################################### # 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 6867 _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 . 6867 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 PRO CA C 13 62.223 0.01 . 1 . . . . . . . . 6867 1 2 . 1 1 1 1 PRO C C 13 172.148 0.01 . 1 . . . . . . . . 6867 1 3 . 1 1 1 1 PRO CB C 13 31.404 0.01 . 1 . . . . . . . . 6867 1 4 . 1 1 2 2 ALA H H 1 8.637 0.01 . 1 . . . . . . . . 6867 1 5 . 1 1 2 2 ALA N N 15 123.301 0.01 . 1 . . . . . . . . 6867 1 6 . 1 1 2 2 ALA CA C 13 52.819 0.01 . 1 . . . . . . . . 6867 1 7 . 1 1 2 2 ALA HA H 1 4.408 0.01 . 1 . . . . . . . . 6867 1 8 . 1 1 2 2 ALA C C 13 177.320 0.01 . 1 . . . . . . . . 6867 1 9 . 1 1 2 2 ALA CB C 13 18.259 0.01 . 1 . . . . . . . . 6867 1 10 . 1 1 3 3 VAL H H 1 7.803 0.01 . 1 . . . . . . . . 6867 1 11 . 1 1 3 3 VAL N N 15 116.292 0.01 . 1 . . . . . . . . 6867 1 12 . 1 1 3 3 VAL CA C 13 61.922 0.01 . 1 . . . . . . . . 6867 1 13 . 1 1 3 3 VAL HA H 1 4.135 0.01 . 1 . . . . . . . . 6867 1 14 . 1 1 3 3 VAL C C 13 176.322 0.01 . 1 . . . . . . . . 6867 1 15 . 1 1 3 3 VAL CB C 13 32.089 0.01 . 1 . . . . . . . . 6867 1 16 . 1 1 4 4 GLY H H 1 8.245 0.01 . 1 . . . . . . . . 6867 1 17 . 1 1 4 4 GLY N N 15 110.332 0.01 . 1 . . . . . . . . 6867 1 18 . 1 1 4 4 GLY CA C 13 45.521 0.01 . 1 . . . . . . . . 6867 1 19 . 1 1 4 4 GLY HA3 H 1 4.097 0.01 . 2 . . . . . . . . 6867 1 20 . 1 1 4 4 GLY C C 13 175.451 0.01 . 1 . . . . . . . . 6867 1 21 . 1 1 4 4 GLY HA2 H 1 4.038 0.01 . 2 . . . . . . . . 6867 1 22 . 1 1 5 5 ILE H H 1 8.015 0.01 . 1 . . . . . . . . 6867 1 23 . 1 1 5 5 ILE N N 15 120.517 0.01 . 1 . . . . . . . . 6867 1 24 . 1 1 5 5 ILE CA C 13 62.952 0.01 . 1 . . . . . . . . 6867 1 25 . 1 1 5 5 ILE HA H 1 3.936 0.01 . 1 . . . . . . . . 6867 1 26 . 1 1 5 5 ILE C C 13 177.059 0.01 . 1 . . . . . . . . 6867 1 27 . 1 1 5 5 ILE CB C 13 37.030 0.01 . 1 . . . . . . . . 6867 1 28 . 1 1 6 6 GLY H H 1 8.494 0.01 . 1 . . . . . . . . 6867 1 29 . 1 1 6 6 GLY N N 15 108.814 0.01 . 1 . . . . . . . . 6867 1 30 . 1 1 6 6 GLY CA C 13 47.267 0.01 . 1 . . . . . . . . 6867 1 31 . 1 1 6 6 GLY HA3 H 1 3.953 0.01 . 2 . . . . . . . . 6867 1 32 . 1 1 6 6 GLY C C 13 174.924 0.01 . 1 . . . . . . . . 6867 1 33 . 1 1 6 6 GLY HA2 H 1 3.758 0.01 . 2 . . . . . . . . 6867 1 34 . 1 1 7 7 ALA H H 1 7.858 0.01 . 1 . . . . . . . . 6867 1 35 . 1 1 7 7 ALA N N 15 122.321 0.01 . 1 . . . . . . . . 6867 1 36 . 1 1 7 7 ALA CA C 13 54.374 0.01 . 1 . . . . . . . . 6867 1 37 . 1 1 7 7 ALA HA H 1 4.124 0.01 . 1 . . . . . . . . 