################################### # 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_chemical_shifts_1_Rab1b-GDP _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1_Rab1b-GDP _Assigned_chem_shift_list.Entry_ID 50173 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Rab1b-GDP _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 $chem_shift_reference_1_DSS _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' . . . 50173 1 2 '3D 1H-15N NOESY' . . . 50173 1 3 '3D HNCACB' . . . 50173 1 4 '3D CBCA(CO)NH' . . . 50173 1 5 '3D HNCO' . . . 50173 1 6 '3D HN(CO)CA' . . . 50173 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 PRO C C 13 179.442 0.000 . 1 . . . . . 3 PRO C . 50173 1 2 . 1 . 1 2 2 PRO CA C 13 65.598 0.013 . 1 . . . . . 3 PRO CA . 50173 1 3 . 1 . 1 2 2 PRO CB C 13 34.601 0.000 . 1 . . . . . 3 PRO CB . 50173 1 4 . 1 . 1 3 3 GLU H H 1 8.529 0.018 . 1 . . . . . 4 GLU H . 50173 1 5 . 1 . 1 3 3 GLU C C 13 178.008 0.011 . 1 . . . . . 4 GLU C . 50173 1 6 . 1 . 1 3 3 GLU CA C 13 59.754 0.022 . 1 . . . . . 4 GLU CA . 50173 1 7 . 1 . 1 3 3 GLU CB C 13 32.894 0.045 . 1 . . . . . 4 GLU CB . 50173 1 8 . 1 . 1 3 3 GLU N N 15 122.191 0.095 . 1 . . . . . 4 GLU N . 50173 1 9 . 1 . 1 4 4 TYR H H 1 7.050 0.011 . 1 . . . . . 5 TYR H . 50173 1 10 . 1 . 1 4 4 TYR C C 13 176.299 0.042 . 1 . . . . . 5 TYR C . 50173 1 11 . 1 . 1 4 4 TYR CA C 13 58.294 0.007 . 1 . . . . . 5 TYR CA . 50173 1 12 . 1 . 1 4 4 TYR N N 15 114.972 0.075 . 1 . . . . . 5 TYR N . 50173 1 13 . 1 . 1 5 5 ASP H H 1 8.997 0.015 . 1 . . . . . 6 ASP H . 50173 1 14 . 1 . 1 5 5 ASP C C 13 178.106 0.018 . 1 . . . . . 6 ASP C . 50173 1 15 . 1 . 1 5 5 ASP CA C 13 59.382 0.041 . 1 . . . . . 6 ASP CA . 50173 1 16 . 1 . 1 5 5 ASP N N 15 120.505 0.113 . 1 . . . . . 6 ASP N . 50173 1 17 . 1 . 1 6 6 TYR H H 1 7.733 0.012 . 1 . . . . . 7 TYR H . 50173 1 18 . 1 . 1 6 6 TYR C C 13 175.291 0.031 . 1 . . . . . 7 TYR C . 50173 1 19 . 1 . 1 6 6 TYR CA C 13 59.078 0.037 . 1 . . . . . 7 TYR CA . 50173 1 20 . 1 . 1 6 6 TYR CB C 13 46.469 0.000 . 1 . . . . . 7 TYR CB . 50173 1 21 . 1 . 1 6 6 TYR N N 15 116.075 0.094 . 1 . . . . . 7 TYR N . 50173 1 22 . 1 . 1 7 7 LEU H H 1 8.362 0.020 . 1 . . . . . 8 LEU H . 50173 1 23 . 1 . 1 7 7 LEU C C 13 178.452 0.018 . 1 . . . . . 8 LEU C . 50173 1 24 . 1 . 1 7 7 LEU CA C 13 56.652 0.009 . 1 . . . . . 8 LEU CA . 50173 1 25 . 1 . 1 7 7 LEU N N 15 126.215 0.094 . 1 . . . . . 8 LEU N . 50173 1 26 . 1 . 1 8 8 PHE H H 1 8.687 0.014 . 1 . . . . . 9 PHE H . 50173 1 27 . 1 . 1 8 8 PHE C C 13 176.730 0.046 . 1 . . . . . 9 PHE C . 50173 1 28 . 1 . 1 8 8 PHE CA C 13 53.705 0.027 . 1 . . . . . 9 PHE CA . 50173 1 29 . 1 . 1 8 8 PHE N N 15 125.121 0.124 . 1 . . . . . 9 PHE N . 50173 1 30 . 1 . 1 9 9 LYS H H 1 11.662 0.021 . 1 . . . . . 10 LYS H . 50173 1 31 . 1 . 1 9 9 LYS N N 15 129.687 0.203 . 1 . . . . . 10 LYS N . 50173 1 32 . 1 . 1 14 14 GLY C C 13 175.357 0.000 . 1 . . . . . 15 GLY C . 50173 1 33 . 1 . 1 14 14 GLY CA C 13 75.392 0.000 . 1 . . . . . 15 GLY CA . 50173 1 34 . 1 . 1 15 15 ASP H H 1 9.066 0.023 . 1 . . . . . 16 ASP H . 50173 1 35 . 1 . 1 15 15 ASP C C 13 179.580 0.012 . 1 . . . . . 16 ASP C . 50173 1 36 . 1 . 1 15 15 ASP CA C 13 58.508 0.015 . 1 . . . . . 16 ASP CA . 50173 1 37 . 1 . 1 15 15 ASP CB C 13 43.264 0.000 . 1 . . . . . 16 ASP CB . 50173 1 38 . 1 . 1 15 15 ASP N N 15 123.929 0.126 . 1 . . . . . 16 ASP N . 50173 1 39 . 1 . 1 16 16 SER H H 1 8.826 0.017 . 1 . . . . . 17 SER H . 50173 1 40 . 1 . 1 16 16 SER C C 13 178.796 0.000 . 1 . . . . . 17 SER C . 50173 1 41 . 1 . 1 16 16 SER CA C 13 62.950 0.017 . 1 . . . . . 17 SER CA . 50173 1 42 . 1 . 1 16 16 SER CB C 13 66.196 0.000 . 1 . . . . . 17 SER CB . 50173 1 43 . 1 . 1 16 16 SER N N 15 116.656 0.129 . 1 . . . . . 17 SER N . 50173 1 44 . 1 . 1 17 17 GLY H H 1 11.203 0.010 . 1 . . . . . 18 GLY H . 50173 1 45 . 1 . 1 17 17 GLY C C 13 177.205 0.000 . 1 . . . . . 18 GLY C . 50173 1 46 . 1 . 1 17 17 GLY CA C 13 48.475 0.030 . 1 . . . . . 18 GLY CA . 