################################### # 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_backbone_chemical_shifts_of_oleate-bound_jug_r_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode backbone_chemical_shifts_of_oleate-bound_jug_r_3 _Assigned_chem_shift_list.Entry_ID 27638 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 'backbone chemical shifts of oleate - bound jug r 3' _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 1H-15N HSQC' . . . 27638 1 3 '3D CBCA(CO)NH' . . . 27638 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.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 2 2 ALA H H 1 8.670 0.020 . 1 . . . . . 2 ALA H . 27638 1 2 . 1 1 2 2 ALA CA C 13 49.817 0.3 . 1 . . . . . 2 ALA CA . 27638 1 3 . 1 1 2 2 ALA CB C 13 16.169 0.3 . 1 . . . . . 2 ALA CB . 27638 1 4 . 1 1 2 2 ALA N N 15 125.329 0.3 . 1 . . . . . 2 ALA N . 27638 1 5 . 1 1 3 3 GLU H H 1 8.372 0.020 . 1 . . . . . 3 GLU H . 27638 1 6 . 1 1 3 3 GLU CA C 13 54.199 0.3 . 1 . . . . . 3 GLU CA . 27638 1 7 . 1 1 3 3 GLU CB C 13 27.272 0.3 . 1 . . . . . 3 GLU CB . 27638 1 8 . 1 1 3 3 GLU N N 15 120.110 0.3 . 1 . . . . . 3 GLU N . 27638 1 9 . 1 1 4 4 PHE H H 1 8.128 0.020 . 1 . . . . . 4 PHE H . 27638 1 10 . 1 1 4 4 PHE CA C 13 54.919 0.3 . 1 . . . . . 4 PHE CA . 27638 1 11 . 1 1 4 4 PHE CB C 13 36.581 0.3 . 1 . . . . . 4 PHE CB . 27638 1 12 . 1 1 4 4 PHE N N 15 120.615 0.3 . 1 . . . . . 4 PHE N . 27638 1 13 . 1 1 5 5 VAL H H 1 7.880 0.020 . 1 . . . . . 5 VAL H . 27638 1 14 . 1 1 5 5 VAL CA C 13 59.204 0.3 . 1 . . . . . 5 VAL CA . 27638 1 15 . 1 1 5 5 VAL N N 15 121.413 0.3 . 1 . . . . . 5 VAL N . 27638 1 16 . 1 1 6 6 ILE H H 1 8.025 0.020 . 1 . . . . . 6 ILE H . 27638 1 17 . 1 1 6 6 ILE CA C 13 58.940 0.3 . 1 . . . . . 6 ILE CA . 27638 1 18 . 1 1 6 6 ILE CB C 13 34.920 0.3 . 1 . . . . . 6 ILE CB . 27638 1 19 . 1 1 6 6 ILE N N 15 124.039 0.3 . 1 . . . . . 6 ILE N . 27638 1 20 . 1 1 7 7 THR H H 1 7.692 0.020 . 1 . . . . . 7 THR H . 27638 1 21 . 1 1 7 7 THR CA C 13 57.670 0.3 . 1 . . . . . 7 THR CA . 27638 1 22 . 1 1 7 7 THR N N 15 114.918 0.3 . 1 . . . . . 7 THR N . 27638 1 23 . 1 1 12 12 ALA H H 1 8.373 0.020 . 1 . . . . . 12 ALA H . 27638 1 24 . 1 1 12 12 ALA CA C 13 52.430 0.3 . 1 . . . . . 12 ALA CA . 27638 1 25 . 1 1 12 12 ALA CB C 13 15.247 0.3 . 1 . . . . . 12 ALA CB . 27638 1 26 . 1 1 12 12 ALA N N 15 121.134 0.3 . 1 . . . . . 12 ALA N . 27638 1 27 . 1 1 13 13 SER H H 1 7.942 0.020 . 1 . . . . . 13 SER H . 27638 1 28 . 1 1 13 13 SER CA C 13 58.345 0.3 . 1 . . . . . 13 SER CA . 