6867 1 38 . 1 1 7 7 ALA C C 13 181.229 0.01 . 1 . . . . . . . . 6867 1 39 . 1 1 7 7 ALA CB C 13 17.467 0.01 . 1 . . . . . . . . 6867 1 40 . 1 1 8 8 LEU H H 1 7.894 0.01 . 1 . . . . . . . . 6867 1 41 . 1 1 8 8 LEU N N 15 119.852 0.01 . 1 . . . . . . . . 6867 1 42 . 1 1 8 8 LEU CA C 13 57.254 0.01 . 1 . . . . . . . . 6867 1 43 . 1 1 8 8 LEU HA H 1 4.129 0.01 . 1 . . . . . . . . 6867 1 44 . 1 1 8 8 LEU C C 13 179.276 0.01 . 1 . . . . . . . . 6867 1 45 . 1 1 8 8 LEU CB C 13 41.014 0.01 . 1 . . . . . . . . 6867 1 46 . 1 1 9 9 PHE H H 1 8.321 0.01 . 1 . . . . . . . . 6867 1 47 . 1 1 9 9 PHE N N 15 118.961 0.01 . 1 . . . . . . . . 6867 1 48 . 1 1 9 9 PHE CA C 13 60.597 0.01 . 1 . . . . . . . . 6867 1 49 . 1 1 9 9 PHE HA H 1 4.362 0.01 . 1 . . . . . . . . 6867 1 50 . 1 1 9 9 PHE C C 13 177.364 0.01 . 1 . . . . . . . . 6867 1 51 . 1 1 9 9 PHE CB C 13 38.619 0.01 . 1 . . . . . . . . 6867 1 52 . 1 1 10 10 LEU H H 1 8.520 0.01 . 1 . . . . . . . . 6867 1 53 . 1 1 10 10 LEU N N 15 118.128 0.01 . 1 . . . . . . . . 6867 1 54 . 1 1 10 10 LEU CA C 13 57.545 0.01 . 1 . . . . . . . . 6867 1 55 . 1 1 10 10 LEU HA H 1 4.002 0.01 . 1 . . . . . . . . 6867 1 56 . 1 1 10 10 LEU C C 13 180.452 0.01 . 1 . . . . . . . . 6867 1 57 . 1 1 10 10 LEU CB C 13 40.317 0.01 . 1 . . . . . . . . 6867 1 58 . 1 1 11 11 GLY H H 1 8.152 0.01 . 1 . . . . . . . . 6867 1 59 . 1 1 11 11 GLY N N 15 107.337 0.01 . 1 . . . . . . . . 6867 1 60 . 1 1 11 11 GLY CA C 13 46.330 0.01 . 1 . . . . . . . . 6867 1 61 . 1 1 11 11 GLY HA3 H 1 3.924 0.01 . 2 . . . . . . . . 6867 1 62 . 1 1 11 11 GLY C C 13 176.476 0.01 . 1 . . . . . . . . 6867 1 63 . 1 1 11 11 GLY HA2 H 1 3.886 0.01 . 2 . . . . . . . . 6867 1 64 . 1 1 12 12 PHE H H 1 8.010 0.01 . 1 . . . . . . . . 6867 1 65 . 1 1 12 12 PHE N N 15 122.887 0.01 . 1 . . . . . . . . 6867 1 66 . 1 1 12 12 PHE CA C 13 59.964 0.01 . 1 . . . . . . . . 6867 1 67 . 1 1 12 12 PHE HA H 1 4.454 0.01 . 1 . . . . . . . . 6867 1 68 . 1 1 12 12 PHE C C 13 177.294 0.01 . 1 . . . . . . . . 6867 1 69 . 1 1 12 12 PHE CB C 13 38.477 0.01 . 1 . . . . . . . . 6867 1 70 . 1 1 13 13 LEU H H 1 8.163 0.01 . 1 . . . . . . . . 6867 1 71 . 1 1 13 13 LEU N N 15 118.931 0.01 . 1 . . . . . . . . 6867 1 72 . 1 1 13 13 LEU CA C 13 56.958 0.01 . 1 . . . . . . . . 6867 1 73 . 1 1 13 13 LEU HA H 1 3.869 0.01 . 1 . . . . . . . . 6867 1 74 . 1 1 13 13 LEU C C 13 179.148 0.01 . 1 . . . . . . . . 6867 1 75 . 1 1 13 13 LEU CB C 13 40.738 0.01 . 1 . . . . . . . . 6867 1 76 . 1 1 14 14 GLY H H 1 8.122 0.01 . 1 . . . . . . . . 6867 1 77 . 