################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6556 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 6556 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 2 2 SER HA H 1 4.476 0.02 . 1 . . . . . . . . 6556 1 2 . 1 1 2 2 SER HB2 H 1 4.021 0.02 . 2 . . . . . . . . 6556 1 3 . 1 1 2 2 SER HB3 H 1 3.934 0.02 . 2 . . . . . . . . 6556 1 4 . 1 1 2 2 SER CA C 13 58.903 0.5 . 1 . . . . . . . . 6556 1 5 . 1 1 2 2 SER CB C 13 63.840 0.5 . 1 . . . . . . . . 6556 1 6 . 1 1 3 3 ALA H H 1 8.777 0.02 . 1 . . . . . . . . 6556 1 7 . 1 1 3 3 ALA HA H 1 4.318 0.02 . 1 . . . . . . . . 6556 1 8 . 1 1 3 3 ALA HB1 H 1 1.455 0.02 . 1 . . . . . . . . 6556 1 9 . 1 1 3 3 ALA HB2 H 1 1.455 0.02 . 1 . . . . . . . . 6556 1 10 . 1 1 3 3 ALA HB3 H 1 1.455 0.02 . 1 . . . . . . . . 6556 1 11 . 1 1 3 3 ALA CA C 13 54.018 0.5 . 1 . . . . . . . . 6556 1 12 . 1 1 3 3 ALA CB C 13 18.549 0.5 . 1 . . . . . . . . 6556 1 13 . 1 1 3 3 ALA N N 15 125.641 0.3 . 1 . . . . . . . . 6556 1 14 . 1 1 4 4 ASP H H 1 8.209 0.02 . 1 . . . . . . . . 6556 1 15 . 1 1 4 4 ASP HA H 1 4.496 0.02 . 1 . . . . . . . . 6556 1 16 . 1 1 4 4 ASP HB2 H 1 2.645 0.02 . 2 . . . . . . . . 6556 1 17 . 1 1 4 4 ASP HB3 H 1 2.750 0.02 . 2 . . . . . . . . 6556 1 18 . 1 1 4 4 ASP CA C 13 56.004 0.5 . 1 . . . . . . . . 6556 1 19 . 1 1 4 4 ASP CB C 13 40.731 0.5 . 1 . . . . . . . . 6556 1 20 . 1 1 4 4 ASP N N 15 118.092 0.3 . 1 . . . . . . . . 6556 1 21 . 1 1 5 5 GLU H H 1 8.182 0.02 . 1 . . . . . . . . 6556 1 22 . 1 1 5 5 GLU HA H 1 4.128 0.02 . 1 . . . . . . . . 6556 1 23 . 1 1 5 5 GLU HB2 H 1 2.104 0.02 . 1 . . . . . . . . 6556 1 24 . 1 1 5 5 GLU HB3 H 1 2.104 0.02 . 1 . . . . . . . . 6556 1 25 . 1 1 5 5 GLU HG2 H 1 2.363 0.02 . 1 . . . . . . . . 6556 1 26 . 1 1 5 5 GLU HG3 H 1 2.363 0.02 . 1 . . . . . . . . 6556 1 27 . 1 1 5 5 GLU CA C 13 58.706 0.5 . 1 . . . . . . . . 6556 1 28 . 1 1 5 5 GLU CB C 13 29.555 0.5 . 1 . . . . . . . . 6556 1 29 . 1 1 5 5 GLU CG C 13 36.448 0.5 . 1 . . . . . . . . 6556 1 30 . 1 1 5 5 GLU N N 15 121.240 0.3 . 1 . . . . . . . . 6556 1 31 . 1 1 6 6 GLU H H 1 8.281 0.02 . 1 . . . . . . . . 6556 1 32 . 1 1 6 6 GLU HA H 1 4.176 0.02 . 1 . . . . . . . . 6556 1 33 . 1 1 6 6 GLU HB2 H 1 2.104 0.02 . 1 . . . . . . . . 6556 1 34 . 1 1 6 6 GLU HB3 H 1 2.104 0.02 . 1 . . . . . . . . 6556 1 35 . 1 1 6 6 GLU HG2 H 1 2.366 0.02 . 2 . . . . . . . . 6556 1 36 . 