27638 1 29 . 1 1 13 13 SER CB C 13 60.031 0.3 . 1 . . . . . 13 SER CB . 27638 1 30 . 1 1 13 13 SER N N 15 111.917 0.3 . 1 . . . . . 13 SER N . 27638 1 31 . 1 1 14 14 SER H H 1 7.882 0.020 . 1 . . . . . 14 SER H . 27638 1 32 . 1 1 14 14 SER CA C 13 59.659 0.3 . 1 . . . . . 14 SER CA . 27638 1 33 . 1 1 14 14 SER CB C 13 60.249 0.3 . 1 . . . . . 14 SER CB . 27638 1 34 . 1 1 14 14 SER N N 15 117.104 0.3 . 1 . . . . . 14 SER N . 27638 1 35 . 1 1 17 17 SER H H 1 8.535 0.020 . 1 . . . . . 17 SER H . 27638 1 36 . 1 1 17 17 SER CA C 13 57.165 0.3 . 1 . . . . . 17 SER CA . 27638 1 37 . 1 1 17 17 SER N N 15 114.310 0.3 . 1 . . . . . 17 SER N . 27638 1 38 . 1 1 18 18 CYS H H 1 8.403 0.020 . 1 . . . . . 18 CYS H . 27638 1 39 . 1 1 18 18 CYS CA C 13 51.654 0.3 . 1 . . . . . 18 CYS CA . 27638 1 40 . 1 1 18 18 CYS CB C 13 39.941 0.3 . 1 . . . . . 18 CYS CB . 27638 1 41 . 1 1 18 18 CYS N N 15 117.699 0.3 . 1 . . . . . 18 CYS N . 27638 1 42 . 1 1 19 19 ILE H H 1 7.300 0.020 . 1 . . . . . 19 ILE H . 27638 1 43 . 1 1 19 19 ILE CA C 13 63.122 0.3 . 1 . . . . . 19 ILE CA . 27638 1 44 . 1 1 19 19 ILE CB C 13 33.543 0.3 . 1 . . . . . 19 ILE CB . 27638 1 45 . 1 1 19 19 ILE N N 15 118.677 0.3 . 1 . . . . . 19 ILE N . 27638 1 46 . 1 1 20 20 GLY H H 1 8.406 0.020 . 1 . . . . . 20 GLY H . 27638 1 47 . 1 1 20 20 GLY CA C 13 44.848 0.3 . 1 . . . . . 20 GLY CA . 27638 1 48 . 1 1 20 20 GLY N N 15 108.239 0.3 . 1 . . . . . 20 GLY N . 27638 1 49 . 1 1 21 21 TYR H H 1 8.767 0.020 . 1 . . . . . 21 TYR H . 27638 1 50 . 1 1 21 21 TYR CA C 13 58.580 0.3 . 1 . . . . . 21 TYR CA . 27638 1 51 . 1 1 21 21 TYR CB C 13 35.007 0.3 . 1 . . . . . 21 TYR CB . 27638 1 52 . 1 1 21 21 TYR N N 15 124.267 0.3 . 1 . . . . . 21 TYR N . 27638 1 53 . 1 1 22 22 LEU H H 1 8.019 0.020 . 1 . . . . . 22 LEU H . 27638 1 54 . 1 1 22 22 LEU CA C 13 54.435 0.3 . 1 . . . . . 22 LEU CA . 27638 1 55 . 1 1 22 22 LEU CB C 13 39.250 0.3 . 1 . . . . . 22 LEU CB . 27638 1 56 . 1 1 22 22 LEU N N 15 118.266 0.3 . 1 . . . . . 22 LEU N . 27638 1 57 . 1 1 23 23 ARG H H 1 7.884 0.020 . 1 . . . . . 23 ARG H . 27638 1 58 . 1 1 23 23 ARG CA C 13 53.414 0.3 . 1 . . . . . 23 ARG CA . 27638 1 59 . 1 1 23 23 ARG CB C 13 28.623 0.3 . 1 . . . . . 23 ARG CB . 27638 1 60 . 1 1 23 23 ARG N N 15 115.564 0.3 . 1 . . . . . 23 ARG N . 27638 1 61 . 1 1 24 24 GLY H H 1 7.846 0.020 . 1 . . . . . 24 GLY H . 27638 1 62 . 1 1 24 24 GLY CA C 13 42.557 0.3 . 1 . . . . . 24 GLY CA . 27638 1 63 . 1 1 24 24 GLY N N 15 107.795 0.3 . 1 . . . . . 24 GLY N . 27638 1 64 . 