50173 1 47 . 1 . 1 17 17 GLY N N 15 117.740 0.061 . 1 . . . . . 18 GLY N . 50173 1 48 . 1 . 1 18 18 VAL H H 1 7.579 0.012 . 1 . . . . . 19 VAL H . 50173 1 49 . 1 . 1 18 18 VAL C C 13 177.010 0.010 . 1 . . . . . 19 VAL C . 50173 1 50 . 1 . 1 18 18 VAL CA C 13 65.733 0.003 . 1 . . . . . 19 VAL CA . 50173 1 51 . 1 . 1 18 18 VAL CB C 13 34.359 0.000 . 1 . . . . . 19 VAL CB . 50173 1 52 . 1 . 1 18 18 VAL N N 15 113.680 0.099 . 1 . . . . . 19 VAL N . 50173 1 53 . 1 . 1 19 19 GLY H H 1 8.428 0.023 . 1 . . . . . 20 GLY H . 50173 1 54 . 1 . 1 19 19 GLY C C 13 177.075 0.009 . 1 . . . . . 20 GLY C . 50173 1 55 . 1 . 1 19 19 GLY CA C 13 48.703 0.003 . 1 . . . . . 20 GLY CA . 50173 1 56 . 1 . 1 19 19 GLY N N 15 110.143 0.166 . 1 . . . . . 20 GLY N . 50173 1 57 . 1 . 1 20 20 LYS H H 1 10.464 0.017 . 1 . . . . . 21 LYS H . 50173 1 58 . 1 . 1 20 20 LYS CA C 13 63.671 0.016 . 1 . . . . . 21 LYS CA . 50173 1 59 . 1 . 1 20 20 LYS N N 15 125.137 0.083 . 1 . . . . . 21 LYS N . 50173 1 60 . 1 . 1 21 21 SER H H 1 9.369 0.043 . 1 . . . . . 22 SER H . 50173 1 61 . 1 . 1 21 21 SER C C 13 179.321 0.000 . 1 . . . . . 22 SER C . 50173 1 62 . 1 . 1 21 21 SER CA C 13 65.389 0.035 . 1 . . . . . 22 SER CA . 50173 1 63 . 1 . 1 21 21 SER N N 15 119.602 0.286 . 1 . . . . . 22 SER N . 50173 1 64 . 1 . 1 22 22 CYS H H 1 9.663 0.032 . 1 . . . . . 23 CYS H . 50173 1 65 . 1 . 1 22 22 CYS C C 13 181.770 0.000 . 1 . . . . . 23 CYS C . 50173 1 66 . 1 . 1 22 22 CYS CA C 13 67.249 0.007 . 1 . . . . . 23 CYS CA . 50173 1 67 . 1 . 1 22 22 CYS N N 15 122.151 0.186 . 1 . . . . . 23 CYS N . 50173 1 68 . 1 . 1 23 23 LEU H H 1 9.328 0.016 . 1 . . . . . 24 LEU H . 50173 1 69 . 1 . 1 23 23 LEU C C 13 180.553 0.026 . 1 . . . . . 24 LEU C . 50173 1 70 . 1 . 1 23 23 LEU CA C 13 62.062 0.049 . 1 . . . . . 24 LEU CA . 50173 1 71 . 1 . 1 23 23 LEU N N 15 127.181 0.130 . 1 . . . . . 24 LEU N . 50173 1 72 . 1 . 1 24 24 LEU H H 1 7.995 0.008 . 1 . . . . . 25 LEU H . 50173 1 73 . 1 . 1 24 24 LEU C C 13 181.024 0.000 . 1 . . . . . 25 LEU C . 50173 1 74 . 1 . 1 24 24 LEU CA C 13 61.533 0.024 . 1 . . . . . 25 LEU CA . 50173 1 75 . 1 . 1 24 24 LEU CB C 13 43.264 0.000 . 1 . . . . . 25 LEU CB . 50173 1 76 . 1 . 1 24 24 LEU N N 15 120.574 0.113 . 1 . . . . . 25 LEU N . 50173 1 77 . 1 . 1 25 25 LEU H H 1 8.821 0.029 . 1 . . . . . 26 LEU H . 50173 1 78 . 1 . 1 25 25 LEU C C 13 182.829 0.000 . 1 . . . . . 26 LEU C . 50173 1 79 . 1 . 1 25 25 LEU CA C 13 60.954 0.028 . 1 . . . . . 26 LEU CA . 50173 1 80 . 1 . 1 25 25 LEU N N 15 120.265 0.109 . 1 . . . . . 26 LEU N . 50173 1 81 . 1 . 1 26 26 ARG H H 1 8.514 0.038 . 1 . . . . . 27 ARG H . 50173 1 82 . 1 . 1 26 26 ARG C C 13 180.681 0.038 . 1 . . . . . 27 ARG C . 50173 1 83 . 1 . 1 26 26 ARG CA C 13 60.320 0.043 . 1 . . . . . 27 ARG CA . 50173 1 84 . 1 . 1 26 26 ARG N N 15 120.152 0.145 . 1 . . . . . 27 ARG N . 50173 1 85 . 1 . 1 27 27 PHE H H 1 8.223 0.013 . 1 . . . . . 28 PHE H . 50173 1 86 . 1 . 1 27 27 PHE C C 13 178.964 0.034 . 1 . . . . . 28 PHE C . 50173 1 87 . 1 . 1 27 27 PHE CA C 13 62.778 0.052 . 1 . . . . . 28 PHE CA . 50173 1 88 . 1 . 1 27 27 PHE N N 15 120.239 0.131 . 1 . . . . . 28 PHE N . 50173 1 89 . 1 . 1 28 28 ALA H H 1 9.132 0.014 . 1 . . . . . 29 ALA H . 50173 1 90 . 1 . 1 28 28 ALA C C 13 180.341 0.026 . 1 . . . . . 29 ALA C . 50173 1 91 . 1 . 1 28 28 ALA CA C 13 57.462 0.026 . 1 . . . . . 29 ALA CA . 50173 1 92 . 1 . 1 28 28 ALA CB C 13 21.649 0.041 . 1 . . . . . 29 ALA CB . 50173 1 93 . 1 . 1 28 28 ALA N N 15 118.897 0.089 . 1 . . . . . 29 ALA N . 50173 1 94 . 1 . 1 29 29 ASP H H 1 7.743 0.020 . 1 . . . . . 30 ASP H . 50173 1 95 . 1 . 1 29 29 ASP C C 13 178.512 0.020 . 1 . . . . . 30 ASP C . 50173 1 96 . 1 . 1 29 29 ASP CA C 13 56.584 0.026 . 1 . . . . . 30 ASP CA . 50173 1 97 . 1 . 1 29 29 ASP CB C 13 45.361 0.034 . 1 . . . . . 30 ASP CB . 50173 1 98 . 1 . 1 29 29 ASP N N 15 115.180 0.099 . 1 . . . . . 30 ASP N . 50173 1 99 . 1 . 1 30 30 ASP H H 1 7.770 0.016 . 1 . . . . . 31 ASP H . 