1 1 6 6 GLU HG3 H 1 2.262 0.02 . 2 . . . . . . . . 6556 1 37 . 1 1 6 6 GLU CA C 13 58.573 0.5 . 1 . . . . . . . . 6556 1 38 . 1 1 6 6 GLU N N 15 121.238 0.3 . 1 . . . . . . . . 6556 1 39 . 1 1 7 7 LEU H H 1 8.011 0.02 . 1 . . . . . . . . 6556 1 40 . 1 1 7 7 LEU HA H 1 4.197 0.02 . 1 . . . . . . . . 6556 1 41 . 1 1 7 7 LEU HB2 H 1 1.677 0.02 . 2 . . . . . . . . 6556 1 42 . 1 1 7 7 LEU HB3 H 1 1.852 0.02 . 2 . . . . . . . . 6556 1 43 . 1 1 7 7 LEU HD11 H 1 0.966 0.02 . 2 . . . . . . . . 6556 1 44 . 1 1 7 7 LEU HD12 H 1 0.966 0.02 . 2 . . . . . . . . 6556 1 45 . 1 1 7 7 LEU HD13 H 1 0.966 0.02 . 2 . . . . . . . . 6556 1 46 . 1 1 7 7 LEU CA C 13 57.573 0.5 . 1 . . . . . . . . 6556 1 47 . 1 1 7 7 LEU N N 15 121.169 0.3 . 1 . . . . . . . . 6556 1 48 . 1 1 8 8 GLU H H 1 8.145 0.02 . 1 . . . . . . . . 6556 1 49 . 1 1 8 8 GLU HA H 1 4.207 0.02 . 1 . . . . . . . . 6556 1 50 . 1 1 8 8 GLU HB2 H 1 2.069 0.02 . 1 . . . . . . . . 6556 1 51 . 1 1 8 8 GLU HB3 H 1 2.069 0.02 . 1 . . . . . . . . 6556 1 52 . 1 1 8 8 GLU HG2 H 1 2.352 0.02 . 1 . . . . . . . . 6556 1 53 . 1 1 8 8 GLU HG3 H 1 2.352 0.02 . 1 . . . . . . . . 6556 1 54 . 1 1 8 8 GLU CA C 13 58.658 0.5 . 1 . . . . . . . . 6556 1 55 . 1 1 8 8 GLU N N 15 120.643 0.3 . 1 . . . . . . . . 6556 1 56 . 1 1 9 9 ALA H H 1 8.063 0.02 . 1 . . . . . . . . 6556 1 57 . 1 1 9 9 ALA HA H 1 4.105 0.02 . 1 . . . . . . . . 6556 1 58 . 1 1 9 9 ALA HB1 H 1 1.518 0.02 . 1 . . . . . . . . 6556 1 59 . 1 1 9 9 ALA HB2 H 1 1.518 0.02 . 1 . . . . . . . . 6556 1 60 . 1 1 9 9 ALA HB3 H 1 1.518 0.02 . 1 . . . . . . . . 6556 1 61 . 1 1 9 9 ALA CA C 13 55.148 0.5 . 1 . . . . . . . . 6556 1 62 . 1 1 9 9 ALA CB C 13 17.880 0.5 . 1 . . . . . . . . 6556 1 63 . 1 1 9 9 ALA N N 15 122.218 0.3 . 1 . . . . . . . . 6556 1 64 . 1 1 10 10 LEU H H 1 7.891 0.02 . 1 . . . . . . . . 6556 1 65 . 1 1 10 10 LEU HA H 1 4.164 0.02 . 1 . . . . . . . . 6556 1 66 . 1 1 10 10 LEU HB2 H 1 1.713 0.02 . 2 . . . . . . . . 6556 1 67 . 1 1 10 10 LEU HB3 H 1 1.859 0.02 . 2 . . . . . . . . 6556 1 68 . 1 1 10 10 LEU HD11 H 1 0.942 0.02 . 2 . . . . . . . . 6556 1 69 . 1 1 10 10 LEU HD12 H 1 0.942 0.02 . 2 . . . . . . . . 6556 1 70 . 1 1 10 10 LEU HD13 H 1 0.942 0.02 . 2 . . . . . . . . 6556 1 71 . 1 1 10 10 LEU CA C 13 57.624 0.5 . 1 . . . . . . . . 6556 1 72 . 1 1 10 10 LEU N N 15 119.857 0.3 . 1 . . . . . . . . 6556 1 73 . 1 1 11 11 ARG H H 1 8.118 0.02 . 1 . . . . . . . . 