1 1 25 25 THR H H 1 8.161 0.020 . 1 . . . . . 25 THR H . 27638 1 65 . 1 1 25 25 THR CA C 13 60.615 0.3 . 1 . . . . . 25 THR CA . 27638 1 66 . 1 1 25 25 THR CB C 13 66.173 0.3 . 1 . . . . . 25 THR CB . 27638 1 67 . 1 1 25 25 THR N N 15 111.926 0.3 . 1 . . . . . 25 THR N . 27638 1 68 . 1 1 26 26 VAL H H 1 6.787 0.020 . 1 . . . . . 26 VAL H . 27638 1 69 . 1 1 26 26 VAL CA C 13 55.345 0.3 . 1 . . . . . 26 VAL CA . 27638 1 70 . 1 1 26 26 VAL CB C 13 31.449 0.3 . 1 . . . . . 26 VAL CB . 27638 1 71 . 1 1 26 26 VAL N N 15 115.779 0.3 . 1 . . . . . 26 VAL N . 27638 1 72 . 1 1 28 28 THR H H 1 7.031 0.020 . 1 . . . . . 28 THR H . 27638 1 73 . 1 1 28 28 THR CA C 13 56.398 0.3 . 1 . . . . . 28 THR CA . 27638 1 74 . 1 1 28 28 THR CB C 13 68.126 0.3 . 1 . . . . . 28 THR CB . 27638 1 75 . 1 1 28 28 THR N N 15 109.815 0.3 . 1 . . . . . 28 THR N . 27638 1 76 . 1 1 29 29 VAL H H 1 8.269 0.020 . 1 . . . . . 29 VAL H . 27638 1 77 . 1 1 29 29 VAL CA C 13 57.045 0.3 . 1 . . . . . 29 VAL CA . 27638 1 78 . 1 1 29 29 VAL CB C 13 29.085 0.3 . 1 . . . . . 29 VAL CB . 27638 1 79 . 1 1 29 29 VAL N N 15 124.287 0.3 . 1 . . . . . 29 VAL N . 27638 1 80 . 1 1 32 32 SER H H 1 8.455 0.020 . 1 . . . . . 32 SER H . 27638 1 81 . 1 1 32 32 SER CA C 13 58.177 0.3 . 1 . . . . . 32 SER CA . 27638 1 82 . 1 1 32 32 SER CB C 13 59.026 0.3 . 1 . . . . . 32 SER CB . 27638 1 83 . 1 1 32 32 SER N N 15 110.756 0.3 . 1 . . . . . 32 SER N . 27638 1 84 . 1 1 33 33 CYS H H 1 7.538 0.020 . 1 . . . . . 33 CYS H . 27638 1 85 . 1 1 33 33 CYS CA C 13 55.862 0.3 . 1 . . . . . 33 CYS CA . 27638 1 86 . 1 1 33 33 CYS CB C 13 35.904 0.3 . 1 . . . . . 33 CYS CB . 27638 1 87 . 1 1 33 33 CYS N N 15 122.082 0.3 . 1 . . . . . 33 CYS N . 27638 1 88 . 1 1 34 34 CYS H H 1 6.897 0.020 . 1 . . . . . 34 CYS H . 27638 1 89 . 1 1 34 34 CYS CA C 13 51.862 0.3 . 1 . . . . . 34 CYS CA . 27638 1 90 . 1 1 34 34 CYS N N 15 115.380 0.3 . 1 . . . . . 34 CYS N . 27638 1 91 . 1 1 35 35 ASN H H 1 8.806 0.020 . 1 . . . . . 35 ASN H . 27638 1 92 . 1 1 35 35 ASN CA C 13 53.527 0.3 . 1 . . . . . 35 ASN CA . 27638 1 93 . 1 1 35 35 ASN CB C 13 34.704 0.3 . 1 . . . . . 35 ASN CB . 27638 1 94 . 1 1 35 35 ASN N N 15 119.271 0.3 . 1 . . . . . 35 ASN N . 27638 1 95 . 1 1 36 36 GLY H H 1 7.879 0.020 . 1 . . . . . 36 GLY H . 27638 1 96 . 1 1 36 36 GLY CA C 13 44.660 0.3 . 1 . . . . . 36 GLY CA . 27638 1 97 . 1 1 36 36 GLY N N 15 111.139 0.3 . 1 . . . . . 36 GLY N . 27638 1 98 . 1 1 37 37 VAL H H 1 8.393 0.020 . 1 . . . . . 37 VAL H . 27638 1 99 . 1 1 37 37 VAL CA C 13 64.243 0.3 . 