################################### # 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 16898 _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 '3D HNCA' . . . 16898 1 2 '3D CBCA(CO)NH' . . . 16898 1 3 '3D HNCACB' . . . 16898 1 4 '3D 1H-15N NOESY' . . . 16898 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 3 3 SER H H 1 9.794 0.001 . 1 . . . . 3 SER HN . 16898 1 2 . 1 1 3 3 SER CA C 13 56.897 0.039 . 1 . . . . 3 SER CA . 16898 1 3 . 1 1 3 3 SER N N 15 123.513 0.001 . 1 . . . . 3 SER N . 16898 1 4 . 1 1 6 6 ASP H H 1 8.074 0.001 . 1 . . . . 6 ASP HN . 16898 1 5 . 1 1 6 6 ASP CA C 13 57.635 0.039 . 1 . . . . 6 ASP CA . 16898 1 6 . 1 1 6 6 ASP N N 15 118.112 0.008 . 1 . . . . 6 ASP N . 16898 1 7 . 1 1 7 7 LYS H H 1 8.261 0.001 . 1 . . . . 7 LYS HN . 16898 1 8 . 1 1 7 7 LYS CA C 13 61.373 0.002 . 1 . . . . 7 LYS CA . 16898 1 9 . 1 1 7 7 LYS N N 15 118.774 0.011 . 1 . . . . 7 LYS N . 16898 1 10 . 1 1 8 8 THR H H 1 8.189 0.002 . 1 . . . . 8 THR HN . 16898 1 11 . 1 1 8 8 THR CA C 13 66.854 0.039 . 1 . . . . 8 THR CA . 16898 1 12 . 1 1 8 8 THR N N 15 116.503 0.045 . 1 . . . . 8 THR N . 16898 1 13 . 1 1 10 10 VAL H H 1 8.541 0.001 . 1 . . . . 10 VAL HN . 16898 1 14 . 1 1 10 10 VAL CA C 13 66.846 0.012 . 1 . . . . 10 VAL CA . 16898 1 15 . 1 1 10 10 VAL N N 15 120.532 0.017 . 1 . . . . 10 VAL N . 16898 1 16 . 1 1 11 11 LYS H H 1 8.022 0.002 . 1 . . . . 11 LYS HN . 16898 1 17 . 1 1 11 11 LYS CA C 13 60.225 0.040 . 1 . . . . 11 LYS CA . 16898 1 18 . 1 1 11 11 LYS N N 15 118.032 0.019 . 1 . . . . 11 LYS N . 16898 1 19 . 1 1 12 12 ALA H H 1 8.305 0.002 . 1 . . . . 12 ALA HN . 16898 1 20 . 1 1 12 12 ALA CA C 13 54.806 0.000 . 1 . . . . 12 ALA CA . 16898 1 21 . 1 1 12 12 ALA N N 15 121.859 0.027 . 1 . . . . 12 ALA N . 16898 1 22 . 1 1 14 14 TRP H H 1 8.995 0.001 . 1 . . . . 14 TRP HN . 16898 1 23 . 1 1 14 14 TRP CA C 13 60.191 0.011 . 1 . . . . 14 TRP CA . 16898 1 24 . 1 1 14 14 TRP N N 15 117.755 0.000 . 1 . . . . 14 TRP N . 16898 1 25 . 1 1 15 15 GLY H H 1 8.079 0.009 . 1 . . . . 15 GLY HN . 16898 1 26 . 1 1 15 15 GLY CA C 13 46.741 0.003 . 1 . . . . 15 GLY CA . 16898 1 27 . 1 1 15 15 GLY N N 15 105.277 0.018 . 1 . . . . 15 GLY N . 16898 1 28 . 1 1 16 16 LYS H H 1 7.416 0.007 . 1 . . . . 16 LYS HN . 16898 1 29 . 1 1 16 16 LYS CA C 13 57.008 0.008 . 1 . . . . 16 LYS CA . 16898 1 30 . 1 1 16 16 LYS N N 15 119.672 0.064 . 1 . . . . 16 LYS N . 16898 1 31 . 1 1 17 17 VAL H H 1 7.636 0.004 . 1 . . . . 17 VAL HN . 16898 1 32 . 1 1 17 17 VAL CA C 13 65.796 0.021 . 1 . . . . 17 VAL CA . 16898 1 33 . 1 1 17 17 VAL N N 15 120.131 0.006 . 1 . . . . 17 VAL N . 16898 1 34 . 1 1 18 18 GLY H H 1 7.380 0.004 . 1 . . . . 18 GLY HN . 16898 1 35 . 1 1 18 18 GLY CA C 13 47.023 0.000 . 1 . . . . 18 GLY CA . 16898 1 36 . 1 1 18 18 GLY N N 15 103.738 0.014 . 1 . . . . 18 GLY N . 16898 1 37 . 1 1 20 20 HIS H H 1 7.751 0.007 . 1 . . . . 20 HIS HN . 16898 1 38 . 1 1 20 20 HIS CA C 13 55.836 0.024 . 1 . . . . 20 HIS CA . 16898 1 39 . 1 1 20 20 HIS N N 15 115.143 0.117 . 1 . . . . 20 HIS N . 16898 1 40 . 1 1 21 21 ALA H H 1 7.199 0.203 . 1 . . . . 21 ALA HN . 16898 1 41 . 1 1 21 21 ALA CA C 13 56.291 0.050 . 