6556 1 74 . 1 1 11 11 ARG HA H 1 4.012 0.02 . 1 . . . . . . . . 6556 1 75 . 1 1 11 11 ARG HB2 H 1 1.967 0.02 . 1 . . . . . . . . 6556 1 76 . 1 1 11 11 ARG HB3 H 1 1.967 0.02 . 1 . . . . . . . . 6556 1 77 . 1 1 11 11 ARG HG2 H 1 1.572 0.02 . 2 . . . . . . . . 6556 1 78 . 1 1 11 11 ARG HG3 H 1 1.791 0.02 . 2 . . . . . . . . 6556 1 79 . 1 1 11 11 ARG HD2 H 1 3.226 0.02 . 1 . . . . . . . . 6556 1 80 . 1 1 11 11 ARG HD3 H 1 3.226 0.02 . 1 . . . . . . . . 6556 1 81 . 1 1 11 11 ARG CA C 13 59.448 0.5 . 1 . . . . . . . . 6556 1 82 . 1 1 11 11 ARG N N 15 120.832 0.3 . 1 . . . . . . . . 6556 1 83 . 1 1 12 12 ARG H H 1 8.226 0.02 . 1 . . . . . . . . 6556 1 84 . 1 1 12 12 ARG HA H 1 4.029 0.02 . 1 . . . . . . . . 6556 1 85 . 1 1 12 12 ARG HB2 H 1 1.922 0.02 . 1 . . . . . . . . 6556 1 86 . 1 1 12 12 ARG HB3 H 1 1.922 0.02 . 1 . . . . . . . . 6556 1 87 . 1 1 12 12 ARG HG2 H 1 1.628 0.02 . 1 . . . . . . . . 6556 1 88 . 1 1 12 12 ARG HG3 H 1 1.628 0.02 . 1 . . . . . . . . 6556 1 89 . 1 1 12 12 ARG HD2 H 1 3.236 0.02 . 1 . . . . . . . . 6556 1 90 . 1 1 12 12 ARG HD3 H 1 3.236 0.02 . 1 . . . . . . . . 6556 1 91 . 1 1 12 12 ARG CA C 13 59.342 0.5 . 1 . . . . . . . . 6556 1 92 . 1 1 12 12 ARG N N 15 118.536 0.3 . 1 . . . . . . . . 6556 1 93 . 1 1 13 13 GLN H H 1 8.093 0.02 . 1 . . . . . . . . 6556 1 94 . 1 1 13 13 GLN HA H 1 4.158 0.02 . 1 . . . . . . . . 6556 1 95 . 1 1 13 13 GLN HB2 H 1 2.222 0.02 . 1 . . . . . . . . 6556 1 96 . 1 1 13 13 GLN HB3 H 1 2.222 0.02 . 1 . . . . . . . . 6556 1 97 . 1 1 13 13 GLN HG2 H 1 2.451 0.02 . 1 . . . . . . . . 6556 1 98 . 1 1 13 13 GLN HG3 H 1 2.451 0.02 . 1 . . . . . . . . 6556 1 99 . 1 1 13 13 GLN CA C 13 58.452 0.5 . 1 . . . . . . . . 6556 1 100 . 1 1 13 13 GLN N N 15 120.796 0.3 . 1 . . . . . . . . 6556 1 101 . 1 1 14 14 ARG H H 1 8.216 0.02 . 1 . . . . . . . . 6556 1 102 . 1 1 14 14 ARG HA H 1 4.180 0.02 . 1 . . . . . . . . 6556 1 103 . 1 1 14 14 ARG HB2 H 1 1.960 0.02 . 1 . . . . . . . . 6556 1 104 . 1 1 14 14 ARG HB3 H 1 1.960 0.02 . 1 . . . . . . . . 6556 1 105 . 1 1 14 14 ARG HG2 H 1 1.750 0.02 . 1 . . . . . . . . 6556 1 106 . 1 1 14 14 ARG HG3 H 1 1.750 0.02 . 1 . . . . . . . . 6556 1 107 . 1 1 14 14 ARG HD2 H 1 3.223 0.02 . 1 . . . . . . . . 6556 1 108 . 1 1 14 14 ARG HD3 H 1 3.223 0.02 . 1 . . . . . . . . 6556 1 109 . 1 1 14 14 ARG CA C 13 58.573 0.5 . 1 . . . . . . . . 6556 1 110 . 1 1 14 14 ARG N N 15 119.987 0.3 . 