################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27250 _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 . _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 '2D 1H-15N HSQC' . . . 27250 1 2 '3D HNCACB' . . . 27250 1 3 '3D CBCA(CO)NH' . . . 27250 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 4 4 ARG H H 1 8.675 0.020 . 1 . . . . . 4 ARG H . 27250 1 2 . 1 1 4 4 ARG CA C 13 52.848 0.3 . 1 . . . . . 4 ARG CA . 27250 1 3 . 1 1 4 4 ARG CB C 13 29.414 0.3 . 1 . . . . . 4 ARG CB . 27250 1 4 . 1 1 4 4 ARG N N 15 122.099 0.3 . 1 . . . . . 4 ARG N . 27250 1 5 . 1 1 5 5 ALA H H 1 8.407 0.020 . 1 . . . . . 5 ALA H . 27250 1 6 . 1 1 5 5 ALA CA C 13 49.110 0.3 . 1 . . . . . 5 ALA CA . 27250 1 7 . 1 1 5 5 ALA CB C 13 17.553 0.3 . 1 . . . . . 5 ALA CB . 27250 1 8 . 1 1 5 5 ALA N N 15 124.583 0.3 . 1 . . . . . 5 ALA N . 27250 1 9 . 1 1 6 6 SER H H 1 8.489 0.020 . 1 . . . . . 6 SER H . 27250 1 10 . 1 1 6 6 SER CA C 13 55.364 0.3 . 1 . . . . . 6 SER CA . 27250 1 11 . 1 1 6 6 SER CB C 13 61.618 0.3 . 1 . . . . . 6 SER CB . 27250 1 12 . 1 1 6 6 SER N N 15 115.778 0.3 . 1 . . . . . 6 SER N . 27250 1 13 . 1 1 7 7 VAL H H 1 8.269 0.020 . 1 . . . . . 7 VAL H . 27250 1 14 . 1 1 7 7 VAL CA C 13 59.389 0.3 . 1 . . . . . 7 VAL CA . 27250 1 15 . 1 1 7 7 VAL CB C 13 30.061 0.3 . 1 . . . . . 7 VAL CB . 27250 1 16 . 1 1 7 7 VAL N N 15 120.974 0.3 . 1 . . . . . 7 VAL N . 27250 1 17 . 1 1 8 8 GLY H H 1 8.512 0.020 . 1 . . . . . 8 GLY H . 27250 1 18 . 1 1 8 8 GLY CA C 13 42.497 0.3 . 1 . . . . . 8 GLY CA . 27250 1 19 . 1 1 8 8 GLY N N 15 112.384 0.3 . 1 . . . . . 8 GLY N . 27250 1 20 . 1 1 9 9 SER H H 1 8.145 0.020 . 1 . . . . . 9 SER H . 27250 1 21 . 1 1 9 9 SER CA C 13 55.723 0.3 . 1 . . . . . 9 SER CA . 27250 1 22 . 1 1 9 9 SER CB C 13 61.258 0.3 . 1 . . . . . 9 SER CB . 27250 1 23 . 1 1 9 9 SER N N 15 115.528 0.3 . 1 . . . . . 9 SER N . 27250 1 24 . 1 1 10 10 GLU H H 1 8.614 0.020 . 1 . . . . . 10 GLU H . 27250 1 25 . 1 1 10 10 GLU CA C 13 54.429 0.3 . 1 . . . . . 10 GLU CA . 27250 1 26 . 1 1 10 10 GLU CB C 13 26.826 0.3 . 1 . . . . . 10 GLU CB . 27250 1 27 . 1 1 10 10 GLU N N 15 122.023 0.3 . 1 . . . . . 10 GLU N . 27250 1 28 . 1 1 11 11 PHE H H 1 8.114 0.020 . 1 . . . . . 11 PHE H . 27250 1 29 . 1 1 11 11 PHE CA C 13 54.789 0.3 . 1 . . . . . 11 PHE CA . 27250 1 30 . 1 1 11 11 PHE CB C 13 36.243 0.3 . 1 . . . . . 11 PHE CB . 27250 1 31 . 1 1 11 11 PHE N N 15 119.220 0.3 . 1 . . . . . 11 PHE N . 27250 1 32 . 1 1 12 12 THR H H 1 7.700 0.020 . 1 . . . . . 12 THR H . 27250 1 33 . 1 1 12 12 THR CA C 13 59.102 0.3 . 1 . . . . . 12 THR CA . 27250 1 34 . 1 1 12 12 THR CB C 13 66.937 0.3 . 1 . . . . . 12 THR CB . 