1 . . . . . 37 VAL CA . 27638 1 100 . 1 1 37 37 VAL CB C 13 28.715 0.3 . 1 . . . . . 37 VAL CB . 27638 1 101 . 1 1 37 37 VAL N N 15 122.257 0.3 . 1 . . . . . 37 VAL N . 27638 1 102 . 1 1 38 38 LYS H H 1 8.346 0.020 . 1 . . . . . 38 LYS H . 27638 1 103 . 1 1 38 38 LYS CA C 13 57.637 0.3 . 1 . . . . . 38 LYS CA . 27638 1 104 . 1 1 38 38 LYS CB C 13 29.612 0.3 . 1 . . . . . 38 LYS CB . 27638 1 105 . 1 1 38 38 LYS N N 15 118.486 0.3 . 1 . . . . . 38 LYS N . 27638 1 106 . 1 1 39 39 SER H H 1 8.199 0.020 . 1 . . . . . 39 SER H . 27638 1 107 . 1 1 39 39 SER CA C 13 59.041 0.3 . 1 . . . . . 39 SER CA . 27638 1 108 . 1 1 39 39 SER CB C 13 59.866 0.3 . 1 . . . . . 39 SER CB . 27638 1 109 . 1 1 39 39 SER N N 15 115.664 0.3 . 1 . . . . . 39 SER N . 27638 1 110 . 1 1 40 40 LEU H H 1 8.334 0.020 . 1 . . . . . 40 LEU H . 27638 1 111 . 1 1 40 40 LEU CA C 13 54.566 0.3 . 1 . . . . . 40 LEU CA . 27638 1 112 . 1 1 40 40 LEU N N 15 124.082 0.3 . 1 . . . . . 40 LEU N . 27638 1 113 . 1 1 41 41 ASN H H 1 8.050 0.020 . 1 . . . . . 41 ASN H . 27638 1 114 . 1 1 41 41 ASN CA C 13 52.388 0.3 . 1 . . . . . 41 ASN CA . 27638 1 115 . 1 1 41 41 ASN CB C 13 36.732 0.3 . 1 . . . . . 41 ASN CB . 27638 1 116 . 1 1 41 41 ASN N N 15 115.300 0.3 . 1 . . . . . 41 ASN N . 27638 1 117 . 1 1 42 42 LYS H H 1 7.583 0.020 . 1 . . . . . 42 LYS H . 27638 1 118 . 1 1 42 42 LYS CA C 13 55.041 0.3 . 1 . . . . . 42 LYS CA . 27638 1 119 . 1 1 42 42 LYS CB C 13 29.846 0.3 . 1 . . . . . 42 LYS CB . 27638 1 120 . 1 1 42 42 LYS N N 15 116.381 0.3 . 1 . . . . . 42 LYS N . 27638 1 121 . 1 1 43 43 ALA H H 1 7.773 0.020 . 1 . . . . . 43 ALA H . 27638 1 122 . 1 1 43 43 ALA CA C 13 50.727 0.3 . 1 . . . . . 43 ALA CA . 27638 1 123 . 1 1 43 43 ALA CB C 13 15.787 0.3 . 1 . . . . . 43 ALA CB . 27638 1 124 . 1 1 43 43 ALA N N 15 119.651 0.3 . 1 . . . . . 43 ALA N . 27638 1 125 . 1 1 44 44 ALA H H 1 7.657 0.020 . 1 . . . . . 44 ALA H . 27638 1 126 . 1 1 44 44 ALA CA C 13 48.426 0.3 . 1 . . . . . 44 ALA CA . 27638 1 127 . 1 1 44 44 ALA CB C 13 14.231 0.3 . 1 . . . . . 44 ALA CB . 27638 1 128 . 1 1 44 44 ALA N N 15 121.192 0.3 . 1 . . . . . 44 ALA N . 27638 1 129 . 1 1 45 45 ALA H H 1 7.992 0.020 . 1 . . . . . 45 ALA H . 27638 1 130 . 1 1 45 45 ALA CA C 13 50.660 0.3 . 1 . . . . . 45 ALA CA . 27638 1 131 . 1 1 45 45 ALA CB C 13 17.642 0.3 . 1 . . . . . 45 ALA CB . 27638 1 132 . 1 1 45 45 ALA N N 15 125.804 0.3 . 1 . . . . . 45 ALA N . 27638 1 133 . 1 1 46 46 THR H H 1 7.984 0.020 . 1 . . . . . 46 THR H . 27638 1 134 . 