1 . . . . 21 ALA CA . 16898 1 42 . 1 1 21 21 ALA CB C 13 17.937 0.000 . 1 . . . . 21 ALA CB . 16898 1 43 . 1 1 21 21 ALA N N 15 121.580 0.470 . 1 . . . . 21 ALA N . 16898 1 44 . 1 1 22 22 GLY H H 1 8.493 0.005 . 1 . . . . 22 GLY HN . 16898 1 45 . 1 1 22 22 GLY CA C 13 47.273 0.010 . 1 . . . . 22 GLY CA . 16898 1 46 . 1 1 22 22 GLY N N 15 104.484 0.032 . 1 . . . . 22 GLY N . 16898 1 47 . 1 1 23 23 GLU H H 1 7.759 0.007 . 1 . . . . 23 GLU HN . 16898 1 48 . 1 1 23 23 GLU CA C 13 58.843 0.001 . 1 . . . . 23 GLU CA . 16898 1 49 . 1 1 23 23 GLU N N 15 123.980 0.029 . 1 . . . . 23 GLU N . 16898 1 50 . 1 1 24 24 TYR H H 1 7.935 0.008 . 1 . . . . 24 TYR HN . 16898 1 51 . 1 1 24 24 TYR CA C 13 57.199 0.007 . 1 . . . . 24 TYR CA . 16898 1 52 . 1 1 24 24 TYR N N 15 120.098 0.028 . 1 . . . . 24 TYR N . 16898 1 53 . 1 1 25 25 GLY H H 1 8.716 0.010 . 1 . . . . 25 GLY HN . 16898 1 54 . 1 1 25 25 GLY CA C 13 46.704 0.021 . 1 . . . . 25 GLY CA . 16898 1 55 . 1 1 25 25 GLY N N 15 107.988 0.019 . 1 . . . . 25 GLY N . 16898 1 56 . 1 1 26 26 ALA H H 1 7.753 0.005 . 1 . . . . 26 ALA HN . 16898 1 57 . 1 1 26 26 ALA CA C 13 54.851 0.053 . 1 . . . . 26 ALA CA . 16898 1 58 . 1 1 26 26 ALA CB C 13 19.064 0.000 . 1 . . . . 26 ALA CB . 16898 1 59 . 1 1 26 26 ALA N N 15 121.994 0.016 . 1 . . . . 26 ALA N . 16898 1 60 . 1 1 27 27 GLU H H 1 7.817 0.004 . 1 . . . . 27 GLU HN . 16898 1 61 . 1 1 27 27 GLU CA C 13 59.053 0.022 . 1 . . . . 27 GLU CA . 16898 1 62 . 1 1 27 27 GLU N N 15 118.282 0.017 . 1 . . . . 27 GLU N . 16898 1 63 . 1 1 28 28 ALA H H 1 8.290 0.002 . 1 . . . . 28 ALA HN . 16898 1 64 . 1 1 28 28 ALA CA C 13 55.434 0.011 . 1 . . . . 28 ALA CA . 16898 1 65 . 1 1 28 28 ALA N N 15 121.904 0.033 . 1 . . . . 28 ALA N . 16898 1 66 . 1 1 29 29 LEU H H 1 7.171 0.001 . 1 . . . . 29 LEU HN . 16898 1 67 . 1 1 29 29 LEU CA C 13 57.509 0.048 . 1 . . . . 29 LEU CA . 16898 1 68 . 1 1 29 29 LEU N N 15 117.127 0.025 . 1 . . . . 29 LEU N . 16898 1 69 . 1 1 30 30 GLU H H 1 7.710 0.004 . 1 . . . . 30 GLU HN . 16898 1 70 . 1 1 30 30 GLU CA C 13 60.492 0.054 . 1 . . . . 30 GLU CA . 16898 1 71 . 1 1 30 30 GLU N N 15 115.670 0.004 . 1 . . . . 30 GLU N . 16898 1 72 . 1 1 31 31 ARG H H 1 8.433 0.006 . 1 . . . . 31 ARG HN . 16898 1 73 . 1 1 31 31 ARG CA C 13 58.947 0.032 . 1 . . . . 31 ARG CA . 16898 1 74 . 1 1 31 31 ARG N N 15 119.145 0.040 . 1 . . . . 31 ARG N . 16898 1 75 . 1 1 32 32 MET H H 1 8.076 0.002 . 1 . . . . 32 MET HN . 16898 1 76 . 1 1 32 32 MET CA C 13 60.471 0.065 . 1 . . . . 32 MET CA . 16898 1 77 . 1 1 32 32 MET N N 15 123.227 0.015 . 1 . . . . 32 MET N . 16898 1 78 . 1 1 33 33 PHE H H 1 8.009 0.003 . 1 . . . . 33 PHE HN . 16898 1 79 . 1 1 33 33 PHE CA C 13 58.029 0.014 . 1 . . . . 33 PHE CA . 16898 1 80 . 1 1 33 33 PHE N N 15 117.371 0.006 . 1 . . . . 33 PHE N . 16898 1 81 . 1 1 34 34 LEU H H 1 7.561 0.002 . 1 . . . . 34 LEU HN . 16898 1 82 . 1 1 34 34 LEU CA C 13 57.002 0.021 . 1 . . . . 34 LEU CA . 16898 1 83 . 1 1 34 34 LEU N N 15 116.624 0.009 . 1 . . . . 34 LEU N . 16898 1 84 . 1 1 35 35 SER H H 1 8.726 0.003 . 1 . . . . 35 SER HN . 16898 1 85 . 1 1 35 35 SER CA C 13 62.059 0.019 . 1 . . . . 35 SER CA . 16898 1 86 . 