27250 1 35 . 1 1 12 12 THR N N 15 113.895 0.3 . 1 . . . . . 12 THR N . 27250 1 36 . 1 1 13 13 GLU H H 1 8.361 0.020 . 1 . . . . . 13 GLU H . 27250 1 37 . 1 1 13 13 GLU CA C 13 54.286 0.3 . 1 . . . . . 13 GLU CA . 27250 1 38 . 1 1 13 13 GLU CB C 13 27.186 0.3 . 1 . . . . . 13 GLU CB . 27250 1 39 . 1 1 13 13 GLU N N 15 121.779 0.3 . 1 . . . . . 13 GLU N . 27250 1 40 . 1 1 14 14 SER H H 1 8.065 0.020 . 1 . . . . . 14 SER H . 27250 1 41 . 1 1 14 14 SER CA C 13 55.292 0.3 . 1 . . . . . 14 SER CA . 27250 1 42 . 1 1 14 14 SER CB C 13 62.768 0.3 . 1 . . . . . 14 SER CB . 27250 1 43 . 1 1 14 14 SER N N 15 116.039 0.3 . 1 . . . . . 14 SER N . 27250 1 44 . 1 1 15 15 ALA H H 1 8.715 0.020 . 1 . . . . . 15 ALA H . 27250 1 45 . 1 1 15 15 ALA CA C 13 47.888 0.3 . 1 . . . . . 15 ALA CA . 27250 1 46 . 1 1 15 15 ALA CB C 13 19.638 0.3 . 1 . . . . . 15 ALA CB . 27250 1 47 . 1 1 15 15 ALA N N 15 125.512 0.3 . 1 . . . . . 15 ALA N . 27250 1 48 . 1 1 16 16 TRP H H 1 8.386 0.020 . 1 . . . . . 16 TRP H . 27250 1 49 . 1 1 16 16 TRP CA C 13 53.207 0.3 . 1 . . . . . 16 TRP CA . 27250 1 50 . 1 1 16 16 TRP CB C 13 29.702 0.3 . 1 . . . . . 16 TRP CB . 27250 1 51 . 1 1 16 16 TRP N N 15 118.404 0.3 . 1 . . . . . 16 TRP N . 27250 1 52 . 1 1 17 17 VAL H H 1 9.231 0.020 . 1 . . . . . 17 VAL H . 27250 1 53 . 1 1 17 17 VAL CA C 13 56.658 0.3 . 1 . . . . . 17 VAL CA . 27250 1 54 . 1 1 17 17 VAL CB C 13 32.361 0.3 . 1 . . . . . 17 VAL CB . 27250 1 55 . 1 1 17 17 VAL N N 15 120.864 0.3 . 1 . . . . . 17 VAL N . 27250 1 56 . 1 1 18 18 ARG H H 1 7.841 0.020 . 1 . . . . . 18 ARG H . 27250 1 57 . 1 1 18 18 ARG CA C 13 51.195 0.3 . 1 . . . . . 18 ARG CA . 27250 1 58 . 1 1 18 18 ARG CB C 13 28.695 0.3 . 1 . . . . . 18 ARG CB . 27250 1 59 . 1 1 18 18 ARG N N 15 126.882 0.3 . 1 . . . . . 18 ARG N . 27250 1 60 . 1 1 19 19 CYS H H 1 8.629 0.020 . 1 . . . . . 19 CYS H . 27250 1 61 . 1 1 19 19 CYS CA C 13 57.089 0.3 . 1 . . . . . 19 CYS CA . 27250 1 62 . 1 1 19 19 CYS CB C 13 29.270 0.3 . 1 . . . . . 19 CYS CB . 27250 1 63 . 1 1 19 19 CYS N N 15 127.838 0.3 . 1 . . . . . 19 CYS N . 27250 1 64 . 1 1 20 20 ASP H H 1 9.441 0.020 . 1 . . . . . 20 ASP H . 27250 1 65 . 1 1 20 20 ASP CA C 13 54.717 0.3 . 1 . . . . . 20 ASP CA . 27250 1 66 . 1 1 20 20 ASP CB C 13 39.478 0.3 . 1 . . . . . 20 ASP CB . 27250 1 67 . 1 1 20 20 ASP N N 15 128.591 0.3 . 1 . . . . . 20 ASP N . 27250 1 68 . 1 1 21 21 ASP H H 1 9.402 0.020 . 1 . . . . . 21 ASP H . 27250 1 69 . 1 1 21 21 ASP CA C 13 53.064 0.3 . 1 . . . . . 21 ASP CA . 27250 1 70 . 1 1 21 21 ASP CB C 13 39.334 0.3 . 1 . . . . . 21 ASP CB . 27250 1 71 . 1 1 21 21 ASP N N 15 121.415 0.3 . 1 . . . . . 21 ASP N . 27250 1 72 . 