1 1 46 46 THR CA C 13 56.792 0.3 . 1 . . . . . 46 THR CA . 27638 1 135 . 1 1 46 46 THR CB C 13 70.034 0.3 . 1 . . . . . 46 THR CB . 27638 1 136 . 1 1 46 46 THR N N 15 108.183 0.3 . 1 . . . . . 46 THR N . 27638 1 137 . 1 1 47 47 THR H H 1 8.851 0.020 . 1 . . . . . 47 THR H . 27638 1 138 . 1 1 47 47 THR CA C 13 65.126 0.3 . 1 . . . . . 47 THR CA . 27638 1 139 . 1 1 47 47 THR CB C 13 66.232 0.3 . 1 . . . . . 47 THR CB . 27638 1 140 . 1 1 47 47 THR N N 15 119.934 0.3 . 1 . . . . . 47 THR N . 27638 1 141 . 1 1 48 48 ALA H H 1 8.486 0.020 . 1 . . . . . 48 ALA H . 27638 1 142 . 1 1 48 48 ALA CA C 13 52.636 0.3 . 1 . . . . . 48 ALA CA . 27638 1 143 . 1 1 48 48 ALA CB C 13 15.253 0.3 . 1 . . . . . 48 ALA CB . 27638 1 144 . 1 1 48 48 ALA N N 15 121.693 0.3 . 1 . . . . . 48 ALA N . 27638 1 145 . 1 1 49 49 ASP H H 1 7.844 0.020 . 1 . . . . . 49 ASP H . 27638 1 146 . 1 1 49 49 ASP CA C 13 54.766 0.3 . 1 . . . . . 49 ASP CA . 27638 1 147 . 1 1 49 49 ASP CB C 13 39.132 0.3 . 1 . . . . . 49 ASP CB . 27638 1 148 . 1 1 49 49 ASP N N 15 117.411 0.3 . 1 . . . . . 49 ASP N . 27638 1 149 . 1 1 50 50 ARG H H 1 8.261 0.020 . 1 . . . . . 50 ARG H . 27638 1 150 . 1 1 50 50 ARG CA C 13 57.880 0.3 . 1 . . . . . 50 ARG CA . 27638 1 151 . 1 1 50 50 ARG CB C 13 28.898 0.3 . 1 . . . . . 50 ARG CB . 27638 1 152 . 1 1 50 50 ARG N N 15 120.183 0.3 . 1 . . . . . 50 ARG N . 27638 1 153 . 1 1 51 51 GLN H H 1 8.603 0.020 . 1 . . . . . 51 GLN H . 27638 1 154 . 1 1 51 51 GLN CA C 13 57.458 0.3 . 1 . . . . . 51 GLN CA . 27638 1 155 . 1 1 51 51 GLN CB C 13 24.126 0.3 . 1 . . . . . 51 GLN CB . 27638 1 156 . 1 1 51 51 GLN N N 15 119.162 0.3 . 1 . . . . . 51 GLN N . 27638 1 157 . 1 1 52 52 ALA H H 1 7.888 0.020 . 1 . . . . . 52 ALA H . 27638 1 158 . 1 1 52 52 ALA CA C 13 52.248 0.3 . 1 . . . . . 52 ALA CA . 27638 1 159 . 1 1 52 52 ALA CB C 13 15.379 0.3 . 1 . . . . . 52 ALA CB . 27638 1 160 . 1 1 52 52 ALA N N 15 121.192 0.3 . 1 . . . . . 52 ALA N . 27638 1 161 . 1 1 53 53 ALA H H 1 8.638 0.020 . 1 . . . . . 53 ALA H . 27638 1 162 . 1 1 53 53 ALA CA C 13 53.040 0.3 . 1 . . . . . 53 ALA CA . 27638 1 163 . 1 1 53 53 ALA N N 15 120.296 0.3 . 1 . . . . . 53 ALA N . 27638 1 164 . 1 1 54 54 CYS H H 1 8.045 0.020 . 1 . . . . . 54 CYS H . 27638 1 165 . 1 1 54 54 CYS CA C 13 57.621 0.3 . 1 . . . . . 54 CYS CA . 27638 1 166 . 1 1 54 54 CYS N N 15 117.482 0.3 . 1 . . . . . 54 CYS N . 27638 1 167 . 1 1 57 57 LEU H H 1 8.769 0.020 . 1 . . . . . 57 LEU H . 27638 1 168 . 1 1 57 57 LEU CA C 13 55.412 0.3 . 1 . . . . . 57 LEU CA . 