1 . . . . . . . . 6556 1 111 . 1 1 15 15 LEU H H 1 7.973 0.02 . 1 . . . . . . . . 6556 1 112 . 1 1 15 15 LEU HA H 1 4.182 0.02 . 1 . . . . . . . . 6556 1 113 . 1 1 15 15 LEU HB2 H 1 1.788 0.02 . 2 . . . . . . . . 6556 1 114 . 1 1 15 15 LEU HB3 H 1 1.644 0.02 . 2 . . . . . . . . 6556 1 115 . 1 1 15 15 LEU HD11 H 1 0.908 0.02 . 2 . . . . . . . . 6556 1 116 . 1 1 15 15 LEU HD12 H 1 0.908 0.02 . 2 . . . . . . . . 6556 1 117 . 1 1 15 15 LEU HD13 H 1 0.908 0.02 . 2 . . . . . . . . 6556 1 118 . 1 1 15 15 LEU CA C 13 56.845 0.5 . 1 . . . . . . . . 6556 1 119 . 1 1 15 15 LEU N N 15 120.046 0.3 . 1 . . . . . . . . 6556 1 120 . 1 1 16 16 ALA H H 1 7.935 0.02 . 1 . . . . . . . . 6556 1 121 . 1 1 16 16 ALA HA H 1 4.205 0.02 . 1 . . . . . . . . 6556 1 122 . 1 1 16 16 ALA HB1 H 1 1.516 0.02 . 1 . . . . . . . . 6556 1 123 . 1 1 16 16 ALA HB2 H 1 1.516 0.02 . 1 . . . . . . . . 6556 1 124 . 1 1 16 16 ALA HB3 H 1 1.516 0.02 . 1 . . . . . . . . 6556 1 125 . 1 1 16 16 ALA CA C 13 54.401 0.5 . 1 . . . . . . . . 6556 1 126 . 1 1 16 16 ALA CB C 13 18.090 0.5 . 1 . . . . . . . . 6556 1 127 . 1 1 16 16 ALA N N 15 122.150 0.3 . 1 . . . . . . . . 6556 1 128 . 1 1 17 17 GLU H H 1 8.045 0.02 . 1 . . . . . . . . 6556 1 129 . 1 1 17 17 GLU HA H 1 4.134 0.02 . 1 . . . . . . . . 6556 1 130 . 1 1 17 17 GLU HB2 H 1 2.136 0.02 . 1 . . . . . . . . 6556 1 131 . 1 1 17 17 GLU HB3 H 1 2.136 0.02 . 1 . . . . . . . . 6556 1 132 . 1 1 17 17 GLU HG2 H 1 2.470 0.02 . 2 . . . . . . . . 6556 1 133 . 1 1 17 17 GLU HG3 H 1 2.277 0.02 . 2 . . . . . . . . 6556 1 134 . 1 1 17 17 GLU CA C 13 58.273 0.5 . 1 . . . . . . . . 6556 1 135 . 1 1 17 17 GLU N N 15 118.925 0.3 . 1 . . . . . . . . 6556 1 136 . 1 1 18 18 LEU H H 1 7.909 0.02 . 1 . . . . . . . . 6556 1 137 . 1 1 18 18 LEU HA H 1 4.176 0.02 . 1 . . . . . . . . 6556 1 138 . 1 1 18 18 LEU HB2 H 1 1.831 0.02 . 2 . . . . . . . . 6556 1 139 . 1 1 18 18 LEU HB3 H 1 1.679 0.02 . 2 . . . . . . . . 6556 1 140 . 1 1 18 18 LEU HD11 H 1 0.909 0.02 . 2 . . . . . . . . 6556 1 141 . 1 1 18 18 LEU HD12 H 1 0.909 0.02 . 2 . . . . . . . . 6556 1 142 . 1 1 18 18 LEU HD13 H 1 0.909 0.02 . 2 . . . . . . . . 6556 1 143 . 1 1 18 18 LEU CA C 13 57.477 0.5 . 1 . . . . . . . . 6556 1 144 . 1 1 18 18 LEU N N 15 120.628 0.3 . 1 . . . . . . . . 6556 1 145 . 1 1 19 19 GLN H H 1 8.071 0.02 . 1 . . . . . . . . 6556 1 146 . 1 1 19 19 GLN HA H 1 4.182 0.02 . 