1 1 22 22 CYS H H 1 9.036 0.020 . 1 . . . . . 22 CYS H . 27250 1 73 . 1 1 22 22 CYS CA C 13 56.227 0.3 . 1 . . . . . 22 CYS CA . 27250 1 74 . 1 1 22 22 CYS CB C 13 29.414 0.3 . 1 . . . . . 22 CYS CB . 27250 1 75 . 1 1 22 22 CYS N N 15 121.689 0.3 . 1 . . . . . 22 CYS N . 27250 1 76 . 1 1 23 23 PHE H H 1 7.585 0.020 . 1 . . . . . 23 PHE H . 27250 1 77 . 1 1 23 23 PHE CA C 13 56.442 0.3 . 1 . . . . . 23 PHE CA . 27250 1 78 . 1 1 23 23 PHE CB C 13 33.440 0.3 . 1 . . . . . 23 PHE CB . 27250 1 79 . 1 1 23 23 PHE N N 15 118.536 0.3 . 1 . . . . . 23 PHE N . 27250 1 80 . 1 1 24 24 LYS H H 1 8.581 0.020 . 1 . . . . . 24 LYS H . 27250 1 81 . 1 1 24 24 LYS CA C 13 55.148 0.3 . 1 . . . . . 24 LYS CA . 27250 1 82 . 1 1 24 24 LYS CB C 13 31.283 0.3 . 1 . . . . . 24 LYS CB . 27250 1 83 . 1 1 24 24 LYS N N 15 121.279 0.3 . 1 . . . . . 24 LYS N . 27250 1 84 . 1 1 25 25 TRP H H 1 8.503 0.020 . 1 . . . . . 25 TRP H . 27250 1 85 . 1 1 25 25 TRP CA C 13 53.904 0.3 . 1 . . . . . 25 TRP CA . 27250 1 86 . 1 1 25 25 TRP CB C 13 28.551 0.3 . 1 . . . . . 25 TRP CB . 27250 1 87 . 1 1 25 25 TRP N N 15 120.733 0.3 . 1 . . . . . 25 TRP N . 27250 1 88 . 1 1 26 26 ARG H H 1 9.971 0.020 . 1 . . . . . 26 ARG H . 27250 1 89 . 1 1 26 26 ARG CA C 13 50.332 0.3 . 1 . . . . . 26 ARG CA . 27250 1 90 . 1 1 26 26 ARG CB C 13 30.277 0.3 . 1 . . . . . 26 ARG CB . 27250 1 91 . 1 1 26 26 ARG N N 15 121.959 0.3 . 1 . . . . . 26 ARG N . 27250 1 92 . 1 1 27 27 ARG H H 1 8.137 0.020 . 1 . . . . . 27 ARG H . 27250 1 93 . 1 1 27 27 ARG CA C 13 53.064 0.3 . 1 . . . . . 27 ARG CA . 27250 1 94 . 1 1 27 27 ARG CB C 13 27.833 0.3 . 1 . . . . . 27 ARG CB . 27250 1 95 . 1 1 27 27 ARG N N 15 126.402 0.3 . 1 . . . . . 27 ARG N . 27250 1 96 . 1 1 28 28 ILE H H 1 8.557 0.020 . 1 . . . . . 28 ILE H . 27250 1 97 . 1 1 28 28 ILE CA C 13 54.717 0.3 . 1 . . . . . 28 ILE CA . 27250 1 98 . 1 1 28 28 ILE CB C 13 37.537 0.3 . 1 . . . . . 28 ILE CB . 27250 1 99 . 1 1 28 28 ILE N N 15 124.696 0.3 . 1 . . . . . 28 ILE N . 27250 1 100 . 1 1 30 30 ALA H H 1 8.404 0.020 . 1 . . . . . 30 ALA H . 27250 1 101 . 1 1 30 30 ALA CA C 13 51.770 0.3 . 1 . . . . . 30 ALA CA . 27250 1 102 . 1 1 30 30 ALA CB C 13 15.253 0.3 . 1 . . . . . 30 ALA CB . 27250 1 103 . 1 1 30 30 ALA N N 15 126.056 0.3 . 1 . . . . . 30 ALA N . 27250 1 104 . 1 1 31 31 SER H H 1 8.231 0.020 . 1 . . . . . 31 SER H . 27250 1 105 . 1 1 31 31 SER CA C 13 57.233 0.3 . 1 . . . . . 31 SER CA . 27250 1 106 . 1 1 31 31 SER CB C 13 59.964 0.3 . 1 . . . . . 31 SER CB . 27250 1 107 . 1 1 31 31 SER N N 15 110.949 0.3 . 1 . . . . . 31 SER N . 27250 1 108 . 1 1 32 32 VAL H H 1 7.483 0.020 . 1 . . . . . 32 VAL H . 27250 1 109 . 