27638 1 169 . 1 1 57 57 LEU CB C 13 38.360 0.3 . 1 . . . . . 57 LEU CB . 27638 1 170 . 1 1 57 57 LEU N N 15 123.186 0.3 . 1 . . . . . 57 LEU N . 27638 1 171 . 1 1 59 59 LYS H H 1 7.754 0.020 . 1 . . . . . 59 LYS H . 27638 1 172 . 1 1 59 59 LYS CA C 13 56.263 0.3 . 1 . . . . . 59 LYS CA . 27638 1 173 . 1 1 59 59 LYS CB C 13 29.220 0.3 . 1 . . . . . 59 LYS CB . 27638 1 174 . 1 1 59 59 LYS N N 15 118.911 0.3 . 1 . . . . . 59 LYS N . 27638 1 175 . 1 1 61 61 SER H H 1 8.119 0.020 . 1 . . . . . 61 SER H . 27638 1 176 . 1 1 61 61 SER CA C 13 59.964 0.3 . 1 . . . . . 61 SER CA . 27638 1 177 . 1 1 61 61 SER CB C 13 60.405 0.3 . 1 . . . . . 61 SER CB . 27638 1 178 . 1 1 61 61 SER N N 15 115.995 0.3 . 1 . . . . . 61 SER N . 27638 1 179 . 1 1 62 62 GLY H H 1 7.560 0.020 . 1 . . . . . 62 GLY H . 27638 1 180 . 1 1 62 62 GLY CA C 13 42.853 0.3 . 1 . . . . . 62 GLY CA . 27638 1 181 . 1 1 62 62 GLY N N 15 105.702 0.3 . 1 . . . . . 62 GLY N . 27638 1 182 . 1 1 63 63 SER H H 1 7.627 0.020 . 1 . . . . . 63 SER H . 27638 1 183 . 1 1 63 63 SER CA C 13 56.178 0.3 . 1 . . . . . 63 SER CA . 27638 1 184 . 1 1 63 63 SER CB C 13 61.665 0.3 . 1 . . . . . 63 SER CB . 27638 1 185 . 1 1 63 63 SER N N 15 113.517 0.3 . 1 . . . . . 63 SER N . 27638 1 186 . 1 1 64 64 ILE H H 1 7.247 0.020 . 1 . . . . . 64 ILE H . 27638 1 187 . 1 1 64 64 ILE CA C 13 55.597 0.3 . 1 . . . . . 64 ILE CA . 27638 1 188 . 1 1 64 64 ILE CB C 13 35.962 0.3 . 1 . . . . . 64 ILE CB . 27638 1 189 . 1 1 64 64 ILE N N 15 122.910 0.3 . 1 . . . . . 64 ILE N . 27638 1 190 . 1 1 66 66 GLY H H 1 8.703 0.020 . 1 . . . . . 66 GLY H . 27638 1 191 . 1 1 66 66 GLY CA C 13 42.971 0.3 . 1 . . . . . 66 GLY CA . 27638 1 192 . 1 1 66 66 GLY N N 15 109.219 0.3 . 1 . . . . . 66 GLY N . 27638 1 193 . 1 1 67 67 LEU H H 1 7.507 0.020 . 1 . . . . . 67 LEU H . 27638 1 194 . 1 1 67 67 LEU CA C 13 53.415 0.3 . 1 . . . . . 67 LEU CA . 27638 1 195 . 1 1 67 67 LEU CB C 13 39.091 0.3 . 1 . . . . . 67 LEU CB . 27638 1 196 . 1 1 67 67 LEU N N 15 119.386 0.3 . 1 . . . . . 67 LEU N . 27638 1 197 . 1 1 70 70 GLY H H 1 8.236 0.020 . 1 . . . . . 70 GLY H . 27638 1 198 . 1 1 70 70 GLY CA C 13 44.115 0.3 . 1 . . . . . 70 GLY CA . 27638 1 199 . 1 1 70 70 GLY N N 15 108.875 0.3 . 1 . . . . . 70 GLY N . 27638 1 200 . 1 1 71 71 LEU H H 1 7.684 0.020 . 1 . . . . . 71 LEU H . 27638 1 201 . 1 1 71 71 LEU CA C 13 53.819 0.3 . 1 . . . . . 71 LEU CA . 27638 1 202 . 1 1 71 71 LEU CB C 13 38.128 0.3 . 1 . . . . . 71 LEU CB . 27638 1 203 . 1 1 71 71 LEU N N 15 121.783 0.3 . 