1 1 35 35 SER N N 15 114.536 0.006 . 1 . . . . 35 SER N . 16898 1 87 . 1 1 36 36 PHE H H 1 8.440 0.002 . 1 . . . . 36 PHE HN . 16898 1 88 . 1 1 36 36 PHE CA C 13 54.608 0.000 . 1 . . . . 36 PHE CA . 16898 1 89 . 1 1 36 36 PHE N N 15 118.722 0.004 . 1 . . . . 36 PHE N . 16898 1 90 . 1 1 38 38 THR H H 1 8.700 0.003 . 1 . . . . 38 THR HN . 16898 1 91 . 1 1 38 38 THR CA C 13 65.791 0.000 . 1 . . . . 38 THR CA . 16898 1 92 . 1 1 38 38 THR N N 15 115.191 0.007 . 1 . . . . 38 THR N . 16898 1 93 . 1 1 39 39 THR H H 1 9.021 0.001 . 1 . . . . 39 THR HN . 16898 1 94 . 1 1 39 39 THR CA C 13 66.562 0.007 . 1 . . . . 39 THR CA . 16898 1 95 . 1 1 39 39 THR N N 15 114.407 0.018 . 1 . . . . 39 THR N . 16898 1 96 . 1 1 40 40 LYS H H 1 7.849 0.005 . 1 . . . . 40 LYS HN . 16898 1 97 . 1 1 40 40 LYS CA C 13 59.731 0.012 . 1 . . . . 40 LYS CA . 16898 1 98 . 1 1 40 40 LYS N N 15 118.306 0.010 . 1 . . . . 40 LYS N . 16898 1 99 . 1 1 41 41 THR H H 1 7.975 0.002 . 1 . . . . 41 THR HN . 16898 1 100 . 1 1 41 41 THR CA C 13 64.868 0.002 . 1 . . . . 41 THR CA . 16898 1 101 . 1 1 41 41 THR N N 15 111.627 0.016 . 1 . . . . 41 THR N . 16898 1 102 . 1 1 42 42 TYR H H 1 7.417 0.002 . 1 . . . . 42 TYR HN . 16898 1 103 . 1 1 42 42 TYR CA C 13 60.277 0.040 . 1 . . . . 42 TYR CA . 16898 1 104 . 1 1 42 42 TYR N N 15 116.560 0.014 . 1 . . . . 42 TYR N . 16898 1 105 . 1 1 43 43 PHE H H 1 7.851 0.002 . 1 . . . . 43 PHE HN . 16898 1 106 . 1 1 43 43 PHE CA C 13 55.293 0.000 . 1 . . . . 43 PHE CA . 16898 1 107 . 1 1 43 43 PHE N N 15 116.628 0.039 . 1 . . . . 43 PHE N . 16898 1 108 . 1 1 44 44 PRO CA C 13 65.517 0.000 . 1 . . . . 44 PRO CA . 16898 1 109 . 1 1 45 45 HIS H H 1 9.893 0.002 . 1 . . . . 45 HIS HN . 16898 1 110 . 1 1 45 45 HIS CA C 13 55.512 0.000 . 1 . . . . 45 HIS CA . 16898 1 111 . 1 1 45 45 HIS N N 15 117.478 0.027 . 1 . . . . 45 HIS N . 16898 1 112 . 1 1 46 46 PHE H H 1 7.559 0.000 . 1 . . . . 46 PHE HN . 16898 1 113 . 1 1 46 46 PHE CA C 13 55.203 0.021 . 1 . . . . 46 PHE CA . 16898 1 114 . 1 1 46 46 PHE N N 15 122.931 0.009 . 1 . . . . 46 PHE N . 16898 1 115 . 1 1 47 47 ASP H H 1 7.809 0.001 . 1 . . . . 47 ASP HN . 16898 1 116 . 1 1 47 47 ASP CA C 13 53.544 0.000 . 1 . . . . 47 ASP CA . 16898 1 117 . 1 1 47 47 ASP N N 15 118.995 0.026 . 1 . . . . 47 ASP N . 16898 1 118 . 1 1 48 48 LEU H H 1 8.608 0.001 . 1 . . . . 48 LEU HN . 16898 1 119 . 1 1 48 48 LEU CA C 13 53.511 0.006 . 1 . . . . 48 LEU CA . 16898 1 120 . 1 1 48 48 LEU N N 15 127.998 0.022 . 1 . . . . 48 LEU N . 16898 1 121 . 1 1 49 49 SER H H 1 8.304 0.005 . 1 . . . . 49 SER HN . 16898 1 122 . 1 1 49 49 SER CA C 13 59.231 0.000 . 1 . . . . 49 SER CA . 16898 1 123 . 1 1 49 49 SER N N 15 117.640 0.004 . 1 . . . . 49 SER N . 16898 1 124 . 1 1 51 51 GLY H H 1 9.453 0.003 . 1 . . . . 51 GLY HN . 16898 1 125 . 1 1 51 51 GLY CA C 13 45.279 0.011 . 1 . . . . 51 GLY CA . 16898 1 126 . 1 1 51 51 GLY N N 15 116.958 0.010 . 1 . . . . 51 GLY N . 16898 1 127 . 1 1 52 52 SER H H 1 7.515 0.004 . 1 . . . . 52 SER HN . 16898 1 128 . 1 1 52 52 SER CA C 13 57.156 0.070 . 1 . . . . 52 SER CA . 16898 1 129 . 1 1 52 52 SER CB C 13 64.689 0.000 . 1 . . . . 52 SER CB . 