1 . . . . . . . . 6556 1 147 . 1 1 19 19 GLN HB2 H 1 2.114 0.02 . 1 . . . . . . . . 6556 1 148 . 1 1 19 19 GLN HB3 H 1 2.114 0.02 . 1 . . . . . . . . 6556 1 149 . 1 1 19 19 GLN HG2 H 1 2.476 0.02 . 1 . . . . . . . . 6556 1 150 . 1 1 19 19 GLN HG3 H 1 2.476 0.02 . 1 . . . . . . . . 6556 1 151 . 1 1 19 19 GLN CA C 13 56.854 0.5 . 1 . . . . . . . . 6556 1 152 . 1 1 19 19 GLN N N 15 118.908 0.3 . 1 . . . . . . . . 6556 1 153 . 1 1 20 20 ALA H H 1 7.913 0.02 . 1 . . . . . . . . 6556 1 154 . 1 1 20 20 ALA HA H 1 4.250 0.02 . 1 . . . . . . . . 6556 1 155 . 1 1 20 20 ALA HB1 H 1 1.431 0.02 . 1 . . . . . . . . 6556 1 156 . 1 1 20 20 ALA HB2 H 1 1.431 0.02 . 1 . . . . . . . . 6556 1 157 . 1 1 20 20 ALA HB3 H 1 1.431 0.02 . 1 . . . . . . . . 6556 1 158 . 1 1 20 20 ALA CA C 13 53.094 0.5 . 1 . . . . . . . . 6556 1 159 . 1 1 20 20 ALA CB C 13 18.796 0.5 . 1 . . . . . . . . 6556 1 160 . 1 1 20 20 ALA N N 15 122.990 0.3 . 1 . . . . . . . . 6556 1 161 . 1 1 21 21 LYS H H 1 7.966 0.02 . 1 . . . . . . . . 6556 1 162 . 1 1 21 21 LYS HA H 1 4.251 0.02 . 1 . . . . . . . . 6556 1 163 . 1 1 21 21 LYS HB2 H 1 1.785 0.02 . 1 . . . . . . . . 6556 1 164 . 1 1 21 21 LYS HB3 H 1 1.785 0.02 . 1 . . . . . . . . 6556 1 165 . 1 1 21 21 LYS HG2 H 1 1.453 0.02 . 2 . . . . . . . . 6556 1 166 . 1 1 21 21 LYS HG3 H 1 1.377 0.02 . 2 . . . . . . . . 6556 1 167 . 1 1 21 21 LYS HD2 H 1 1.668 0.02 . 1 . . . . . . . . 6556 1 168 . 1 1 21 21 LYS HD3 H 1 1.668 0.02 . 1 . . . . . . . . 6556 1 169 . 1 1 21 21 LYS HE2 H 1 2.980 0.02 . 1 . . . . . . . . 6556 1 170 . 1 1 21 21 LYS HE3 H 1 2.980 0.02 . 1 . . . . . . . . 6556 1 171 . 1 1 21 21 LYS CA C 13 56.523 0.5 . 1 . . . . . . . . 6556 1 172 . 1 1 21 21 LYS CB C 13 32.820 0.5 . 1 . . . . . . . . 6556 1 173 . 1 1 21 21 LYS CG C 13 24.785 0.5 . 1 . . . . . . . . 6556 1 174 . 1 1 21 21 LYS CD C 13 28.971 0.5 . 1 . . . . . . . . 6556 1 175 . 1 1 21 21 LYS CE C 13 41.900 0.5 . 1 . . . . . . . . 6556 1 176 . 1 1 21 21 LYS N N 15 119.221 0.3 . 1 . . . . . . . . 6556 1 177 . 1 1 22 22 HIS H H 1 8.212 0.02 . 1 . . . . . . . . 6556 1 178 . 1 1 22 22 HIS HA H 1 4.659 0.02 . 1 . . . . . . . . 6556 1 179 . 1 1 22 22 HIS HB2 H 1 3.127 0.02 . 2 . . . . . . . . 6556 1 180 . 1 1 22 22 HIS HB3 H 1 3.233 0.02 . 2 . . . . . . . . 6556 1 181 . 1 1 22 22 HIS HE1 H 1 7.963 0.02 . 1 . . . . . . . . 6556 1 182 . 1 1 22 22 HIS CA C 13 56.154 0.5 . 1 . . . . . . . . 