50173 1 100 . 1 . 1 30 30 ASP C C 13 177.276 0.033 . 1 . . . . . 31 ASP C . 50173 1 101 . 1 . 1 30 30 ASP CA C 13 57.857 0.034 . 1 . . . . . 31 ASP CA . 50173 1 102 . 1 . 1 30 30 ASP CB C 13 42.538 0.000 . 1 . . . . . 31 ASP CB . 50173 1 103 . 1 . 1 30 30 ASP N N 15 121.856 0.051 . 1 . . . . . 31 ASP N . 50173 1 104 . 1 . 1 31 31 THR H H 1 7.062 0.014 . 1 . . . . . 32 THR H . 50173 1 105 . 1 . 1 31 31 THR C C 13 175.615 0.011 . 1 . . . . . 32 THR C . 50173 1 106 . 1 . 1 31 31 THR CA C 13 62.203 0.073 . 1 . . . . . 32 THR CA . 50173 1 107 . 1 . 1 31 31 THR CB C 13 74.495 0.013 . 1 . . . . . 32 THR CB . 50173 1 108 . 1 . 1 31 31 THR N N 15 107.829 0.041 . 1 . . . . . 32 THR N . 50173 1 109 . 1 . 1 32 32 TYR H H 1 8.104 0.020 . 1 . . . . . 33 TYR H . 50173 1 110 . 1 . 1 32 32 TYR C C 13 175.996 0.007 . 1 . . . . . 33 TYR C . 50173 1 111 . 1 . 1 32 32 TYR CA C 13 61.512 0.037 . 1 . . . . . 33 TYR CA . 50173 1 112 . 1 . 1 32 32 TYR CB C 13 44.341 0.034 . 1 . . . . . 33 TYR CB . 50173 1 113 . 1 . 1 32 32 TYR N N 15 120.149 0.205 . 1 . . . . . 33 TYR N . 50173 1 114 . 1 . 1 33 33 THR H H 1 7.495 0.021 . 1 . . . . . 34 THR H . 50173 1 115 . 1 . 1 33 33 THR C C 13 173.616 0.000 . 1 . . . . . 34 THR C . 50173 1 116 . 1 . 1 33 33 THR CA C 13 61.613 0.027 . 1 . . . . . 34 THR CA . 50173 1 117 . 1 . 1 33 33 THR CB C 13 72.822 0.033 . 1 . . . . . 34 THR CB . 50173 1 118 . 1 . 1 33 33 THR N N 15 124.091 0.081 . 1 . . . . . 34 THR N . 50173 1 119 . 1 . 1 34 34 GLU H H 1 8.286 0.015 . 1 . . . . . 35 GLU H . 50173 1 120 . 1 . 1 34 34 GLU C C 13 179.745 0.010 . 1 . . . . . 35 GLU C . 50173 1 121 . 1 . 1 34 34 GLU CA C 13 58.985 0.024 . 1 . . . . . 35 GLU CA . 50173 1 122 . 1 . 1 34 34 GLU CB C 13 32.087 0.075 . 1 . . . . . 35 GLU CB . 50173 1 123 . 1 . 1 34 34 GLU N N 15 124.017 0.094 . 1 . . . . . 35 GLU N . 50173 1 124 . 1 . 1 35 35 SER H H 1 7.984 0.021 . 1 . . . . . 36 SER H . 50173 1 125 . 1 . 1 35 35 SER C C 13 175.726 0.000 . 1 . . . . . 36 SER C . 50173 1 126 . 1 . 1 35 35 SER CA C 13 61.238 0.089 . 1 . . . . . 36 SER CA . 50173 1 127 . 1 . 1 35 35 SER CB C 13 66.399 0.027 . 1 . . . . . 36 SER CB . 50173 1 128 . 1 . 1 35 35 SER N N 15 118.507 0.133 . 1 . . . . . 36 SER N . 50173 1 129 . 1 . 1 36 36 TYR H H 1 8.352 0.026 . 1 . . . . . 37 TYR H . 50173 1 130 . 1 . 1 36 36 TYR C C 13 178.363 0.003 . 1 . . . . . 37 TYR C . 50173 1 131 . 1 . 1 36 36 TYR CA C 13 61.462 0.025 . 1 . . . . . 37 TYR CA . 50173 1 132 . 1 . 1 36 36 TYR CB C 13 40.985 0.000 . 1 . . . . . 37 TYR CB . 50173 1 133 . 1 . 1 36 36 TYR N N 15 124.726 0.151 . 1 . . . . . 37 TYR N . 50173 1 134 . 1 . 1 37 37 ILE H H 1 8.594 0.021 . 1 . . . . . 38 ILE H . 50173 1 135 . 1 . 1 37 37 ILE CA C 13 62.742 0.000 . 1 . . . . . 38 ILE CA . 50173 1 136 . 1 . 1 37 37 ILE CB C 13 41.424 0.000 . 1 . . . . . 38 ILE CB . 50173 1 137 . 1 . 1 37 37 ILE N N 15 131.273 0.193 . 1 . . . . . 38 ILE N . 50173 1 138 . 1 . 1 40 40 ILE C C 13 179.534 0.000 . 1 . . . . . 41 ILE C . 50173 1 139 . 1 . 1 40 40 ILE CA C 13 64.869 0.000 . 1 . . . . . 41 ILE CA . 50173 1 140 . 1 . 1 41 41 GLY H H 1 8.564 0.022 . 1 . . . . . 42 GLY H . 50173 1 141 . 1 . 1 41 41 GLY C C 13 175.427 0.006 . 1 . . . . . 42 GLY C . 50173 1 142 . 1 . 1 41 41 GLY CA C 13 48.392 0.015 . 1 . . . . . 42 GLY CA . 50173 1 143 . 1 . 1 41 41 GLY N N 15 112.944 0.084 . 1 . . . . . 42 GLY N . 50173 1 144 . 1 . 1 42 42 VAL H H 1 7.233 0.007 . 1 . . . . . 43 VAL H . 50173 1 145 . 1 . 1 42 42 VAL C C 13 177.809 0.000 . 1 . . . . . 43 VAL C . 50173 1 146 . 1 . 1 42 42 VAL CA C 13 62.359 0.075 . 1 . . . . . 43 VAL CA . 50173 1 147 . 1 . 1 42 42 VAL N N 15 115.057 0.080 . 1 . . . . . 43 VAL N . 50173 1 148 . 1 . 1 43 43 ASP H H 1 8.409 0.025 . 1 . . . . . 44 ASP H . 50173 1 149 . 1 . 1 43 43 ASP C C 13 177.138 0.000 . 1 . . . . . 44 ASP C . 50173 1 150 . 1 . 1 43 43 ASP CA C 13 59.009 0.025 . 1 . . . . . 44 ASP CA . 50173 1 151 . 1 . 1 43 43 ASP N N 15 122.423 0.064 . 1 . . . . . 44 ASP N . 50173 1 152 . 