1 1 14 14 GLY N N 15 105.416 0.01 . 1 . . . . . . . . 6867 1 78 . 1 1 14 14 GLY CA C 13 46.122 0.01 . 1 . . . . . . . . 6867 1 79 . 1 1 14 14 GLY C C 13 175.794 0.01 . 1 . . . . . . . . 6867 1 80 . 1 1 14 14 GLY HA2 H 1 3.897 0.01 . 2 . . . . . . . . 6867 1 81 . 1 1 15 15 ALA H H 1 7.813 0.01 . 1 . . . . . . . . 6867 1 82 . 1 1 15 15 ALA N N 15 124.130 0.01 . 1 . . . . . . . . 6867 1 83 . 1 1 15 15 ALA CA C 13 53.241 0.01 . 1 . . . . . . . . 6867 1 84 . 1 1 15 15 ALA HA H 1 4.305 0.01 . 1 . . . . . . . . 6867 1 85 . 1 1 15 15 ALA C C 13 179.265 0.01 . 1 . . . . . . . . 6867 1 86 . 1 1 15 15 ALA CB C 13 17.991 0.01 . 1 . . . . . . . . 6867 1 87 . 1 1 16 16 ALA H H 1 8.186 0.01 . 1 . . . . . . . . 6867 1 88 . 1 1 16 16 ALA N N 15 121.774 0.01 . 1 . . . . . . . . 6867 1 89 . 1 1 16 16 ALA CA C 13 53.665 0.01 . 1 . . . . . . . . 6867 1 90 . 1 1 16 16 ALA HA H 1 4.115 0.01 . 1 . . . . . . . . 6867 1 91 . 1 1 16 16 ALA C C 13 179.144 0.01 . 1 . . . . . . . . 6867 1 92 . 1 1 16 16 ALA CB C 13 17.644 0.01 . 1 . . . . . . . . 6867 1 93 . 1 1 17 17 GLY H H 1 8.355 0.01 . 1 . . . . . . . . 6867 1 94 . 1 1 17 17 GLY N N 15 105.730 0.01 . 1 . . . . . . . . 6867 1 95 . 1 1 17 17 GLY CA C 13 46.140 0.01 . 1 . . . . . . . . 6867 1 96 . 1 1 17 17 GLY HA3 H 1 3.956 0.01 . 2 . . . . . . . . 6867 1 97 . 1 1 17 17 GLY C C 13 175.454 0.01 . 1 . . . . . . . . 6867 1 98 . 1 1 17 17 GLY HA2 H 1 3.856 0.01 . 2 . . . . . . . . 6867 1 99 . 1 1 18 18 SER H H 1 7.994 0.01 . 1 . . . . . . . . 6867 1 100 . 1 1 18 18 SER N N 15 115.200 0.01 . 1 . . . . . . . . 6867 1 101 . 1 1 18 18 SER CA C 13 59.597 0.01 . 1 . . . . . . . . 6867 1 102 . 1 1 18 18 SER HA H 1 4.433 0.01 . 1 . . . . . . . . 6867 1 103 . 1 1 18 18 SER C C 13 175.969 0.01 . 1 . . . . . . . . 6867 1 104 . 1 1 18 18 SER CB C 13 63.366 0.01 . 1 . . . . . . . . 6867 1 105 . 1 1 19 19 THR H H 1 8.014 0.01 . 1 . . . . . . . . 6867 1 106 . 1 1 19 19 THR N N 15 115.913 0.01 . 1 . . . . . . . . 6867 1 107 . 1 1 19 19 THR CA C 13 63.385 0.01 . 1 . . . . . . . . 6867 1 108 . 1 1 19 19 THR HA H 1 4.275 0.01 . 1 . . . . . . . . 6867 1 109 . 1 1 19 19 THR C C 13 175.459 0.01 . 1 . . . . . . . . 6867 1 110 . 1 1 19 19 THR CB C 13 68.909 0.01 . 1 . . . . . . . . 6867 1 111 . 1 1 20 20 MET H H 1 8.155 0.01 . 1 . . . . . . . . 6867 1 112 . 1 1 20 20 MET N N 15 120.431 0.01 . 1 . . . . . . . . 6867 1 113 . 1 1 20 20 MET CA C 13 56.458 0.01 . 1 . . . . . . . . 6867 1 114 . 1 1 20 20 MET HA H 1 4.395 0.01 . 1 . . . . . . . . 6867 1 115 . 1 1 20 20 MET C C 13 177.194 0.01 . 