6556 1 183 . 1 1 22 22 HIS CB C 13 30.392 0.5 . 1 . . . . . . . . 6556 1 184 . 1 1 22 22 HIS N N 15 119.726 0.3 . 1 . . . . . . . . 6556 1 185 . 1 1 23 23 GLY H H 1 8.291 0.02 . 1 . . . . . . . . 6556 1 186 . 1 1 23 23 GLY HA2 H 1 3.948 0.02 . 1 . . . . . . . . 6556 1 187 . 1 1 23 23 GLY HA3 H 1 3.948 0.02 . 1 . . . . . . . . 6556 1 188 . 1 1 23 23 GLY CA C 13 44.932 0.5 . 1 . . . . . . . . 6556 1 189 . 1 1 23 23 GLY N N 15 109.967 0.3 . 1 . . . . . . . . 6556 1 190 . 1 1 24 24 ASP H H 1 8.321 0.02 . 1 . . . . . . . . 6556 1 191 . 1 1 24 24 ASP HA H 1 4.916 0.02 . 1 . . . . . . . . 6556 1 192 . 1 1 24 24 ASP HB2 H 1 2.546 0.02 . 2 . . . . . . . . 6556 1 193 . 1 1 24 24 ASP HB3 H 1 2.742 0.02 . 2 . . . . . . . . 6556 1 194 . 1 1 24 24 ASP CA C 13 52.428 0.5 . 1 . . . . . . . . 6556 1 195 . 1 1 24 24 ASP CB C 13 41.284 0.5 . 1 . . . . . . . . 6556 1 196 . 1 1 24 24 ASP N N 15 122.189 0.3 . 1 . . . . . . . . 6556 1 197 . 1 1 25 25 PRO HA H 1 4.440 0.02 . 1 . . . . . . . . 6556 1 198 . 1 1 25 25 PRO HB2 H 1 2.298 0.02 . 2 . . . . . . . . 6556 1 199 . 1 1 25 25 PRO HB3 H 1 2.026 0.02 . 2 . . . . . . . . 6556 1 200 . 1 1 25 25 PRO HG2 H 1 2.055 0.02 . 1 . . . . . . . . 6556 1 201 . 1 1 25 25 PRO HG3 H 1 2.055 0.02 . 1 . . . . . . . . 6556 1 202 . 1 1 25 25 PRO HD2 H 1 3.865 0.02 . 2 . . . . . . . . 6556 1 203 . 1 1 25 25 PRO HD3 H 1 3.784 0.02 . 2 . . . . . . . . 6556 1 204 . 1 1 25 25 PRO CA C 13 63.769 0.5 . 1 . . . . . . . . 6556 1 205 . 1 1 25 25 PRO CB C 13 32.154 0.5 . 1 . . . . . . . . 6556 1 206 . 1 1 25 25 PRO CG C 13 27.240 0.5 . 1 . . . . . . . . 6556 1 207 . 1 1 25 25 PRO CD C 13 50.754 0.5 . 1 . . . . . . . . 6556 1 208 . 1 1 26 26 GLY H H 1 8.490 0.02 . 1 . . . . . . . . 6556 1 209 . 1 1 26 26 GLY HA2 H 1 3.934 0.02 . 1 . . . . . . . . 6556 1 210 . 1 1 26 26 GLY HA3 H 1 3.934 0.02 . 1 . . . . . . . . 6556 1 211 . 1 1 26 26 GLY CA C 13 45.104 0.5 . 1 . . . . . . . . 6556 1 212 . 1 1 26 26 GLY N N 15 109.540 0.3 . 1 . . . . . . . . 6556 1 213 . 1 1 27 27 ASP H H 1 7.868 0.02 . 1 . . . . . . . . 6556 1 214 . 1 1 27 27 ASP HA H 1 4.404 0.02 . 1 . . . . . . . . 6556 1 215 . 1 1 27 27 ASP HB2 H 1 2.566 0.02 . 2 . . . . . . . . 6556 1 216 . 1 1 27 27 ASP HB3 H 1 2.675 0.02 . 2 . . . . . . . . 6556 1 217 . 1 1 27 27 ASP CA C 13 55.850 0.5 . 1 . . . . . . . . 6556 1 218 . 1 1 27 27 ASP N N 15 126.090 0.3 . 1 . . . . . . . . 6556 1 stop_ save_