1 . 1 44 44 PHE H H 1 6.566 0.010 . 1 . . . . . 45 PHE H . 50173 1 153 . 1 . 1 44 44 PHE C C 13 176.418 0.000 . 1 . . . . . 45 PHE C . 50173 1 154 . 1 . 1 44 44 PHE CA C 13 56.949 0.013 . 1 . . . . . 45 PHE CA . 50173 1 155 . 1 . 1 44 44 PHE N N 15 110.844 0.032 . 1 . . . . . 45 PHE N . 50173 1 156 . 1 . 1 45 45 LYS H H 1 8.481 0.008 . 1 . . . . . 46 LYS H . 50173 1 157 . 1 . 1 45 45 LYS C C 13 177.226 0.028 . 1 . . . . . 46 LYS C . 50173 1 158 . 1 . 1 45 45 LYS CA C 13 56.409 0.023 . 1 . . . . . 46 LYS CA . 50173 1 159 . 1 . 1 45 45 LYS N N 15 117.752 0.089 . 1 . . . . . 46 LYS N . 50173 1 160 . 1 . 1 46 46 ILE H H 1 8.559 0.019 . 1 . . . . . 47 ILE H . 50173 1 161 . 1 . 1 46 46 ILE C C 13 178.754 0.029 . 1 . . . . . 47 ILE C . 50173 1 162 . 1 . 1 46 46 ILE CA C 13 61.190 0.046 . 1 . . . . . 47 ILE CA . 50173 1 163 . 1 . 1 46 46 ILE CB C 13 43.474 0.000 . 1 . . . . . 47 ILE CB . 50173 1 164 . 1 . 1 46 46 ILE N N 15 120.139 0.135 . 1 . . . . . 47 ILE N . 50173 1 165 . 1 . 1 47 47 ARG H H 1 8.482 0.016 . 1 . . . . . 48 ARG H . 50173 1 166 . 1 . 1 47 47 ARG C C 13 176.695 0.013 . 1 . . . . . 48 ARG C . 50173 1 167 . 1 . 1 47 47 ARG CA C 13 58.249 0.013 . 1 . . . . . 48 ARG CA . 50173 1 168 . 1 . 1 47 47 ARG CB C 13 36.693 0.000 . 1 . . . . . 48 ARG CB . 50173 1 169 . 1 . 1 47 47 ARG N N 15 126.228 0.199 . 1 . . . . . 48 ARG N . 50173 1 170 . 1 . 1 48 48 THR H H 1 8.768 0.022 . 1 . . . . . 49 THR H . 50173 1 171 . 1 . 1 48 48 THR C C 13 176.886 0.050 . 1 . . . . . 49 THR C . 50173 1 172 . 1 . 1 48 48 THR CA C 13 64.588 0.048 . 1 . . . . . 49 THR CA . 50173 1 173 . 1 . 1 48 48 THR CB C 13 72.266 0.000 . 1 . . . . . 49 THR CB . 50173 1 174 . 1 . 1 48 48 THR N N 15 124.409 0.111 . 1 . . . . . 49 THR N . 50173 1 175 . 1 . 1 49 49 ILE H H 1 9.247 0.013 . 1 . . . . . 50 ILE H . 50173 1 176 . 1 . 1 49 49 ILE C C 13 175.970 0.024 . 1 . . . . . 50 ILE C . 50173 1 177 . 1 . 1 49 49 ILE CA C 13 61.810 0.015 . 1 . . . . . 50 ILE CA . 50173 1 178 . 1 . 1 49 49 ILE CB C 13 44.937 0.000 . 1 . . . . . 50 ILE CB . 50173 1 179 . 1 . 1 49 49 ILE N N 15 122.283 0.072 . 1 . . . . . 50 ILE N . 50173 1 180 . 1 . 1 50 50 GLU H H 1 8.338 0.017 . 1 . . . . . 51 GLU H . 50173 1 181 . 1 . 1 50 50 GLU C C 13 178.269 0.014 . 1 . . . . . 51 GLU C . 50173 1 182 . 1 . 1 50 50 GLU CA C 13 57.259 0.021 . 1 . . . . . 51 GLU CA . 50173 1 183 . 1 . 1 50 50 GLU CB C 13 34.747 0.000 . 1 . . . . . 51 GLU CB . 50173 1 184 . 1 . 1 50 50 GLU N N 15 122.390 0.183 . 1 . . . . . 51 GLU N . 50173 1 185 . 1 . 1 51 51 LEU H H 1 8.763 0.010 . 1 . . . . . 52 LEU H . 50173 1 186 . 1 . 1 51 51 LEU C C 13 178.671 0.000 . 1 . . . . . 52 LEU C . 50173 1 187 . 1 . 1 51 51 LEU CA C 13 56.871 0.028 . 1 . . . . . 52 LEU CA . 50173 1 188 . 1 . 1 51 51 LEU CB C 13 48.710 0.000 . 1 . . . . . 52 LEU CB . 50173 1 189 . 1 . 1 51 51 LEU N N 15 125.819 0.124 . 1 . . . . . 52 LEU N . 50173 1 190 . 1 . 1 52 52 ASP H H 1 9.424 0.021 . 1 . . . . . 53 ASP H . 50173 1 191 . 1 . 1 52 52 ASP C C 13 178.635 0.019 . 1 . . . . . 53 ASP C . 50173 1 192 . 1 . 1 52 52 ASP CA C 13 57.804 0.056 . 1 . . . . . 53 ASP CA . 50173 1 193 . 1 . 1 52 52 ASP CB C 13 42.536 0.000 . 1 . . . . . 53 ASP CB . 50173 1 194 . 1 . 1 52 52 ASP N N 15 125.799 0.102 . 1 . . . . . 53 ASP N . 50173 1 195 . 1 . 1 53 53 GLY H H 1 8.907 0.018 . 1 . . . . . 54 GLY H . 50173 1 196 . 1 . 1 53 53 GLY C C 13 176.600 0.027 . 1 . . . . . 54 GLY C . 50173 1 197 . 1 . 1 53 53 GLY CA C 13 48.079 0.034 . 1 . . . . . 54 GLY CA . 50173 1 198 . 1 . 1 53 53 GLY N N 15 125.600 7.613 . 1 . . . . . 54 GLY N . 50173 1 199 . 1 . 1 54 54 LYS H H 1 8.070 0.011 . 1 . . . . . 55 LYS H . 50173 1 200 . 1 . 1 54 54 LYS C C 13 178.085 0.028 . 1 . . . . . 55 LYS C . 50173 1 201 . 1 . 1 54 54 LYS CA C 13 55.353 0.008 . 1 . . . . . 55 LYS CA . 50173 1 202 . 1 . 1 54 54 LYS CB C 13 36.297 0.000 . 1 . . . . . 55 LYS CB . 50173 1 203 . 1 . 1 54 54 LYS N N 15 121.185 0.063 . 1 . . . . . 55 LYS N . 50173 1 204 . 1 . 