1 1 32 32 VAL CA C 13 60.036 0.3 . 1 . . . . . 32 VAL CA . 27250 1 110 . 1 1 32 32 VAL CB C 13 29.558 0.3 . 1 . . . . . 32 VAL CB . 27250 1 111 . 1 1 32 32 VAL N N 15 119.088 0.3 . 1 . . . . . 32 VAL N . 27250 1 112 . 1 1 33 33 VAL H H 1 7.350 0.020 . 1 . . . . . 33 VAL H . 27250 1 113 . 1 1 33 33 VAL CA C 13 62.552 0.3 . 1 . . . . . 33 VAL CA . 27250 1 114 . 1 1 33 33 VAL CB C 13 29.055 0.3 . 1 . . . . . 33 VAL CB . 27250 1 115 . 1 1 33 33 VAL N N 15 121.755 0.3 . 1 . . . . . 33 VAL N . 27250 1 116 . 1 1 34 34 GLY H H 1 8.317 0.020 . 1 . . . . . 34 GLY H . 27250 1 117 . 1 1 34 34 GLY CA C 13 43.144 0.3 . 1 . . . . . 34 GLY CA . 27250 1 118 . 1 1 34 34 GLY N N 15 108.420 0.3 . 1 . . . . . 34 GLY N . 27250 1 119 . 1 1 35 35 SER H H 1 7.813 0.020 . 1 . . . . . 35 SER H . 27250 1 120 . 1 1 35 35 SER CA C 13 56.083 0.3 . 1 . . . . . 35 SER CA . 27250 1 121 . 1 1 35 35 SER CB C 13 61.330 0.3 . 1 . . . . . 35 SER CB . 27250 1 122 . 1 1 35 35 SER N N 15 114.641 0.3 . 1 . . . . . 35 SER N . 27250 1 123 . 1 1 36 36 ILE H H 1 7.595 0.020 . 1 . . . . . 36 ILE H . 27250 1 124 . 1 1 36 36 ILE CA C 13 58.814 0.3 . 1 . . . . . 36 ILE CA . 27250 1 125 . 1 1 36 36 ILE CB C 13 35.380 0.3 . 1 . . . . . 36 ILE CB . 27250 1 126 . 1 1 36 36 ILE N N 15 123.323 0.3 . 1 . . . . . 36 ILE N . 27250 1 127 . 1 1 37 37 ASP H H 1 8.419 0.020 . 1 . . . . . 37 ASP H . 27250 1 128 . 1 1 37 37 ASP CA C 13 51.698 0.3 . 1 . . . . . 37 ASP CA . 27250 1 129 . 1 1 37 37 ASP CB C 13 38.687 0.3 . 1 . . . . . 37 ASP CB . 27250 1 130 . 1 1 37 37 ASP N N 15 125.650 0.3 . 1 . . . . . 37 ASP N . 27250 1 131 . 1 1 38 38 GLU H H 1 8.560 0.020 . 1 . . . . . 38 GLU H . 27250 1 132 . 1 1 38 38 GLU CA C 13 55.431 0.3 . 1 . . . . . 38 GLU CA . 27250 1 133 . 1 1 38 38 GLU CB C 13 26.989 0.3 . 1 . . . . . 38 GLU CB . 27250 1 134 . 1 1 38 38 GLU N N 15 122.162 0.3 . 1 . . . . . 38 GLU N . 27250 1 135 . 1 1 39 39 SER H H 1 8.301 0.020 . 1 . . . . . 39 SER H . 27250 1 136 . 1 1 39 39 SER CA C 13 56.011 0.3 . 1 . . . . . 39 SER CA . 27250 1 137 . 1 1 39 39 SER CB C 13 61.115 0.3 . 1 . . . . . 39 SER CB . 27250 1 138 . 1 1 39 39 SER N N 15 114.367 0.3 . 1 . . . . . 39 SER N . 27250 1 139 . 1 1 40 40 SER H H 1 8.637 0.020 . 1 . . . . . 40 SER H . 27250 1 140 . 1 1 40 40 SER CA C 13 55.723 0.3 . 1 . . . . . 40 SER CA . 27250 1 141 . 1 1 40 40 SER CB C 13 61.402 0.3 . 1 . . . . . 40 SER CB . 27250 1 142 . 1 1 40 40 SER N N 15 122.302 0.3 . 1 . . . . . 40 SER N . 27250 1 143 . 1 1 41 41 ARG H H 1 8.250 0.020 . 1 . . . . . 41 ARG H . 27250 1 144 . 1 1 41 41 ARG CA C 13 53.136 0.3 . 1 . . . . . 41 ARG CA . 27250 1 145 . 1 1 41 41 ARG CB C 13 28.695 0.3 . 1 . . . . . 41 ARG CB . 27250 1 146 . 