16898 1 130 . 1 1 52 52 SER N N 15 114.647 0.025 . 1 . . . . 52 SER N . 16898 1 131 . 1 1 54 54 GLN H H 1 8.334 0.002 . 1 . . . . 54 GLN HN . 16898 1 132 . 1 1 54 54 GLN CA C 13 58.829 0.006 . 1 . . . . 54 GLN CA . 16898 1 133 . 1 1 54 54 GLN N N 15 119.700 0.016 . 1 . . . . 54 GLN N . 16898 1 134 . 1 1 55 55 VAL H H 1 7.493 0.002 . 1 . . . . 55 VAL HN . 16898 1 135 . 1 1 55 55 VAL CA C 13 67.246 0.020 . 1 . . . . 55 VAL CA . 16898 1 136 . 1 1 55 55 VAL N N 15 121.836 0.014 . 1 . . . . 55 VAL N . 16898 1 137 . 1 1 56 56 LYS H H 1 7.905 0.003 . 1 . . . . 56 LYS HN . 16898 1 138 . 1 1 56 56 LYS CA C 13 59.842 0.012 . 1 . . . . 56 LYS CA . 16898 1 139 . 1 1 56 56 LYS N N 15 120.153 0.009 . 1 . . . . 56 LYS N . 16898 1 140 . 1 1 57 57 GLY H H 1 8.213 0.012 . 1 . . . . 57 GLY HN . 16898 1 141 . 1 1 57 57 GLY CA C 13 46.636 0.083 . 1 . . . . 57 GLY CA . 16898 1 142 . 1 1 57 57 GLY N N 15 105.904 0.052 . 1 . . . . 57 GLY N . 16898 1 143 . 1 1 58 58 HIS H H 1 8.056 0.008 . 1 . . . . 58 HIS HN . 16898 1 144 . 1 1 58 58 HIS CA C 13 59.962 0.011 . 1 . . . . 58 HIS CA . 16898 1 145 . 1 1 58 58 HIS N N 15 124.127 0.035 . 1 . . . . 58 HIS N . 16898 1 146 . 1 1 59 59 GLY H H 1 8.571 0.001 . 1 . . . . 59 GLY HN . 16898 1 147 . 1 1 59 59 GLY CA C 13 46.441 0.006 . 1 . . . . 59 GLY CA . 16898 1 148 . 1 1 59 59 GLY N N 15 105.707 0.007 . 1 . . . . 59 GLY N . 16898 1 149 . 1 1 60 60 LYS H H 1 7.001 0.006 . 1 . . . . 60 LYS HN . 16898 1 150 . 1 1 60 60 LYS CA C 13 59.368 0.009 . 1 . . . . 60 LYS CA . 16898 1 151 . 1 1 60 60 LYS N N 15 119.553 0.028 . 1 . . . . 60 LYS N . 16898 1 152 . 1 1 61 61 LYS H H 1 6.875 0.005 . 1 . . . . 61 LYS HN . 16898 1 153 . 1 1 61 61 LYS CA C 13 60.072 0.023 . 1 . . . . 61 LYS CA . 16898 1 154 . 1 1 61 61 LYS N N 15 118.432 0.203 . 1 . . . . 61 LYS N . 16898 1 155 . 1 1 62 62 VAL H H 1 7.515 0.001 . 1 . . . . 62 VAL HN . 16898 1 156 . 1 1 62 62 VAL CA C 13 66.896 0.028 . 1 . . . . 62 VAL CA . 16898 1 157 . 1 1 62 62 VAL N N 15 119.931 0.007 . 1 . . . . 62 VAL N . 16898 1 158 . 1 1 63 63 ALA H H 1 8.134 0.004 . 1 . . . . 63 ALA HN . 16898 1 159 . 1 1 63 63 ALA CA C 13 55.918 0.031 . 1 . . . . 63 ALA CA . 16898 1 160 . 1 1 63 63 ALA N N 15 120.816 0.007 . 1 . . . . 63 ALA N . 16898 1 161 . 1 1 64 64 ASP H H 1 8.870 0.001 . 1 . . . . 64 ASP HN . 16898 1 162 . 1 1 64 64 ASP CA C 13 57.676 0.036 . 1 . . . . 64 ASP CA . 16898 1 163 . 1 1 64 64 ASP N N 15 119.898 0.008 . 1 . . . . 64 ASP N . 16898 1 164 . 1 1 65 65 ALA H H 1 8.208 0.000 . 1 . . . . 65 ALA HN . 16898 1 165 . 1 1 65 65 ALA CA C 13 55.376 0.020 . 1 . . . . 65 ALA CA . 16898 1 166 . 1 1 65 65 ALA N N 15 124.165 0.022 . 1 . . . . 65 ALA N . 16898 1 167 . 1 1 66 66 LEU H H 1 8.454 0.003 . 1 . . . . 66 LEU HN . 16898 1 168 . 1 1 66 66 LEU CA C 13 57.837 0.064 . 1 . . . . 66 LEU CA . 16898 1 169 . 1 1 66 66 LEU N N 15 119.746 0.027 . 1 . . . . 66 LEU N . 16898 1 170 . 1 1 67 67 THR H H 1 9.180 0.001 . 1 . . . . 67 THR HN . 16898 1 171 . 1 1 67 67 THR CA C 13 67.062 0.002 . 1 . . . . 67 THR CA . 16898 1 172 . 1 1 67 67 THR N N 15 118.671 0.031 . 1 . . . . 67 THR N . 16898 1 173 . 1 1 68 68 ASN H H 1 7.961 0.002 . 1 . . . . 68 ASN HN . 