1 55 55 THR H H 1 9.907 0.014 . 1 . . . . . 56 THR H . 50173 1 205 . 1 . 1 55 55 THR C C 13 177.322 0.000 . 1 . . . . . 56 THR C . 50173 1 206 . 1 . 1 55 55 THR CA C 13 65.609 0.010 . 1 . . . . . 56 THR CA . 50173 1 207 . 1 . 1 55 55 THR CB C 13 72.369 0.000 . 1 . . . . . 56 THR CB . 50173 1 208 . 1 . 1 55 55 THR N N 15 120.795 0.109 . 1 . . . . . 56 THR N . 50173 1 209 . 1 . 1 56 56 ILE H H 1 9.448 0.011 . 1 . . . . . 57 ILE H . 50173 1 210 . 1 . 1 56 56 ILE C C 13 176.350 0.036 . 1 . . . . . 57 ILE C . 50173 1 211 . 1 . 1 56 56 ILE CA C 13 62.295 0.041 . 1 . . . . . 57 ILE CA . 50173 1 212 . 1 . 1 56 56 ILE N N 15 130.946 0.095 . 1 . . . . . 57 ILE N . 50173 1 213 . 1 . 1 57 57 LYS H H 1 8.843 0.010 . 1 . . . . . 58 LYS H . 50173 1 214 . 1 . 1 57 57 LYS C C 13 176.372 0.023 . 1 . . . . . 58 LYS C . 50173 1 215 . 1 . 1 57 57 LYS CA C 13 58.439 0.029 . 1 . . . . . 58 LYS CA . 50173 1 216 . 1 . 1 57 57 LYS N N 15 130.220 0.077 . 1 . . . . . 58 LYS N . 50173 1 217 . 1 . 1 58 58 LEU H H 1 8.766 0.016 . 1 . . . . . 59 LEU H . 50173 1 218 . 1 . 1 58 58 LEU C C 13 177.145 0.019 . 1 . . . . . 59 LEU C . 50173 1 219 . 1 . 1 58 58 LEU CA C 13 55.554 0.002 . 1 . . . . . 59 LEU CA . 50173 1 220 . 1 . 1 58 58 LEU N N 15 126.728 0.083 . 1 . . . . . 59 LEU N . 50173 1 221 . 1 . 1 59 59 GLN H H 1 8.976 0.025 . 1 . . . . . 60 GLN H . 50173 1 222 . 1 . 1 59 59 GLN C C 13 177.042 0.016 . 1 . . . . . 60 GLN C . 50173 1 223 . 1 . 1 59 59 GLN CA C 13 57.264 0.016 . 1 . . . . . 60 GLN CA . 50173 1 224 . 1 . 1 59 59 GLN CB C 13 33.623 0.000 . 1 . . . . . 60 GLN CB . 50173 1 225 . 1 . 1 59 59 GLN N N 15 125.849 0.107 . 1 . . . . . 60 GLN N . 50173 1 226 . 1 . 1 60 60 ILE H H 1 9.203 0.018 . 1 . . . . . 61 ILE H . 50173 1 227 . 1 . 1 60 60 ILE C C 13 177.132 0.000 . 1 . . . . . 61 ILE C . 50173 1 228 . 1 . 1 60 60 ILE CA C 13 63.894 0.000 . 1 . . . . . 61 ILE CA . 50173 1 229 . 1 . 1 60 60 ILE N N 15 128.087 0.100 . 1 . . . . . 61 ILE N . 50173 1 230 . 1 . 1 61 61 TRP H H 1 9.582 0.015 . 1 . . . . . 62 TRP H . 50173 1 231 . 1 . 1 61 61 TRP HE1 H 1 10.038 0.021 . 1 . . . . . 62 TRP HE1 . 50173 1 232 . 1 . 1 61 61 TRP N N 15 128.612 0.163 . 1 . . . . . 62 TRP N . 50173 1 233 . 1 . 1 61 61 TRP NE1 N 15 130.596 0.129 . 1 . . . . . 62 TRP NE1 . 50173 1 234 . 1 . 1 62 62 ASP H H 1 8.105 0.017 . 1 . . . . . 63 ASP H . 50173 1 235 . 1 . 1 62 62 ASP N N 15 120.154 0.230 . 1 . . . . . 63 ASP N . 50173 1 236 . 1 . 1 79 79 GLY C C 13 176.450 0.000 . 1 . . . . . 80 GLY C . 50173 1 237 . 1 . 1 79 79 GLY CA C 13 47.661 0.000 . 1 . . . . . 80 GLY CA . 50173 1 238 . 1 . 1 80 80 ALA H H 1 7.124 0.013 . 1 . . . . . 81 ALA H . 50173 1 239 . 1 . 1 80 80 ALA C C 13 179.862 0.006 . 1 . . . . . 81 ALA C . 50173 1 240 . 1 . 1 80 80 ALA CA C 13 55.304 0.008 . 1 . . . . . 81 ALA CA . 50173 1 241 . 1 . 1 80 80 ALA CB C 13 20.725 0.000 . 1 . . . . . 81 ALA CB . 50173 1 242 . 1 . 1 80 80 ALA N N 15 121.426 0.098 . 1 . . . . . 81 ALA N . 50173 1 243 . 1 . 1 81 81 HIS H H 1 9.700 0.019 . 1 . . . . . 82 HIS H . 50173 1 244 . 1 . 1 81 81 HIS C C 13 178.543 0.017 . 1 . . . . . 82 HIS C . 50173 1 245 . 1 . 1 81 81 HIS CA C 13 62.444 0.058 . 1 . . . . . 82 HIS CA . 50173 1 246 . 1 . 1 81 81 HIS N N 15 123.327 0.093 . 1 . . . . . 82 HIS N . 50173 1 247 . 1 . 1 82 82 GLY H H 1 7.704 0.014 . 1 . . . . . 83 GLY H . 50173 1 248 . 1 . 1 82 82 GLY C C 13 173.930 0.000 . 1 . . . . . 83 GLY C . 50173 1 249 . 1 . 1 82 82 GLY CA C 13 48.031 0.019 . 1 . . . . . 83 GLY CA . 50173 1 250 . 1 . 1 82 82 GLY N N 15 104.393 0.022 . 1 . . . . . 83 GLY N . 50173 1 251 . 1 . 1 83 83 ILE H H 1 8.910 0.010 . 1 . . . . . 84 ILE H . 50173 1 252 . 1 . 1 83 83 ILE C C 13 175.885 0.012 . 1 . . . . . 84 ILE C . 50173 1 253 . 1 . 1 83 83 ILE CA C 13 62.976 0.022 . 1 . . . . . 84 ILE CA . 50173 1 254 . 1 . 1 83 83 ILE N N 15 124.253 0.053 . 1 . . . . . 84 ILE N . 50173 1 255 . 1 . 1 84 84 ILE H H 1 8.910 0.011 . 1 . . . . . 85 ILE H . 50173 1 256 . 1 . 1 84 84 ILE C C 13 176.675 0.001 . 