1 1 41 41 ARG N N 15 123.202 0.3 . 1 . . . . . 41 ARG N . 27250 1 147 . 1 1 42 42 TRP H H 1 9.152 0.020 . 1 . . . . . 42 TRP H . 27250 1 148 . 1 1 42 42 TRP CA C 13 57.017 0.3 . 1 . . . . . 42 TRP CA . 27250 1 149 . 1 1 42 42 TRP CB C 13 29.127 0.3 . 1 . . . . . 42 TRP CB . 27250 1 150 . 1 1 42 42 TRP N N 15 129.615 0.3 . 1 . . . . . 42 TRP N . 27250 1 151 . 1 1 43 43 ILE H H 1 7.022 0.020 . 1 . . . . . 43 ILE H . 27250 1 152 . 1 1 43 43 ILE CA C 13 55.292 0.3 . 1 . . . . . 43 ILE CA . 27250 1 153 . 1 1 43 43 ILE CB C 13 40.053 0.3 . 1 . . . . . 43 ILE CB . 27250 1 154 . 1 1 43 43 ILE N N 15 119.426 0.3 . 1 . . . . . 43 ILE N . 27250 1 155 . 1 1 44 44 CYS H H 1 8.482 0.020 . 1 . . . . . 44 CYS H . 27250 1 156 . 1 1 44 44 CYS CA C 13 64.062 0.3 . 1 . . . . . 44 CYS CA . 27250 1 157 . 1 1 44 44 CYS CB C 13 26.754 0.3 . 1 . . . . . 44 CYS CB . 27250 1 158 . 1 1 44 44 CYS N N 15 121.125 0.3 . 1 . . . . . 44 CYS N . 27250 1 159 . 1 1 45 45 MET H H 1 7.606 0.020 . 1 . . . . . 45 MET H . 27250 1 160 . 1 1 45 45 MET CA C 13 55.076 0.3 . 1 . . . . . 45 MET CA . 27250 1 161 . 1 1 45 45 MET CB C 13 29.558 0.3 . 1 . . . . . 45 MET CB . 27250 1 162 . 1 1 45 45 MET N N 15 113.203 0.3 . 1 . . . . . 45 MET N . 27250 1 163 . 1 1 46 46 ASN H H 1 8.126 0.020 . 1 . . . . . 46 ASN H . 27250 1 164 . 1 1 46 46 ASN CA C 13 51.051 0.3 . 1 . . . . . 46 ASN CA . 27250 1 165 . 1 1 46 46 ASN CB C 13 35.668 0.3 . 1 . . . . . 46 ASN CB . 27250 1 166 . 1 1 46 46 ASN N N 15 116.498 0.3 . 1 . . . . . 46 ASN N . 27250 1 167 . 1 1 47 47 ASN H H 1 8.029 0.020 . 1 . . . . . 47 ASN H . 27250 1 168 . 1 1 47 47 ASN CA C 13 51.051 0.3 . 1 . . . . . 47 ASN CA . 27250 1 169 . 1 1 47 47 ASN CB C 13 36.027 0.3 . 1 . . . . . 47 ASN CB . 27250 1 170 . 1 1 47 47 ASN N N 15 121.755 0.3 . 1 . . . . . 47 ASN N . 27250 1 171 . 1 1 48 48 SER H H 1 8.704 0.020 . 1 . . . . . 48 SER H . 27250 1 172 . 1 1 48 48 SER CA C 13 57.520 0.3 . 1 . . . . . 48 SER CA . 27250 1 173 . 1 1 48 48 SER CB C 13 60.539 0.3 . 1 . . . . . 48 SER CB . 27250 1 174 . 1 1 48 48 SER N N 15 121.826 0.3 . 1 . . . . . 48 SER N . 27250 1 175 . 1 1 49 49 ASP H H 1 7.673 0.020 . 1 . . . . . 49 ASP H . 27250 1 176 . 1 1 49 49 ASP CA C 13 49.901 0.3 . 1 . . . . . 49 ASP CA . 27250 1 177 . 1 1 49 49 ASP CB C 13 37.537 0.3 . 1 . . . . . 49 ASP CB . 27250 1 178 . 1 1 49 49 ASP N N 15 121.208 0.3 . 1 . . . . . 49 ASP N . 27250 1 179 . 1 1 50 50 LYS H H 1 8.403 0.020 . 1 . . . . . 50 LYS H . 27250 1 180 . 1 1 50 50 LYS CA C 13 54.429 0.3 . 1 . . . . . 50 LYS CA . 27250 1 181 . 1 1 50 50 LYS CB C 13 28.048 0.3 . 1 . . . . . 50 LYS CB . 27250 1 182 . 1 1 50 50 LYS N N 15 123.941 0.3 . 1 . . . . . 50 LYS N . 