16898 1 174 . 1 1 68 68 ASN CA C 13 56.453 0.000 . 1 . . . . 68 ASN CA . 16898 1 175 . 1 1 68 68 ASN N N 15 120.694 0.009 . 1 . . . . 68 ASN N . 16898 1 176 . 1 1 69 69 ALA H H 1 8.268 0.001 . 1 . . . . 69 ALA HN . 16898 1 177 . 1 1 69 69 ALA CA C 13 56.042 0.062 . 1 . . . . 69 ALA CA . 16898 1 178 . 1 1 69 69 ALA N N 15 123.191 0.002 . 1 . . . . 69 ALA N . 16898 1 179 . 1 1 70 70 VAL H H 1 8.203 0.004 . 1 . . . . 70 VAL HN . 16898 1 180 . 1 1 70 70 VAL CA C 13 66.887 0.005 . 1 . . . . 70 VAL CA . 16898 1 181 . 1 1 70 70 VAL N N 15 117.113 0.070 . 1 . . . . 70 VAL N . 16898 1 182 . 1 1 71 71 ALA H H 1 7.743 0.008 . 1 . . . . 71 ALA HN . 16898 1 183 . 1 1 71 71 ALA CA C 13 54.231 0.038 . 1 . . . . 71 ALA CA . 16898 1 184 . 1 1 71 71 ALA CB C 13 17.644 0.000 . 1 . . . . 71 ALA CB . 16898 1 185 . 1 1 71 71 ALA N N 15 120.592 0.034 . 1 . . . . 71 ALA N . 16898 1 186 . 1 1 72 72 HIS H H 1 7.652 0.003 . 1 . . . . 72 HIS HN . 16898 1 187 . 1 1 72 72 HIS CA C 13 55.013 0.180 . 1 . . . . 72 HIS CA . 16898 1 188 . 1 1 72 72 HIS CB C 13 28.156 0.000 . 1 . . . . 72 HIS CB . 16898 1 189 . 1 1 72 72 HIS N N 15 116.177 0.032 . 1 . . . . 72 HIS N . 16898 1 190 . 1 1 73 73 VAL H H 1 6.774 0.005 . 1 . . . . 73 VAL HN . 16898 1 191 . 1 1 73 73 VAL CA C 13 65.271 0.108 . 1 . . . . 73 VAL CA . 16898 1 192 . 1 1 73 73 VAL N N 15 119.790 0.018 . 1 . . . . 73 VAL N . 16898 1 193 . 1 1 74 74 ASP H H 1 8.247 0.014 . 1 . . . . 74 ASP HN . 16898 1 194 . 1 1 74 74 ASP CA C 13 55.284 0.000 . 1 . . . . 74 ASP CA . 16898 1 195 . 1 1 74 74 ASP N N 15 119.025 0.045 . 1 . . . . 74 ASP N . 16898 1 196 . 1 1 75 75 ASP H H 1 8.400 0.006 . 1 . . . . 75 ASP HN . 16898 1 197 . 1 1 75 75 ASP CA C 13 52.995 0.013 . 1 . . . . 75 ASP CA . 16898 1 198 . 1 1 75 75 ASP N N 15 122.551 0.021 . 1 . . . . 75 ASP N . 16898 1 199 . 1 1 76 76 MET H H 1 8.662 0.103 . 1 . . . . 76 MET HN . 16898 1 200 . 1 1 76 76 MET CA C 13 61.605 0.000 . 1 . . . . 76 MET CA . 16898 1 201 . 1 1 76 76 MET N N 15 122.418 0.179 . 1 . . . . 76 MET N . 16898 1 202 . 1 1 77 77 PRO CA C 13 66.720 0.000 . 1 . . . . 77 PRO CA . 16898 1 203 . 1 1 78 78 ASN H H 1 7.531 0.001 . 1 . . . . 78 ASN HN . 16898 1 204 . 1 1 78 78 ASN CA C 13 55.574 0.011 . 1 . . . . 78 ASN CA . 16898 1 205 . 1 1 78 78 ASN N N 15 113.218 0.018 . 1 . . . . 78 ASN N . 16898 1 206 . 1 1 79 79 ALA H H 1 7.766 0.001 . 1 . . . . 79 ALA HN . 16898 1 207 . 1 1 79 79 ALA CA C 13 54.169 0.000 . 1 . . . . 79 ALA CA . 16898 1 208 . 1 1 79 79 ALA N N 15 120.760 0.012 . 1 . . . . 79 ALA N . 16898 1 209 . 1 1 80 80 LEU H H 1 7.788 0.002 . 1 . . . . 80 LEU HN . 16898 1 210 . 1 1 80 80 LEU CA C 13 54.333 0.000 . 1 . . . . 80 LEU CA . 16898 1 211 . 1 1 80 80 LEU N N 15 114.040 0.007 . 1 . . . . 80 LEU N . 16898 1 212 . 1 1 81 81 SER H H 1 7.587 0.006 . 1 . . . . 81 SER HN . 16898 1 213 . 1 1 81 81 SER CA C 13 62.744 0.000 . 1 . . . . 81 SER CA . 16898 1 214 . 1 1 81 81 SER N N 15 117.386 0.002 . 1 . . . . 81 SER N . 16898 1 215 . 1 1 83 83 LEU H H 1 7.659 0.002 . 1 . . . . 83 LEU HN . 16898 1 216 . 1 1 83 83 LEU CA C 13 56.292 0.000 . 1 . . . . 83 LEU CA . 16898 1 217 . 1 1 83 83 LEU N N 15 119.133 0.003 . 