1 . . . . . 71 LEU N . 27638 1 204 . 1 1 72 72 ALA H H 1 7.941 0.020 . 1 . . . . . 72 ALA H . 27638 1 205 . 1 1 72 72 ALA CA C 13 52.623 0.3 . 1 . . . . . 72 ALA CA . 27638 1 206 . 1 1 72 72 ALA CB C 13 14.841 0.3 . 1 . . . . . 72 ALA CB . 27638 1 207 . 1 1 72 72 ALA N N 15 121.574 0.3 . 1 . . . . . 72 ALA N . 27638 1 208 . 1 1 73 73 ALA H H 1 7.835 0.020 . 1 . . . . . 73 ALA H . 27638 1 209 . 1 1 73 73 ALA CA C 13 51.676 0.3 . 1 . . . . . 73 ALA CA . 27638 1 210 . 1 1 73 73 ALA CB C 13 15.080 0.3 . 1 . . . . . 73 ALA CB . 27638 1 211 . 1 1 73 73 ALA N N 15 117.139 0.3 . 1 . . . . . 73 ALA N . 27638 1 212 . 1 1 74 74 GLY H H 1 7.456 0.020 . 1 . . . . . 74 GLY H . 27638 1 213 . 1 1 74 74 GLY CA C 13 42.205 0.3 . 1 . . . . . 74 GLY CA . 27638 1 214 . 1 1 74 74 GLY N N 15 101.096 0.3 . 1 . . . . . 74 GLY N . 27638 1 215 . 1 1 75 75 LEU H H 1 7.331 0.020 . 1 . . . . . 75 LEU H . 27638 1 216 . 1 1 75 75 LEU CA C 13 57.047 0.3 . 1 . . . . . 75 LEU CA . 27638 1 217 . 1 1 75 75 LEU CB C 13 36.989 0.3 . 1 . . . . . 75 LEU CB . 27638 1 218 . 1 1 75 75 LEU N N 15 122.027 0.3 . 1 . . . . . 75 LEU N . 27638 1 219 . 1 1 77 77 GLY H H 1 8.311 0.020 . 1 . . . . . 77 GLY H . 27638 1 220 . 1 1 77 77 GLY CA C 13 44.299 0.3 . 1 . . . . . 77 GLY CA . 27638 1 221 . 1 1 77 77 GLY N N 15 105.137 0.3 . 1 . . . . . 77 GLY N . 27638 1 222 . 1 1 78 78 LYS H H 1 7.984 0.020 . 1 . . . . . 78 LYS H . 27638 1 223 . 1 1 78 78 LYS CA C 13 54.864 0.3 . 1 . . . . . 78 LYS CA . 27638 1 224 . 1 1 78 78 LYS CB C 13 28.974 0.3 . 1 . . . . . 78 LYS CB . 27638 1 225 . 1 1 78 78 LYS N N 15 122.236 0.3 . 1 . . . . . 78 LYS N . 27638 1 226 . 1 1 79 79 CYS H H 1 7.700 0.020 . 1 . . . . . 79 CYS H . 27638 1 227 . 1 1 79 79 CYS CA C 13 50.442 0.3 . 1 . . . . . 79 CYS CA . 27638 1 228 . 1 1 79 79 CYS CB C 13 33.464 0.3 . 1 . . . . . 79 CYS CB . 27638 1 229 . 1 1 79 79 CYS N N 15 114.415 0.3 . 1 . . . . . 79 CYS N . 27638 1 230 . 1 1 80 80 GLY H H 1 7.828 0.020 . 1 . . . . . 80 GLY H . 27638 1 231 . 1 1 80 80 GLY CA C 13 43.817 0.3 . 1 . . . . . 80 GLY CA . 27638 1 232 . 1 1 80 80 GLY N N 15 109.031 0.3 . 1 . . . . . 80 GLY N . 27638 1 233 . 1 1 81 81 VAL H H 1 8.089 0.020 . 1 . . . . . 81 VAL H . 27638 1 234 . 1 1 81 81 VAL CA C 13 57.165 0.3 . 1 . . . . . 81 VAL CA . 27638 1 235 . 1 1 81 81 VAL CB C 13 31.771 0.3 . 1 . . . . . 81 VAL CB . 27638 1 236 . 1 1 81 81 VAL N N 15 119.522 0.3 . 1 . . . . . 81 VAL N . 27638 1 237 . 1 1 82 82 SER H H 1 8.410 0.020 . 1 . . . . . 82 SER H . 27638 1 238 . 1 1 82 82 SER CA C 13 54.013 0.3 . 