1 . . . . . 85 ILE C . 50173 1 257 . 1 . 1 84 84 ILE CA C 13 63.230 0.028 . 1 . . . . . 85 ILE CA . 50173 1 258 . 1 . 1 84 84 ILE N N 15 129.123 0.154 . 1 . . . . . 85 ILE N . 50173 1 259 . 1 . 1 85 85 VAL H H 1 9.117 0.022 . 1 . . . . . 86 VAL H . 50173 1 260 . 1 . 1 85 85 VAL C C 13 176.529 0.040 . 1 . . . . . 86 VAL C . 50173 1 261 . 1 . 1 85 85 VAL CA C 13 63.716 0.026 . 1 . . . . . 86 VAL CA . 50173 1 262 . 1 . 1 85 85 VAL N N 15 130.540 0.179 . 1 . . . . . 86 VAL N . 50173 1 263 . 1 . 1 86 86 VAL H H 1 8.869 0.019 . 1 . . . . . 87 VAL H . 50173 1 264 . 1 . 1 86 86 VAL C C 13 178.019 0.004 . 1 . . . . . 87 VAL C . 50173 1 265 . 1 . 1 86 86 VAL CA C 13 62.879 0.018 . 1 . . . . . 87 VAL CA . 50173 1 266 . 1 . 1 86 86 VAL N N 15 128.351 0.116 . 1 . . . . . 87 VAL N . 50173 1 267 . 1 . 1 87 87 TYR H H 1 9.125 0.009 . 1 . . . . . 88 TYR H . 50173 1 268 . 1 . 1 87 87 TYR C C 13 173.191 0.000 . 1 . . . . . 88 TYR C . 50173 1 269 . 1 . 1 87 87 TYR CA C 13 58.195 0.019 . 1 . . . . . 88 TYR CA . 50173 1 270 . 1 . 1 87 87 TYR CB C 13 42.651 0.000 . 1 . . . . . 88 TYR CB . 50173 1 271 . 1 . 1 87 87 TYR N N 15 123.514 0.111 . 1 . . . . . 88 TYR N . 50173 1 272 . 1 . 1 88 88 ASP H H 1 8.886 0.013 . 1 . . . . . 89 ASP H . 50173 1 273 . 1 . 1 88 88 ASP C C 13 180.593 0.021 . 1 . . . . . 89 ASP C . 50173 1 274 . 1 . 1 88 88 ASP CA C 13 53.911 0.039 . 1 . . . . . 89 ASP CA . 50173 1 275 . 1 . 1 88 88 ASP N N 15 122.790 0.125 . 1 . . . . . 89 ASP N . 50173 1 276 . 1 . 1 89 89 VAL H H 1 8.752 0.011 . 1 . . . . . 90 VAL H . 50173 1 277 . 1 . 1 89 89 VAL C C 13 178.960 0.015 . 1 . . . . . 90 VAL C . 50173 1 278 . 1 . 1 89 89 VAL CA C 13 66.819 0.010 . 1 . . . . . 90 VAL CA . 50173 1 279 . 1 . 1 89 89 VAL CB C 13 33.564 0.000 . 1 . . . . . 90 VAL CB . 50173 1 280 . 1 . 1 89 89 VAL N N 15 119.728 0.112 . 1 . . . . . 90 VAL N . 50173 1 281 . 1 . 1 90 90 THR H H 1 9.497 0.019 . 1 . . . . . 91 THR H . 50173 1 282 . 1 . 1 90 90 THR C C 13 176.031 0.008 . 1 . . . . . 91 THR C . 50173 1 283 . 1 . 1 90 90 THR CA C 13 64.535 0.010 . 1 . . . . . 91 THR CA . 50173 1 284 . 1 . 1 90 90 THR CB C 13 72.806 0.000 . 1 . . . . . 91 THR CB . 50173 1 285 . 1 . 1 90 90 THR N N 15 114.294 0.082 . 1 . . . . . 91 THR N . 50173 1 286 . 1 . 1 91 91 ASP H H 1 8.316 0.008 . 1 . . . . . 92 ASP H . 50173 1 287 . 1 . 1 91 91 ASP C C 13 178.375 0.010 . 1 . . . . . 92 ASP C . 50173 1 288 . 1 . 1 91 91 ASP CA C 13 55.115 0.016 . 1 . . . . . 92 ASP CA . 50173 1 289 . 1 . 1 91 91 ASP CB C 13 45.657 0.000 . 1 . . . . . 92 ASP CB . 50173 1 290 . 1 . 1 91 91 ASP N N 15 125.266 0.128 . 1 . . . . . 92 ASP N . 50173 1 291 . 1 . 1 92 92 GLN H H 1 9.199 0.019 . 1 . . . . . 93 GLN H . 50173 1 292 . 1 . 1 92 92 GLN C C 13 180.713 0.025 . 1 . . . . . 93 GLN C . 50173 1 293 . 1 . 1 92 92 GLN CA C 13 61.691 0.041 . 1 . . . . . 93 GLN CA . 50173 1 294 . 1 . 1 92 92 GLN CB C 13 31.041 0.000 . 1 . . . . . 93 GLN CB . 50173 1 295 . 1 . 1 92 92 GLN N N 15 128.076 0.127 . 1 . . . . . 93 GLN N . 50173 1 296 . 1 . 1 93 93 GLU H H 1 8.311 0.012 . 1 . . . . . 94 GLU H . 50173 1 297 . 1 . 1 93 93 GLU C C 13 180.821 0.047 . 1 . . . . . 94 GLU C . 50173 1 298 . 1 . 1 93 93 GLU CA C 13 62.291 0.068 . 1 . . . . . 94 GLU CA . 50173 1 299 . 1 . 1 93 93 GLU CB C 13 31.233 0.000 . 1 . . . . . 94 GLU CB . 50173 1 300 . 1 . 1 93 93 GLU N N 15 121.695 0.174 . 1 . . . . . 94 GLU N . 50173 1 301 . 1 . 1 94 94 SER H H 1 7.987 0.014 . 1 . . . . . 95 SER H . 50173 1 302 . 1 . 1 94 94 SER C C 13 178.846 0.000 . 1 . . . . . 95 SER C . 50173 1 303 . 1 . 1 94 94 SER CA C 13 63.909 0.020 . 1 . . . . . 95 SER CA . 50173 1 304 . 1 . 1 94 94 SER CB C 13 66.278 0.000 . 1 . . . . . 95 SER CB . 50173 1 305 . 1 . 1 94 94 SER N N 15 117.372 0.110 . 1 . . . . . 95 SER N . 50173 1 306 . 1 . 1 95 95 TYR H H 1 7.209 0.013 . 1 . . . . . 96 TYR H . 50173 1 307 . 1 . 1 95 95 TYR C C 13 181.147 0.033 . 1 . . . . . 96 TYR C . 50173 1 308 . 1 . 1 95 95 TYR CA C 13 62.762 0.043 . 1 . . . . . 96 TYR CA . 