1 . . . . 83 LEU N . 16898 1 218 . 1 1 85 85 ASP H H 1 7.542 0.002 . 1 . . . . 85 ASP HN . 16898 1 219 . 1 1 85 85 ASP CA C 13 57.594 0.000 . 1 . . . . 85 ASP CA . 16898 1 220 . 1 1 85 85 ASP N N 15 119.709 0.004 . 1 . . . . 85 ASP N . 16898 1 221 . 1 1 86 86 LEU H H 1 7.399 0.000 . 1 . . . . 86 LEU HN . 16898 1 222 . 1 1 86 86 LEU CA C 13 57.840 0.000 . 1 . . . . 86 LEU CA . 16898 1 223 . 1 1 86 86 LEU N N 15 117.893 0.010 . 1 . . . . 86 LEU N . 16898 1 224 . 1 1 89 89 HIS H H 1 7.623 0.002 . 1 . . . . 89 HIS HN . 16898 1 225 . 1 1 89 89 HIS CA C 13 57.267 0.068 . 1 . . . . 89 HIS CA . 16898 1 226 . 1 1 89 89 HIS N N 15 112.724 0.001 . 1 . . . . 89 HIS N . 16898 1 227 . 1 1 90 90 LYS H H 1 7.235 0.004 . 1 . . . . 90 LYS HN . 16898 1 228 . 1 1 90 90 LYS CA C 13 58.144 0.033 . 1 . . . . 90 LYS CA . 16898 1 229 . 1 1 90 90 LYS N N 15 118.421 0.053 . 1 . . . . 90 LYS N . 16898 1 230 . 1 1 91 91 LEU H H 1 7.428 0.004 . 1 . . . . 91 LEU HN . 16898 1 231 . 1 1 91 91 LEU CA C 13 54.875 0.029 . 1 . . . . 91 LEU CA . 16898 1 232 . 1 1 91 91 LEU N N 15 114.921 0.048 . 1 . . . . 91 LEU N . 16898 1 233 . 1 1 92 92 ARG H H 1 6.412 0.001 . 1 . . . . 92 ARG HN . 16898 1 234 . 1 1 92 92 ARG CA C 13 56.533 0.032 . 1 . . . . 92 ARG CA . 16898 1 235 . 1 1 92 92 ARG N N 15 113.035 0.017 . 1 . . . . 92 ARG N . 16898 1 236 . 1 1 93 93 VAL H H 1 7.706 0.002 . 1 . . . . 93 VAL HN . 16898 1 237 . 1 1 93 93 VAL CA C 13 62.599 0.001 . 1 . . . . 93 VAL CA . 16898 1 238 . 1 1 93 93 VAL N N 15 119.163 0.020 . 1 . . . . 93 VAL N . 16898 1 239 . 1 1 94 94 ASP H H 1 7.328 0.001 . 1 . . . . 94 ASP HN . 16898 1 240 . 1 1 94 94 ASP CA C 13 52.801 0.000 . 1 . . . . 94 ASP CA . 16898 1 241 . 1 1 94 94 ASP N N 15 128.553 0.011 . 1 . . . . 94 ASP N . 16898 1 242 . 1 1 96 96 VAL H H 1 8.596 0.001 . 1 . . . . 96 VAL HN . 16898 1 243 . 1 1 96 96 VAL CA C 13 65.521 0.015 . 1 . . . . 96 VAL CA . 16898 1 244 . 1 1 96 96 VAL N N 15 122.934 0.009 . 1 . . . . 96 VAL N . 16898 1 245 . 1 1 97 97 ASN H H 1 7.885 0.005 . 1 . . . . 97 ASN HN . 16898 1 246 . 1 1 97 97 ASN CA C 13 56.355 0.062 . 1 . . . . 97 ASN CA . 16898 1 247 . 1 1 97 97 ASN N N 15 115.077 0.004 . 1 . . . . 97 ASN N . 16898 1 248 . 1 1 98 98 PHE H H 1 7.755 0.001 . 1 . . . . 98 PHE HN . 16898 1 249 . 1 1 98 98 PHE CA C 13 61.975 0.058 . 1 . . . . 98 PHE CA . 16898 1 250 . 1 1 98 98 PHE N N 15 118.848 0.026 . 1 . . . . 98 PHE N . 16898 1 251 . 1 1 99 99 LYS H H 1 7.510 0.005 . 1 . . . . 99 LYS HN . 16898 1 252 . 1 1 99 99 LYS CA C 13 59.629 0.014 . 1 . . . . 99 LYS CA . 16898 1 253 . 1 1 99 99 LYS N N 15 119.249 0.076 . 1 . . . . 99 LYS N . 16898 1 254 . 1 1 100 100 LEU H H 1 7.168 0.004 . 1 . . . . 100 LEU HN . 16898 1 255 . 1 1 100 100 LEU CA C 13 57.473 0.000 . 1 . . . . 100 LEU CA . 16898 1 256 . 1 1 100 100 LEU N N 15 118.621 0.021 . 1 . . . . 100 LEU N . 16898 1 257 . 1 1 102 102 SER H H 1 8.454 0.002 . 1 . . . . 102 SER HN . 16898 1 258 . 1 1 102 102 SER CA C 13 64.460 0.040 . 1 . . . . 102 SER CA . 16898 1 259 . 1 1 102 102 SER N N 15 115.727 0.022 . 1 . . . . 102 SER N . 16898 1 260 . 1 1 103 103 HIS H H 1 7.854 0.003 . 1 . . . . 103 HIS HN . 16898 1 261 . 