27250 1 183 . 1 1 51 51 ARG H H 1 7.958 0.020 . 1 . . . . . 51 ARG H . 27250 1 184 . 1 1 51 51 ARG CA C 13 55.436 0.3 . 1 . . . . . 51 ARG CA . 27250 1 185 . 1 1 51 51 ARG CB C 13 27.905 0.3 . 1 . . . . . 51 ARG CB . 27250 1 186 . 1 1 51 51 ARG N N 15 118.402 0.3 . 1 . . . . . 51 ARG N . 27250 1 187 . 1 1 52 52 PHE H H 1 7.458 0.020 . 1 . . . . . 52 PHE H . 27250 1 188 . 1 1 52 52 PHE CA C 13 52.920 0.3 . 1 . . . . . 52 PHE CA . 27250 1 189 . 1 1 52 52 PHE CB C 13 38.184 0.3 . 1 . . . . . 52 PHE CB . 27250 1 190 . 1 1 52 52 PHE N N 15 114.228 0.3 . 1 . . . . . 52 PHE N . 27250 1 191 . 1 1 53 53 ALA H H 1 7.245 0.020 . 1 . . . . . 53 ALA H . 27250 1 192 . 1 1 53 53 ALA CA C 13 48.535 0.3 . 1 . . . . . 53 ALA CA . 27250 1 193 . 1 1 53 53 ALA CB C 13 16.763 0.3 . 1 . . . . . 53 ALA CB . 27250 1 194 . 1 1 53 53 ALA N N 15 122.845 0.3 . 1 . . . . . 53 ALA N . 27250 1 195 . 1 1 54 54 ASP H H 1 7.154 0.020 . 1 . . . . . 54 ASP H . 27250 1 196 . 1 1 54 54 ASP CA C 13 51.267 0.3 . 1 . . . . . 54 ASP CA . 27250 1 197 . 1 1 54 54 ASP CB C 13 42.425 0.3 . 1 . . . . . 54 ASP CB . 27250 1 198 . 1 1 54 54 ASP N N 15 114.001 0.3 . 1 . . . . . 54 ASP N . 27250 1 199 . 1 1 55 55 CYS H H 1 8.449 0.020 . 1 . . . . . 55 CYS H . 27250 1 200 . 1 1 55 55 CYS CA C 13 60.036 0.3 . 1 . . . . . 55 CYS CA . 27250 1 201 . 1 1 55 55 CYS CB C 13 27.976 0.3 . 1 . . . . . 55 CYS CB . 27250 1 202 . 1 1 55 55 CYS N N 15 124.875 0.3 . 1 . . . . . 55 CYS N . 27250 1 203 . 1 1 56 56 SER H H 1 8.777 0.020 . 1 . . . . . 56 SER H . 27250 1 204 . 1 1 56 56 SER CA C 13 56.945 0.3 . 1 . . . . . 56 SER CA . 27250 1 205 . 1 1 56 56 SER CB C 13 60.755 0.3 . 1 . . . . . 56 SER CB . 27250 1 206 . 1 1 56 56 SER N N 15 113.000 0.3 . 1 . . . . . 56 SER N . 27250 1 207 . 1 1 57 57 LYS H H 1 7.569 0.020 . 1 . . . . . 57 LYS H . 27250 1 208 . 1 1 57 57 LYS CA C 13 51.626 0.3 . 1 . . . . . 57 LYS CA . 27250 1 209 . 1 1 57 57 LYS CB C 13 28.695 0.3 . 1 . . . . . 57 LYS CB . 27250 1 210 . 1 1 57 57 LYS N N 15 122.786 0.3 . 1 . . . . . 57 LYS N . 27250 1 211 . 1 1 59 59 GLN H H 1 8.984 0.020 . 1 . . . . . 59 GLN H . 27250 1 212 . 1 1 59 59 GLN CA C 13 55.076 0.3 . 1 . . . . . 59 GLN CA . 27250 1 213 . 1 1 59 59 GLN CB C 13 28.695 0.3 . 1 . . . . . 59 GLN CB . 27250 1 214 . 1 1 59 59 GLN N N 15 123.733 0.3 . 1 . . . . . 59 GLN N . 27250 1 215 . 1 1 60 60 GLU H H 1 9.464 0.020 . 1 . . . . . 60 GLU H . 27250 1 216 . 1 1 60 60 GLU CA C 13 56.586 0.3 . 1 . . . . . 60 GLU CA . 27250 1 217 . 1 1 60 60 GLU CB C 13 28.767 0.3 . 1 . . . . . 60 GLU CB . 27250 1 218 . 1 1 60 60 GLU N N 15 127.383 0.3 . 1 . . . . . 60 GLU N . 27250 1 219 . 1 1 61 61 MET H H 1 7.037 0.020 . 