50173 1 309 . 1 . 1 95 95 TYR CB C 13 41.845 0.000 . 1 . . . . . 96 TYR CB . 50173 1 310 . 1 . 1 95 95 TYR N N 15 124.207 0.097 . 1 . . . . . 96 TYR N . 50173 1 311 . 1 . 1 96 96 ALA H H 1 8.706 0.014 . 1 . . . . . 97 ALA H . 50173 1 312 . 1 . 1 96 96 ALA C C 13 183.818 0.041 . 1 . . . . . 97 ALA C . 50173 1 313 . 1 . 1 96 96 ALA CA C 13 57.886 0.026 . 1 . . . . . 97 ALA CA . 50173 1 314 . 1 . 1 96 96 ALA CB C 13 20.201 0.000 . 1 . . . . . 97 ALA CB . 50173 1 315 . 1 . 1 96 96 ALA N N 15 127.759 0.087 . 1 . . . . . 97 ALA N . 50173 1 316 . 1 . 1 97 97 ASN H H 1 8.403 0.014 . 1 . . . . . 98 ASN H . 50173 1 317 . 1 . 1 97 97 ASN C C 13 180.068 0.025 . 1 . . . . . 98 ASN C . 50173 1 318 . 1 . 1 97 97 ASN CA C 13 56.749 0.052 . 1 . . . . . 98 ASN CA . 50173 1 319 . 1 . 1 97 97 ASN CB C 13 40.837 0.000 . 1 . . . . . 98 ASN CB . 50173 1 320 . 1 . 1 97 97 ASN N N 15 115.188 0.109 . 1 . . . . . 98 ASN N . 50173 1 321 . 1 . 1 98 98 VAL H H 1 7.972 0.012 . 1 . . . . . 99 VAL H . 50173 1 322 . 1 . 1 98 98 VAL C C 13 180.043 0.013 . 1 . . . . . 99 VAL C . 50173 1 323 . 1 . 1 98 98 VAL CA C 13 70.298 0.043 . 1 . . . . . 99 VAL CA . 50173 1 324 . 1 . 1 98 98 VAL CB C 13 33.156 0.000 . 1 . . . . . 99 VAL CB . 50173 1 325 . 1 . 1 98 98 VAL N N 15 124.463 0.084 . 1 . . . . . 99 VAL N . 50173 1 326 . 1 . 1 99 99 LYS H H 1 7.399 0.017 . 1 . . . . . 100 LYS H . 50173 1 327 . 1 . 1 99 99 LYS C C 13 181.428 0.038 . 1 . . . . . 100 LYS C . 50173 1 328 . 1 . 1 99 99 LYS CA C 13 63.250 0.023 . 1 . . . . . 100 LYS CA . 50173 1 329 . 1 . 1 99 99 LYS CB C 13 34.590 0.000 . 1 . . . . . 100 LYS CB . 50173 1 330 . 1 . 1 99 99 LYS N N 15 117.236 0.114 . 1 . . . . . 100 LYS N . 50173 1 331 . 1 . 1 100 100 GLN H H 1 7.288 0.017 . 1 . . . . . 101 GLN H . 50173 1 332 . 1 . 1 100 100 GLN C C 13 181.764 0.043 . 1 . . . . . 101 GLN C . 50173 1 333 . 1 . 1 100 100 GLN CA C 13 61.268 0.037 . 1 . . . . . 101 GLN CA . 50173 1 334 . 1 . 1 100 100 GLN CB C 13 30.450 0.000 . 1 . . . . . 101 GLN CB . 50173 1 335 . 1 . 1 100 100 GLN N N 15 120.417 0.117 . 1 . . . . . 101 GLN N . 50173 1 336 . 1 . 1 101 101 TRP H H 1 7.871 0.011 . 1 . . . . . 102 TRP H . 50173 1 337 . 1 . 1 101 101 TRP C C 13 181.495 0.036 . 1 . . . . . 102 TRP C . 50173 1 338 . 1 . 1 101 101 TRP CA C 13 63.118 0.025 . 1 . . . . . 102 TRP CA . 50173 1 339 . 1 . 1 101 101 TRP CB C 13 32.183 0.000 . 1 . . . . . 102 TRP CB . 50173 1 340 . 1 . 1 101 101 TRP N N 15 122.817 0.081 . 1 . . . . . 102 TRP N . 50173 1 341 . 1 . 1 102 102 LEU H H 1 8.779 0.016 . 1 . . . . . 103 LEU H . 50173 1 342 . 1 . 1 102 102 LEU C C 13 181.772 0.046 . 1 . . . . . 103 LEU C . 50173 1 343 . 1 . 1 102 102 LEU CA C 13 60.989 0.039 . 1 . . . . . 103 LEU CA . 50173 1 344 . 1 . 1 102 102 LEU CB C 13 43.606 0.000 . 1 . . . . . 103 LEU CB . 50173 1 345 . 1 . 1 102 102 LEU N N 15 118.990 0.123 . 1 . . . . . 103 LEU N . 50173 1 346 . 1 . 1 103 103 GLN H H 1 7.509 0.010 . 1 . . . . . 104 GLN H . 50173 1 347 . 1 . 1 103 103 GLN C C 13 181.306 0.025 . 1 . . . . . 104 GLN C . 50173 1 348 . 1 . 1 103 103 GLN CA C 13 61.644 0.048 . 1 . . . . . 104 GLN CA . 50173 1 349 . 1 . 1 103 103 GLN CB C 13 31.055 0.000 . 1 . . . . . 104 GLN CB . 50173 1 350 . 1 . 1 103 103 GLN N N 15 119.888 0.075 . 1 . . . . . 104 GLN N . 50173 1 351 . 1 . 1 104 104 GLU H H 1 7.790 0.009 . 1 . . . . . 105 GLU H . 50173 1 352 . 1 . 1 104 104 GLU C C 13 180.717 0.024 . 1 . . . . . 105 GLU C . 50173 1 353 . 1 . 1 104 104 GLU CA C 13 62.564 0.035 . 1 . . . . . 105 GLU CA . 50173 1 354 . 1 . 1 104 104 GLU CB C 13 32.298 0.000 . 1 . . . . . 105 GLU CB . 50173 1 355 . 1 . 1 104 104 GLU N N 15 122.337 0.099 . 1 . . . . . 105 GLU N . 50173 1 356 . 1 . 1 105 105 ILE H H 1 7.998 0.035 . 1 . . . . . 106 ILE H . 50173 1 357 . 1 . 1 105 105 ILE C C 13 180.708 0.016 . 1 . . . . . 106 ILE C . 50173 1 358 . 1 . 1 105 105 ILE CA C 13 68.374 0.016 . 1 . . . . . 106 ILE CA . 50173 1 359 . 1 . 1 105 105 ILE CB C 13 40.874 0.000 . 1 . . . . . 106 ILE CB . 