1 1 103 103 HIS CA C 13 60.680 0.032 . 1 . . . . 103 HIS CA . 16898 1 262 . 1 1 103 103 HIS N N 15 120.124 0.007 . 1 . . . . 103 HIS N . 16898 1 263 . 1 1 104 104 CYS H H 1 7.995 0.006 . 1 . . . . 104 CYS HN . 16898 1 264 . 1 1 104 104 CYS CA C 13 64.672 0.035 . 1 . . . . 104 CYS CA . 16898 1 265 . 1 1 104 104 CYS N N 15 115.704 0.015 . 1 . . . . 104 CYS N . 16898 1 266 . 1 1 105 105 LEU H H 1 9.075 0.002 . 1 . . . . 105 LEU HN . 16898 1 267 . 1 1 105 105 LEU CA C 13 58.532 0.000 . 1 . . . . 105 LEU CA . 16898 1 268 . 1 1 105 105 LEU N N 15 124.491 0.013 . 1 . . . . 105 LEU N . 16898 1 269 . 1 1 106 106 LEU H H 1 8.564 0.001 . 1 . . . . 106 LEU HN . 16898 1 270 . 1 1 106 106 LEU CA C 13 58.623 0.037 . 1 . . . . 106 LEU CA . 16898 1 271 . 1 1 106 106 LEU N N 15 121.479 0.002 . 1 . . . . 106 LEU N . 16898 1 272 . 1 1 107 107 VAL H H 1 8.265 0.003 . 1 . . . . 107 VAL HN . 16898 1 273 . 1 1 107 107 VAL CA C 13 66.021 0.000 . 1 . . . . 107 VAL CA . 16898 1 274 . 1 1 107 107 VAL N N 15 116.973 0.030 . 1 . . . . 107 VAL N . 16898 1 275 . 1 1 108 108 THR H H 1 7.377 0.004 . 1 . . . . 108 THR HN . 16898 1 276 . 1 1 108 108 THR CA C 13 67.356 0.015 . 1 . . . . 108 THR CA . 16898 1 277 . 1 1 108 108 THR N N 15 116.394 0.052 . 1 . . . . 108 THR N . 16898 1 278 . 1 1 109 109 LEU H H 1 8.169 0.002 . 1 . . . . 109 LEU HN . 16898 1 279 . 1 1 109 109 LEU CA C 13 58.517 0.000 . 1 . . . . 109 LEU CA . 16898 1 280 . 1 1 109 109 LEU N N 15 120.861 0.043 . 1 . . . . 109 LEU N . 16898 1 281 . 1 1 112 112 HIS H H 1 7.098 0.000 . 1 . . . . 112 HIS HN . 16898 1 282 . 1 1 112 112 HIS CA C 13 57.147 0.049 . 1 . . . . 112 HIS CA . 16898 1 283 . 1 1 112 112 HIS N N 15 112.963 0.000 . 1 . . . . 112 HIS N . 16898 1 284 . 1 1 113 113 LEU H H 1 7.608 0.005 . 1 . . . . 113 LEU HN . 16898 1 285 . 1 1 113 113 LEU CA C 13 53.342 0.000 . 1 . . . . 113 LEU CA . 16898 1 286 . 1 1 113 113 LEU N N 15 121.022 0.035 . 1 . . . . 113 LEU N . 16898 1 287 . 1 1 114 114 PRO CA C 13 64.611 0.000 . 1 . . . . 114 PRO CA . 16898 1 288 . 1 1 115 115 ALA H H 1 8.353 0.003 . 1 . . . . 115 ALA HN . 16898 1 289 . 1 1 115 115 ALA CA C 13 53.876 0.053 . 1 . . . . 115 ALA CA . 16898 1 290 . 1 1 115 115 ALA N N 15 119.649 0.051 . 1 . . . . 115 ALA N . 16898 1 291 . 1 1 116 116 GLU H H 1 8.004 0.005 . 1 . . . . 116 GLU HN . 16898 1 292 . 1 1 116 116 GLU CA C 13 57.361 0.025 . 1 . . . . 116 GLU CA . 16898 1 293 . 1 1 116 116 GLU N N 15 114.960 0.047 . 1 . . . . 116 GLU N . 16898 1 294 . 1 1 117 117 PHE H H 1 8.166 0.004 . 1 . . . . 117 PHE HN . 16898 1 295 . 1 1 117 117 PHE CA C 13 58.711 0.066 . 1 . . . . 117 PHE CA . 16898 1 296 . 1 1 117 117 PHE N N 15 122.106 0.056 . 1 . . . . 117 PHE N . 16898 1 297 . 1 1 118 118 THR H H 1 7.642 0.003 . 1 . . . . 118 THR HN . 16898 1 298 . 1 1 118 118 THR CA C 13 61.105 0.000 . 1 . . . . 118 THR CA . 16898 1 299 . 1 1 118 118 THR N N 15 118.760 0.020 . 1 . . . . 118 THR N . 16898 1 300 . 1 1 120 120 ALA H H 1 7.833 0.000 . 1 . . . . 120 ALA HN . 16898 1 301 . 1 1 120 120 ALA CA C 13 55.190 0.069 . 1 . . . . 120 ALA CA . 16898 1 302 . 1 1 120 120 ALA N N 15 119.133 0.000 . 1 . . . . 120 ALA N . 16898 1 303 . 