1 . . . . . . . . 6867 1 116 . 1 1 20 20 MET CB C 13 31.981 0.01 . 1 . . . . . . . . 6867 1 117 . 1 1 21 21 GLY H H 1 8.215 0.01 . 1 . . . . . . . . 6867 1 118 . 1 1 21 21 GLY N N 15 108.005 0.01 . 1 . . . . . . . . 6867 1 119 . 1 1 21 21 GLY CA C 13 45.662 0.01 . 1 . . . . . . . . 6867 1 120 . 1 1 21 21 GLY HA3 H 1 3.988 0.01 . 2 . . . . . . . . 6867 1 121 . 1 1 21 21 GLY C C 13 174.894 0.01 . 1 . . . . . . . . 6867 1 122 . 1 1 21 21 GLY HA2 H 1 3.942 0.01 . 2 . . . . . . . . 6867 1 123 . 1 1 22 22 ALA H H 1 7.996 0.01 . 1 . . . . . . . . 6867 1 124 . 1 1 22 22 ALA N N 15 123.097 0.01 . 1 . . . . . . . . 6867 1 125 . 1 1 22 22 ALA CA C 13 52.970 0.01 . 1 . . . . . . . . 6867 1 126 . 1 1 22 22 ALA HA H 1 4.290 0.01 . 1 . . . . . . . . 6867 1 127 . 1 1 22 22 ALA C C 13 178.345 0.01 . 1 . . . . . . . . 6867 1 128 . 1 1 22 22 ALA CB C 13 18.236 0.01 . 1 . . . . . . . . 6867 1 129 . 1 1 23 23 ALA H H 1 8.094 0.01 . 1 . . . . . . . . 6867 1 130 . 1 1 23 23 ALA N N 15 120.976 0.01 . 1 . . . . . . . . 6867 1 131 . 1 1 23 23 ALA CA C 13 52.951 0.01 . 1 . . . . . . . . 6867 1 132 . 1 1 23 23 ALA HA H 1 4.288 0.01 . 1 . . . . . . . . 6867 1 133 . 1 1 23 23 ALA C C 13 178.229 0.01 . 1 . . . . . . . . 6867 1 134 . 1 1 23 23 ALA CB C 13 18.129 0.01 . 1 . . . . . . . . 6867 1 135 . 1 1 24 24 SER H H 1 8.082 0.01 . 1 . . . . . . . . 6867 1 136 . 1 1 24 24 SER N N 15 113.138 0.01 . 1 . . . . . . . . 6867 1 137 . 1 1 24 24 SER CA C 13 58.832 0.01 . 1 . . . . . . . . 6867 1 138 . 1 1 24 24 SER HA H 1 4.375 0.01 . 1 . . . . . . . . 6867 1 139 . 1 1 24 24 SER C C 13 174.938 0.01 . 1 . . . . . . . . 6867 1 140 . 1 1 24 24 SER CB C 13 63.425 0.01 . 1 . . . . . . . . 6867 1 141 . 1 1 25 25 MET H H 1 8.017 0.01 . 1 . . . . . . . . 6867 1 142 . 1 1 25 25 MET N N 15 121.011 0.01 . 1 . . . . . . . . 6867 1 143 . 1 1 25 25 MET CA C 13 55.836 0.01 . 1 . . . . . . . . 6867 1 144 . 1 1 25 25 MET HA H 1 4.500 0.01 . 1 . . . . . . . . 6867 1 145 . 1 1 25 25 MET C C 13 176.217 0.01 . 1 . . . . . . . . 6867 1 146 . 1 1 25 25 MET CB C 13 32.229 0.01 . 1 . . . . . . . . 6867 1 147 . 1 1 26 26 THR H H 1 8.050 0.01 . 1 . . . . . . . . 6867 1 148 . 1 1 26 26 THR N N 15 114.237 0.01 . 1 . . . . . . . . 6867 1 149 . 1 1 26 26 THR CA C 13 61.941 0.01 . 1 . . . . . . . . 6867 1 150 . 1 1 26 26 THR HA H 1 4.335 0.01 . 1 . . . . . . . . 6867 1 151 . 1 1 26 26 THR C C 13 174.454 0.01 . 1 . . . . . . . . 6867 1 152 . 1 1 26 26 THR CB C 13 69.373 0.01 . 1 . . . . . . . . 6867 1 153 . 1 1 27 27 LEU H H 1 8.042 0.01 . 1 . . . . . . . . 