1 . . . . . 61 MET H . 27250 1 220 . 1 1 61 61 MET CA C 13 50.979 0.3 . 1 . . . . . 61 MET CA . 27250 1 221 . 1 1 61 61 MET CB C 13 34.158 0.3 . 1 . . . . . 61 MET CB . 27250 1 222 . 1 1 61 61 MET N N 15 112.323 0.3 . 1 . . . . . 61 MET N . 27250 1 223 . 1 1 62 62 SER H H 1 8.785 0.020 . 1 . . . . . 62 SER H . 27250 1 224 . 1 1 62 62 SER CA C 13 55.148 0.3 . 1 . . . . . 62 SER CA . 27250 1 225 . 1 1 62 62 SER CB C 13 62.337 0.3 . 1 . . . . . 62 SER CB . 27250 1 226 . 1 1 62 62 SER N N 15 116.560 0.3 . 1 . . . . . 62 SER N . 27250 1 227 . 1 1 63 63 ASN H H 1 9.012 0.020 . 1 . . . . . 63 ASN H . 27250 1 228 . 1 1 63 63 ASN CA C 13 53.351 0.3 . 1 . . . . . 63 ASN CA . 27250 1 229 . 1 1 63 63 ASN CB C 13 34.662 0.3 . 1 . . . . . 63 ASN CB . 27250 1 230 . 1 1 63 63 ASN N N 15 119.635 0.3 . 1 . . . . . 63 ASN N . 27250 1 231 . 1 1 64 64 GLU H H 1 8.746 0.020 . 1 . . . . . 64 GLU H . 27250 1 232 . 1 1 64 64 GLU CA C 13 57.592 0.3 . 1 . . . . . 64 GLU CA . 27250 1 233 . 1 1 64 64 GLU CB C 13 25.964 0.3 . 1 . . . . . 64 GLU CB . 27250 1 234 . 1 1 64 64 GLU N N 15 118.606 0.3 . 1 . . . . . 64 GLU N . 27250 1 235 . 1 1 65 65 GLU H H 1 7.569 0.020 . 1 . . . . . 65 GLU H . 27250 1 236 . 1 1 65 65 GLU CA C 13 56.083 0.3 . 1 . . . . . 65 GLU CA . 27250 1 237 . 1 1 65 65 GLU CB C 13 27.401 0.3 . 1 . . . . . 65 GLU CB . 27250 1 238 . 1 1 65 65 GLU N N 15 120.726 0.3 . 1 . . . . . 65 GLU N . 27250 1 239 . 1 1 66 66 ILE H H 1 7.888 0.020 . 1 . . . . . 66 ILE H . 27250 1 240 . 1 1 66 66 ILE CA C 13 62.193 0.3 . 1 . . . . . 66 ILE CA . 27250 1 241 . 1 1 66 66 ILE CB C 13 34.446 0.3 . 1 . . . . . 66 ILE CB . 27250 1 242 . 1 1 66 66 ILE N N 15 122.642 0.3 . 1 . . . . . 66 ILE N . 27250 1 243 . 1 1 67 67 ASN H H 1 7.771 0.020 . 1 . . . . . 67 ASN H . 27250 1 244 . 1 1 67 67 ASN CA C 13 52.776 0.3 . 1 . . . . . 67 ASN CA . 27250 1 245 . 1 1 67 67 ASN CB C 13 34.374 0.3 . 1 . . . . . 67 ASN CB . 27250 1 246 . 1 1 67 67 ASN N N 15 117.993 0.3 . 1 . . . . . 67 ASN N . 27250 1 247 . 1 1 68 68 GLU H H 1 7.515 0.020 . 1 . . . . . 68 GLU H . 27250 1 248 . 1 1 68 68 GLU CA C 13 56.083 0.3 . 1 . . . . . 68 GLU CA . 27250 1 249 . 1 1 68 68 GLU CB C 13 26.467 0.3 . 1 . . . . . 68 GLU CB . 27250 1 250 . 1 1 68 68 GLU N N 15 119.109 0.3 . 1 . . . . . 68 GLU N . 27250 1 251 . 1 1 69 69 GLU H H 1 7.731 0.020 . 1 . . . . . 69 GLU H . 27250 1 252 . 1 1 69 69 GLU CA C 13 56.442 0.3 . 1 . . . . . 69 GLU CA . 27250 1 253 . 1 1 69 69 GLU CB C 13 26.539 0.3 . 1 . . . . . 69 GLU CB . 27250 1 254 . 1 1 69 69 GLU N N 15 121.208 0.3 . 1 . . . . . 69 GLU N . 27250 1 255 . 1 1 70 70 LEU H H 1 7.896 0.020 . 1 . . . . . 70 LEU H . 27250 1 256 . 1 1 70 70 LEU CA C 13 52.632 0.3 . 