1 1 121 121 VAL H H 1 7.365 0.002 . 1 . . . . 121 VAL HN . 16898 1 304 . 1 1 121 121 VAL CA C 13 67.127 0.053 . 1 . . . . 121 VAL CA . 16898 1 305 . 1 1 121 121 VAL N N 15 121.550 0.022 . 1 . . . . 121 VAL N . 16898 1 306 . 1 1 122 122 HIS H H 1 8.588 0.004 . 1 . . . . 122 HIS HN . 16898 1 307 . 1 1 122 122 HIS CA C 13 61.421 0.016 . 1 . . . . 122 HIS CA . 16898 1 308 . 1 1 122 122 HIS N N 15 120.226 0.040 . 1 . . . . 122 HIS N . 16898 1 309 . 1 1 123 123 ALA H H 1 7.988 0.003 . 1 . . . . 123 ALA HN . 16898 1 310 . 1 1 123 123 ALA CA C 13 55.224 0.006 . 1 . . . . 123 ALA CA . 16898 1 311 . 1 1 123 123 ALA N N 15 119.715 0.003 . 1 . . . . 123 ALA N . 16898 1 312 . 1 1 124 124 SER H H 1 8.145 0.003 . 1 . . . . 124 SER HN . 16898 1 313 . 1 1 124 124 SER CA C 13 63.182 0.000 . 1 . . . . 124 SER CA . 16898 1 314 . 1 1 124 124 SER N N 15 117.208 0.018 . 1 . . . . 124 SER N . 16898 1 315 . 1 1 125 125 LEU H H 1 8.556 0.003 . 1 . . . . 125 LEU HN . 16898 1 316 . 1 1 125 125 LEU CA C 13 56.856 0.000 . 1 . . . . 125 LEU CA . 16898 1 317 . 1 1 125 125 LEU N N 15 123.927 0.021 . 1 . . . . 125 LEU N . 16898 1 318 . 1 1 127 127 LYS H H 1 7.650 0.000 . 1 . . . . 127 LYS HN . 16898 1 319 . 1 1 127 127 LYS CA C 13 59.886 0.031 . 1 . . . . 127 LYS CA . 16898 1 320 . 1 1 127 127 LYS N N 15 118.779 0.006 . 1 . . . . 127 LYS N . 16898 1 321 . 1 1 128 128 PHE H H 1 8.651 0.002 . 1 . . . . 128 PHE HN . 16898 1 322 . 1 1 128 128 PHE CA C 13 61.379 0.015 . 1 . . . . 128 PHE CA . 16898 1 323 . 1 1 128 128 PHE N N 15 121.621 0.016 . 1 . . . . 128 PHE N . 16898 1 324 . 1 1 129 129 LEU H H 1 9.330 0.004 . 1 . . . . 129 LEU HN . 16898 1 325 . 1 1 129 129 LEU CA C 13 57.974 0.056 . 1 . . . . 129 LEU CA . 16898 1 326 . 1 1 129 129 LEU N N 15 121.369 0.025 . 1 . . . . 129 LEU N . 16898 1 327 . 1 1 130 130 ALA H H 1 8.444 0.004 . 1 . . . . 130 ALA HN . 16898 1 328 . 1 1 130 130 ALA CA C 13 55.278 0.024 . 1 . . . . 130 ALA CA . 16898 1 329 . 1 1 130 130 ALA N N 15 125.313 0.009 . 1 . . . . 130 ALA N . 16898 1 330 . 1 1 131 131 SER H H 1 7.891 0.001 . 1 . . . . 131 SER HN . 16898 1 331 . 1 1 131 131 SER CA C 13 62.717 0.165 . 1 . . . . 131 SER CA . 16898 1 332 . 1 1 131 131 SER N N 15 117.780 0.022 . 1 . . . . 131 SER N . 16898 1 333 . 1 1 132 132 VAL H H 1 8.167 0.002 . 1 . . . . 132 VAL HN . 16898 1 334 . 1 1 132 132 VAL CA C 13 66.949 0.029 . 1 . . . . 132 VAL CA . 16898 1 335 . 1 1 132 132 VAL N N 15 123.292 0.048 . 1 . . . . 132 VAL N . 16898 1 336 . 1 1 133 133 SER H H 1 8.407 0.003 . 1 . . . . 133 SER HN . 16898 1 337 . 1 1 133 133 SER CA C 13 63.690 0.020 . 1 . . . . 133 SER CA . 16898 1 338 . 1 1 133 133 SER N N 15 115.179 0.034 . 1 . . . . 133 SER N . 16898 1 339 . 1 1 134 134 THR H H 1 8.253 0.005 . 1 . . . . 134 THR HN . 16898 1 340 . 1 1 134 134 THR CA C 13 67.095 0.000 . 1 . . . . 134 THR CA . 16898 1 341 . 1 1 134 134 THR N N 15 120.418 0.008 . 1 . . . . 134 THR N . 16898 1 342 . 1 1 141 141 ARG H H 1 7.584 0.000 . 1 . . . . 141 ARG HN . 16898 1 343 . 1 1 141 141 ARG CA C 13 57.190 0.000 . 1 . . . . 141 ARG CA . 16898 1 344 . 1 1 141 141 ARG N N 15 126.136 0.005 . 1 . . . . 141 ARG N . 16898 1 stop_ save_