6867 1 154 . 1 1 27 27 LEU N N 15 123.240 0.01 . 1 . . . . . . . . 6867 1 155 . 1 1 27 27 LEU CA C 13 55.082 0.01 . 1 . . . . . . . . 6867 1 156 . 1 1 27 27 LEU HA H 1 4.413 0.01 . 1 . . . . . . . . 6867 1 157 . 1 1 27 27 LEU C C 13 177.147 0.01 . 1 . . . . . . . . 6867 1 158 . 1 1 27 27 LEU CB C 13 41.522 0.01 . 1 . . . . . . . . 6867 1 159 . 1 1 28 28 THR H H 1 8.018 0.01 . 1 . . . . . . . . 6867 1 160 . 1 1 28 28 THR N N 15 114.224 0.01 . 1 . . . . . . . . 6867 1 161 . 1 1 28 28 THR CA C 13 61.531 0.01 . 1 . . . . . . . . 6867 1 162 . 1 1 28 28 THR HA H 1 4.367 0.01 . 1 . . . . . . . . 6867 1 163 . 1 1 28 28 THR C C 13 174.483 0.01 . 1 . . . . . . . . 6867 1 164 . 1 1 28 28 THR CB C 13 69.461 0.01 . 1 . . . . . . . . 6867 1 165 . 1 1 29 29 VAL H H 1 8.003 0.01 . 1 . . . . . . . . 6867 1 166 . 1 1 29 29 VAL N N 15 121.688 0.01 . 1 . . . . . . . . 6867 1 167 . 1 1 29 29 VAL CA C 13 62.031 0.01 . 1 . . . . . . . . 6867 1 168 . 1 1 29 29 VAL HA H 1 4.123 0.01 . 1 . . . . . . . . 6867 1 169 . 1 1 29 29 VAL C C 13 176.087 0.01 . 1 . . . . . . . . 6867 1 170 . 1 1 29 29 VAL CB C 13 31.831 0.01 . 1 . . . . . . . . 6867 1 171 . 1 1 30 30 GLN H H 1 8.332 0.01 . 1 . . . . . . . . 6867 1 172 . 1 1 30 30 GLN N N 15 123.233 0.01 . 1 . . . . . . . . 6867 1 173 . 1 1 30 30 GLN CA C 13 55.351 0.01 . 1 . . . . . . . . 6867 1 174 . 1 1 30 30 GLN HA H 1 4.311 0.01 . 1 . . . . . . . . 6867 1 175 . 1 1 30 30 GLN C C 13 175.681 0.01 . 1 . . . . . . . . 6867 1 176 . 1 1 30 30 GLN CB C 13 28.649 0.01 . 1 . . . . . . . . 6867 1 177 . 1 1 31 31 ALA H H 1 8.242 0.01 . 1 . . . . . . . . 6867 1 178 . 1 1 31 31 ALA N N 15 125.146 0.01 . 1 . . . . . . . . 6867 1 179 . 1 1 31 31 ALA CA C 13 52.132 0.01 . 1 . . . . . . . . 6867 1 180 . 1 1 31 31 ALA HA H 1 4.262 0.01 . 1 . . . . . . . . 6867 1 181 . 1 1 31 31 ALA C C 13 177.245 0.01 . 1 . . . . . . . . 6867 1 182 . 1 1 31 31 ALA CB C 13 18.607 0.01 . 1 . . . . . . . . 6867 1 183 . 1 1 32 32 ASP H H 1 8.242 0.01 . 1 . . . . . . . . 6867 1 184 . 1 1 32 32 ASP N N 15 119.349 0.01 . 1 . . . . . . . . 6867 1 185 . 1 1 32 32 ASP CA C 13 53.780 0.01 . 1 . . . . . . . . 6867 1 186 . 1 1 32 32 ASP HA H 1 4.564 0.01 . 1 . . . . . . . . 6867 1 187 . 1 1 32 32 ASP C C 13 175.823 0.01 . 1 . . . . . . . . 6867 1 188 . 1 1 32 32 ASP CB C 13 40.526 0.01 . 1 . . . . . . . . 6867 1 189 . 1 1 33 33 TYR H H 1 8.038 0.01 . 1 . . . . . . . . 6867 1 190 . 1 1 33 33 TYR N N 15 120.690 0.01 . 1 . . . . . . . . 6867 1 191 . 1 1 33 33 TYR CA C 13 57.737 0.01 . 1 . . . . . . . . 