1 . . . . . 82 SER CA . 27638 1 239 . 1 1 82 82 SER CB C 13 60.086 0.3 . 1 . . . . . 82 SER CB . 27638 1 240 . 1 1 82 82 SER N N 15 121.070 0.3 . 1 . . . . . 82 SER N . 27638 1 241 . 1 1 83 83 VAL H H 1 8.058 0.020 . 1 . . . . . 83 VAL H . 27638 1 242 . 1 1 83 83 VAL CA C 13 55.544 0.3 . 1 . . . . . 83 VAL CA . 27638 1 243 . 1 1 83 83 VAL CB C 13 30.805 0.3 . 1 . . . . . 83 VAL CB . 27638 1 244 . 1 1 83 83 VAL N N 15 123.978 0.3 . 1 . . . . . 83 VAL N . 27638 1 245 . 1 1 90 90 SER H H 1 8.109 0.020 . 1 . . . . . 90 SER H . 27638 1 246 . 1 1 90 90 SER CA C 13 54.807 0.3 . 1 . . . . . 90 SER CA . 27638 1 247 . 1 1 90 90 SER CB C 13 61.014 0.3 . 1 . . . . . 90 SER CB . 27638 1 248 . 1 1 90 90 SER N N 15 113.817 0.3 . 1 . . . . . 90 SER N . 27638 1 249 . 1 1 91 91 THR H H 1 7.428 0.020 . 1 . . . . . 91 THR H . 27638 1 250 . 1 1 91 91 THR CA C 13 61.478 0.3 . 1 . . . . . 91 THR CA . 27638 1 251 . 1 1 91 91 THR CB C 13 67.388 0.3 . 1 . . . . . 91 THR CB . 27638 1 252 . 1 1 91 91 THR N N 15 121.193 0.3 . 1 . . . . . 91 THR N . 27638 1 253 . 1 1 93 93 CYS H H 1 8.942 0.020 . 1 . . . . . 93 CYS H . 27638 1 254 . 1 1 93 93 CYS CA C 13 52.774 0.3 . 1 . . . . . 93 CYS CA . 27638 1 255 . 1 1 93 93 CYS CB C 13 33.659 0.3 . 1 . . . . . 93 CYS CB . 27638 1 256 . 1 1 93 93 CYS N N 15 125.545 0.3 . 1 . . . . . 93 CYS N . 27638 1 257 . 1 1 94 94 LYS H H 1 7.665 0.020 . 1 . . . . . 94 LYS H . 27638 1 258 . 1 1 94 94 LYS CA C 13 54.349 0.3 . 1 . . . . . 94 LYS CA . 27638 1 259 . 1 1 94 94 LYS CB C 13 28.233 0.3 . 1 . . . . . 94 LYS CB . 27638 1 260 . 1 1 94 94 LYS N N 15 115.259 0.3 . 1 . . . . . 94 LYS N . 27638 1 261 . 1 1 95 95 ALA H H 1 7.187 0.020 . 1 . . . . . 95 ALA H . 27638 1 262 . 1 1 95 95 ALA CA C 13 48.651 0.3 . 1 . . . . . 95 ALA CA . 27638 1 263 . 1 1 95 95 ALA CB C 13 16.235 0.3 . 1 . . . . . 95 ALA CB . 27638 1 264 . 1 1 95 95 ALA N N 15 119.499 0.3 . 1 . . . . . 95 ALA N . 27638 1 265 . 1 1 96 96 VAL H H 1 6.822 0.020 . 1 . . . . . 96 VAL H . 27638 1 266 . 1 1 96 96 VAL CA C 13 60.755 0.3 . 1 . . . . . 96 VAL CA . 27638 1 267 . 1 1 96 96 VAL CB C 13 29.849 0.3 . 1 . . . . . 96 VAL CB . 27638 1 268 . 1 1 96 96 VAL N N 15 120.379 0.3 . 1 . . . . . 96 VAL N . 27638 1 269 . 1 1 97 97 LYS H H 1 7.786 0.020 . 1 . . . . . 97 LYS H . 27638 1 270 . 1 1 97 97 LYS CA C 13 54.456 0.3 . 1 . . . . . 97 LYS CA . 27638 1 271 . 1 1 97 97 LYS CB C 13 31.218 0.3 . 1 . . . . . 97 LYS CB . 27638 1 272 . 1 1 97 97 LYS N N 15 130.609 0.3 . 1 . . . . . 97 LYS N . 27638 1 stop_ save_