY H H 1 8.21 0.04 . 1 . . . . . . . . 4711 1 250 . 1 1 87 87 GLY CA C 13 45.29 0.35 . 1 . . . . . . . . 4711 1 251 . 1 1 87 87 GLY N N 15 108.55 0.05 . 1 . . . . . . . . 4711 1 252 . 1 1 88 88 ASN H H 1 8.33 0.04 . 1 . . . . . . . . 4711 1 253 . 1 1 88 88 ASN CA C 13 53.32 0.35 . 1 . . . . . . . . 4711 1 254 . 1 1 88 88 ASN N N 15 118.81 0.05 . 1 . . . . . . . . 4711 1 255 . 1 1 89 89 ARG H H 1 8.39 0.04 . 1 . . . . . . . . 4711 1 256 . 1 1 89 89 ARG CA C 13 56.60 0.35 . 1 . . . . . . . . 4711 1 257 . 1 1 89 89 ARG N N 15 121.55 0.05 . 1 . . . . . . . . 4711 1 258 . 1 1 90 90 GLY H H 1 8.36 0.04 . 1 . . . . . . . . 4711 1 259 . 1 1 90 90 GLY CA C 13 45.45 0.35 . 1 . . . . . . . . 4711 1 260 . 1 1 90 90 GLY N N 15 109.54 0.05 . 1 . . . . . . . . 4711 1 261 . 1 1 91 91 GLY H H 1 8.14 0.04 . 1 . . . . . . . . 4711 1 262 . 1 1 91 91 GLY CA C 13 45.18 0.35 . 1 . . . . . . . . 4711 1 263 . 1 1 91 91 GLY N N 15 108.61 0.05 . 1 . . . . . . . . 4711 1 264 . 1 1 92 92 TYR H H 1 8.12 0.04 . 1 . . . . . . . . 4711 1 265 . 1 1 92 92 TYR CA C 13 58.21 0.35 . 1 . . . . . . . . 4711 1 266 . 1 1 92 92 TYR N N 15 120.33 0.05 . 1 . . . . . . . . 4711 1 267 . 1 1 93 93 GLY H H 1 8.41 0.04 . 1 . . . . . . . . 4711 1 268 . 1 1 93 93 GLY CA C 13 45.41 0.35 . 1 . . . . . . . . 4711 1 269 . 1 1 93 93 GLY N N 15 111.40 0.05 . 1 . . . . . . . . 4711 1 270 . 1 1 94 94 GLY H H 1 7.93 0.04 . 1 . . . . . . . . 4711 1 271 . 1 1 94 94 GLY CA C 13 45.32 0.35 . 1 . . . . . . . . 4711 1 272 . 1 1 94 94 GLY N N 15 108.54 0.05 . 1 . . . . . . . . 4711 1 273 . 1 1 95 95 GLY H H 1 8.36 0.04 . 1 . . . . . . . . 4711 1 274 . 1 1 95 95 GLY CA C 13 45.40 0.35 . 1 . . . . . . . . 4711 1 275 . 1 1 95 95 GLY N N 15 109.01 0.05 . 1 . . . . . . . . 4711 1 276 . 1 1 96 96 GLY H H 1 8.32 0.04 . 1 . . . . . . . . 4711 1 277 . 1 1 96 96 GLY CA C 13 45.37 0.35 . 1 . . . . . . . . 4711 1 278 . 1 1 96 96 GLY N N 15 108.96 0.05 . 1 . . . . . . . . 4711 1 279 . 1 1 97 97 GLY H H 1 8.29 0.04 . 1 . . . . . . . . 4711 1 280 . 1 1 97 97 GLY CA C 13 45.34 0.35 . 1 . . . . . . . . 4711 1 281 . 1 1 97 97 GLY N N 15 108.90 0.05 . 1 . . . . . . . . 4711 1 282 . 1 1 98 98 ARG H H 1 8.15 0.04 . 1 . . . . . . . . 4711 1 283 . 1 1 98 98 ARG CA C 13 56.14 0.35 . 1 . . . . . . . . 4711 1 284 . 1 1 98 98 ARG N N 15 120.33 0.05 . 1 . . . . . . . . 4711 1 285 . 1 1 99 99 ASN H H 1 8.40 0.04 . 1 . . . . . . . . 4711 1 286 . 1 1 99 99 ASN CA C 13 53.34 0.35 . 1 . . . . . . . . 4711 1 287 . 1 1 99 99 ASN N N 15 119.50 0.05 . 1 . . . . . . . . 4711 1 288 . 1 1 100 100 ARG H H 1 8.06 0.04 . 1 . . . . . . . . 4711 1 289 . 1 1 100 100 ARG CA C 13 56.10 0.35 . 1 . . . . . . . . 4711 1 290 . 1 1 100 100 ARG N N 15 121.17 0.05 . 1 . . . . . . . . 4711 1 291 . 1 1 101 101 TYR H H 1 7.66 0.04 . 1 . . . . . . . . 4711 1 292 . 1 1 101 101 TYR CA C 13 59.08 0.35 . 1 . . . . . . . . 4711 1 293 . 1 1 101 101 TYR N N 15 125.71 0.05 . 1 . . . . . . . . 4711 1 stop_ save_