6867 1 192 . 1 1 33 33 TYR HA H 1 4.504 0.01 . 1 . . . . . . . . 6867 1 193 . 1 1 33 33 TYR C C 13 175.530 0.01 . 1 . . . . . . . . 6867 1 194 . 1 1 33 33 TYR CB C 13 38.178 0.01 . 1 . . . . . . . . 6867 1 195 . 1 1 34 34 LYS H H 1 8.027 0.01 . 1 . . . . . . . . 6867 1 196 . 1 1 34 34 LYS N N 15 123.475 0.01 . 1 . . . . . . . . 6867 1 197 . 1 1 34 34 LYS CA C 13 55.394 0.01 . 1 . . . . . . . . 6867 1 198 . 1 1 34 34 LYS HA H 1 4.281 0.01 . 1 . . . . . . . . 6867 1 199 . 1 1 34 34 LYS C C 13 175.733 0.01 . 1 . . . . . . . . 6867 1 200 . 1 1 34 34 LYS CB C 13 32.560 0.01 . 1 . . . . . . . . 6867 1 201 . 1 1 35 35 ASP H H 1 8.281 0.01 . 1 . . . . . . . . 6867 1 202 . 1 1 35 35 ASP N N 15 121.909 0.01 . 1 . . . . . . . . 6867 1 203 . 1 1 35 35 ASP CA C 13 53.904 0.01 . 1 . . . . . . . . 6867 1 204 . 1 1 35 35 ASP HA H 1 4.560 0.01 . 1 . . . . . . . . 6867 1 205 . 1 1 35 35 ASP C C 13 176.055 0.01 . 1 . . . . . . . . 6867 1 206 . 1 1 35 35 ASP CB C 13 40.791 0.01 . 1 . . . . . . . . 6867 1 207 . 1 1 36 36 ASP H H 1 8.306 0.01 . 1 . . . . . . . . 6867 1 208 . 1 1 36 36 ASP N N 15 120.771 0.01 . 1 . . . . . . . . 6867 1 209 . 1 1 36 36 ASP CA C 13 54.119 0.01 . 1 . . . . . . . . 6867 1 210 . 1 1 36 36 ASP HA H 1 4.581 0.01 . 1 . . . . . . . . 6867 1 211 . 1 1 36 36 ASP C C 13 176.181 0.01 . 1 . . . . . . . . 6867 1 212 . 1 1 36 36 ASP CB C 13 40.637 0.01 . 1 . . . . . . . . 6867 1 213 . 1 1 37 37 ASP H H 1 8.325 0.01 . 1 . . . . . . . . 6867 1 214 . 1 1 37 37 ASP N N 15 120.319 0.01 . 1 . . . . . . . . 6867 1 215 . 1 1 37 37 ASP CA C 13 54.296 0.01 . 1 . . . . . . . . 6867 1 216 . 1 1 37 37 ASP HA H 1 4.591 0.01 . 1 . . . . . . . . 6867 1 217 . 1 1 37 37 ASP C C 13 176.065 0.01 . 1 . . . . . . . . 6867 1 218 . 1 1 37 37 ASP CB C 13 40.637 0.01 . 1 . . . . . . . . 6867 1 219 . 1 1 38 38 ASP H H 1 8.297 0.01 . 1 . . . . . . . . 6867 1 220 . 1 1 38 38 ASP N N 15 120.557 0.01 . 1 . . . . . . . . 6867 1 221 . 1 1 38 38 ASP CA C 13 53.947 0.01 . 1 . . . . . . . . 6867 1 222 . 1 1 38 38 ASP HA H 1 4.628 0.01 . 1 . . . . . . . . 6867 1 223 . 1 1 38 38 ASP C C 13 175.234 0.01 . 1 . . . . . . . . 6867 1 224 . 1 1 38 38 ASP CB C 13 40.309 0.01 . 1 . . . . . . . . 6867 1 225 . 1 1 39 39 LYS H H 1 7.713 0.01 . 1 . . . . . . . . 6867 1 226 . 1 1 39 39 LYS N N 15 126.019 0.01 . 1 . . . . . . . . 6867 1 227 . 1 1 39 39 LYS CA C 13 57.197 0.01 . 1 . . . . . . . . 6867 1 228 . 1 1 39 39 LYS HA H 1 4.142 0.01 . 1 . . . . . . . . 6867 1 229 . 1 1 39 39 LYS CB C 13 32.752 0.01 . 1 . . . . . . . . 6867 1 stop_ save_