1 . . . . . 70 LEU CA . 27250 1 257 . 1 1 70 70 LEU CB C 13 40.053 0.3 . 1 . . . . . 70 LEU CB . 27250 1 258 . 1 1 70 70 LEU N N 15 116.551 0.3 . 1 . . . . . 70 LEU N . 27250 1 259 . 1 1 71 71 GLY H H 1 7.712 0.020 . 1 . . . . . 71 GLY H . 27250 1 260 . 1 1 71 71 GLY CA C 13 43.216 0.3 . 1 . . . . . 71 GLY CA . 27250 1 261 . 1 1 71 71 GLY N N 15 108.216 0.3 . 1 . . . . . 71 GLY N . 27250 1 262 . 1 1 72 72 ILE H H 1 7.739 0.020 . 1 . . . . . 72 ILE H . 27250 1 263 . 1 1 72 72 ILE CA C 13 58.239 0.3 . 1 . . . . . 72 ILE CA . 27250 1 264 . 1 1 72 72 ILE CB C 13 36.027 0.3 . 1 . . . . . 72 ILE CB . 27250 1 265 . 1 1 72 72 ILE N N 15 118.811 0.3 . 1 . . . . . 72 ILE N . 27250 1 266 . 1 1 73 73 GLY H H 1 8.395 0.020 . 1 . . . . . 73 GLY H . 27250 1 267 . 1 1 73 73 GLY CA C 13 42.281 0.3 . 1 . . . . . 73 GLY CA . 27250 1 268 . 1 1 73 73 GLY N N 15 112.760 0.3 . 1 . . . . . 73 GLY N . 27250 1 269 . 1 1 74 74 GLN H H 1 8.161 0.020 . 1 . . . . . 74 GLN H . 27250 1 270 . 1 1 74 74 GLN CA C 13 53.136 0.3 . 1 . . . . . 74 GLN CA . 27250 1 271 . 1 1 74 74 GLN CB C 13 26.611 0.3 . 1 . . . . . 74 GLN CB . 27250 1 272 . 1 1 74 74 GLN N N 15 119.388 0.3 . 1 . . . . . 74 GLN N . 27250 1 273 . 1 1 75 75 ASP H H 1 8.395 0.020 . 1 . . . . . 75 ASP H . 27250 1 274 . 1 1 75 75 ASP CA C 13 51.698 0.3 . 1 . . . . . 75 ASP CA . 27250 1 275 . 1 1 75 75 ASP CB C 13 38.256 0.3 . 1 . . . . . 75 ASP CB . 27250 1 276 . 1 1 75 75 ASP N N 15 121.074 0.3 . 1 . . . . . 75 ASP N . 27250 1 277 . 1 1 76 76 GLU H H 1 8.209 0.020 . 1 . . . . . 76 GLU H . 27250 1 278 . 1 1 76 76 GLU CA C 13 53.854 0.3 . 1 . . . . . 76 GLU CA . 27250 1 279 . 1 1 76 76 GLU CB C 13 27.401 0.3 . 1 . . . . . 76 GLU CB . 27250 1 280 . 1 1 76 76 GLU N N 15 121.273 0.3 . 1 . . . . . 76 GLU N . 27250 1 281 . 1 1 77 77 ALA H H 1 8.209 0.020 . 1 . . . . . 77 ALA H . 27250 1 282 . 1 1 77 77 ALA CA C 13 49.829 0.3 . 1 . . . . . 77 ALA CA . 27250 1 283 . 1 1 77 77 ALA CB C 13 16.547 0.3 . 1 . . . . . 77 ALA CB . 27250 1 284 . 1 1 77 77 ALA N N 15 124.685 0.3 . 1 . . . . . 77 ALA N . 27250 1 285 . 1 1 78 78 ASP H H 1 8.184 0.020 . 1 . . . . . 78 ASP H . 27250 1 286 . 1 1 78 78 ASP CA C 13 51.554 0.3 . 1 . . . . . 78 ASP CA . 27250 1 287 . 1 1 78 78 ASP CB C 13 38.184 0.3 . 1 . . . . . 78 ASP CB . 27250 1 288 . 1 1 78 78 ASP N N 15 119.771 0.3 . 1 . . . . . 78 ASP N . 27250 1 289 . 1 1 79 79 ALA H H 1 7.660 0.020 . 1 . . . . . 79 ALA H . 27250 1 290 . 1 1 79 79 ALA CA C 13 51.051 0.3 . 1 . . . . . 79 ALA CA . 27250 1 291 . 1 1 79 79 ALA CB C 13 17.481 0.3 . 1 . . . . . 79 ALA CB . 27250 1 292 . 1 1 79 79 ALA N N 15 129.213 0.3 . 1 . . . . . 79 ALA N . 27250 1 stop_ save_