50173 1 360 . 1 . 1 105 105 ILE N N 15 120.031 0.159 . 1 . . . . . 106 ILE N . 50173 1 361 . 1 . 1 106 106 ASP H H 1 7.761 0.027 . 1 . . . . . 107 ASP H . 50173 1 362 . 1 . 1 106 106 ASP C C 13 180.569 0.036 . 1 . . . . . 107 ASP C . 50173 1 363 . 1 . 1 106 106 ASP CA C 13 59.618 0.010 . 1 . . . . . 107 ASP CA . 50173 1 364 . 1 . 1 106 106 ASP CB C 13 43.000 0.000 . 1 . . . . . 107 ASP CB . 50173 1 365 . 1 . 1 106 106 ASP N N 15 119.442 0.167 . 1 . . . . . 107 ASP N . 50173 1 366 . 1 . 1 107 107 ARG H H 1 7.422 0.010 . 1 . . . . . 108 ARG H . 50173 1 367 . 1 . 1 107 107 ARG C C 13 180.960 0.010 . 1 . . . . . 108 ARG C . 50173 1 368 . 1 . 1 107 107 ARG CA C 13 61.144 0.051 . 1 . . . . . 108 ARG CA . 50173 1 369 . 1 . 1 107 107 ARG CB C 13 33.074 0.000 . 1 . . . . . 108 ARG CB . 50173 1 370 . 1 . 1 107 107 ARG N N 15 118.418 0.063 . 1 . . . . . 108 ARG N . 50173 1 371 . 1 . 1 108 108 TYR H H 1 7.535 0.014 . 1 . . . . . 109 TYR H . 50173 1 372 . 1 . 1 108 108 TYR C C 13 178.966 0.000 . 1 . . . . . 109 TYR C . 50173 1 373 . 1 . 1 108 108 TYR CA C 13 60.419 0.050 . 1 . . . . . 109 TYR CA . 50173 1 374 . 1 . 1 108 108 TYR CB C 13 44.247 0.000 . 1 . . . . . 109 TYR CB . 50173 1 375 . 1 . 1 108 108 TYR N N 15 115.308 0.109 . 1 . . . . . 109 TYR N . 50173 1 376 . 1 . 1 109 109 ALA H H 1 8.638 0.020 . 1 . . . . . 110 ALA H . 50173 1 377 . 1 . 1 109 109 ALA C C 13 179.275 0.025 . 1 . . . . . 110 ALA C . 50173 1 378 . 1 . 1 109 109 ALA CA C 13 53.802 0.023 . 1 . . . . . 110 ALA CA . 50173 1 379 . 1 . 1 109 109 ALA CB C 13 24.142 0.089 . 1 . . . . . 110 ALA CB . 50173 1 380 . 1 . 1 109 109 ALA N N 15 122.995 0.235 . 1 . . . . . 110 ALA N . 50173 1 381 . 1 . 1 110 110 SER H H 1 8.751 0.041 . 1 . . . . . 111 SER H . 50173 1 382 . 1 . 1 110 110 SER C C 13 178.245 0.000 . 1 . . . . . 111 SER C . 50173 1 383 . 1 . 1 110 110 SER CA C 13 61.813 0.039 . 1 . . . . . 111 SER CA . 50173 1 384 . 1 . 1 110 110 SER CB C 13 66.699 0.000 . 1 . . . . . 111 SER CB . 50173 1 385 . 1 . 1 110 110 SER N N 15 116.354 0.111 . 1 . . . . . 111 SER N . 50173 1 386 . 1 . 1 111 111 GLU H H 1 9.016 0.010 . 1 . . . . . 112 GLU H . 50173 1 387 . 1 . 1 111 111 GLU C C 13 179.452 0.000 . 1 . . . . . 112 GLU C . 50173 1 388 . 1 . 1 111 111 GLU CA C 13 61.162 0.003 . 1 . . . . . 112 GLU CA . 50173 1 389 . 1 . 1 111 111 GLU N N 15 125.088 0.082 . 1 . . . . . 112 GLU N . 50173 1 390 . 1 . 1 112 112 ASN H H 1 8.337 0.025 . 1 . . . . . 113 ASN H . 50173 1 391 . 1 . 1 112 112 ASN C C 13 177.008 0.038 . 1 . . . . . 113 ASN C . 50173 1 392 . 1 . 1 112 112 ASN CA C 13 55.418 0.043 . 1 . . . . . 113 ASN CA . 50173 1 393 . 1 . 1 112 112 ASN N N 15 116.669 0.179 . 1 . . . . . 113 ASN N . 50173 1 394 . 1 . 1 113 113 VAL H H 1 7.063 0.032 . 1 . . . . . 114 VAL H . 50173 1 395 . 1 . 1 113 113 VAL C C 13 176.840 0.018 . 1 . . . . . 114 VAL C . 50173 1 396 . 1 . 1 113 113 VAL CA C 13 65.057 0.018 . 1 . . . . . 114 VAL CA . 50173 1 397 . 1 . 1 113 113 VAL CB C 13 34.612 0.000 . 1 . . . . . 114 VAL CB . 50173 1 398 . 1 . 1 113 113 VAL N N 15 120.006 0.094 . 1 . . . . . 114 VAL N . 50173 1 399 . 1 . 1 114 114 ASN H H 1 7.751 0.010 . 1 . . . . . 115 ASN H . 50173 1 400 . 1 . 1 114 114 ASN C C 13 177.253 0.008 . 1 . . . . . 115 ASN C . 50173 1 401 . 1 . 1 114 114 ASN CA C 13 58.450 0.023 . 1 . . . . . 115 ASN CA . 50173 1 402 . 1 . 1 114 114 ASN CB C 13 43.680 0.000 . 1 . . . . . 115 ASN CB . 50173 1 403 . 1 . 1 114 114 ASN N N 15 125.415 0.153 . 1 . . . . . 115 ASN N . 50173 1 404 . 1 . 1 115 115 LYS H H 1 8.448 0.014 . 1 . . . . . 116 LYS H . 50173 1 405 . 1 . 1 115 115 LYS C C 13 177.092 0.014 . 1 . . . . . 116 LYS C . 50173 1 406 . 1 . 1 115 115 LYS CA C 13 57.739 0.016 . 1 . . . . . 116 LYS CA . 50173 1 407 . 1 . 1 115 115 LYS CB C 13 39.617 0.000 . 1 . . . . . 116 LYS CB . 50173 1 408 . 1 . 1 115 115 LYS N N 15 121.332 0.134 . 1 . . . . . 116 LYS N . 50173 1 409 . 1 . 1 116 116 LEU H H 1 7.707 0.015 . 1 . . . . . 117 LEU H . 50173 1 410 . 1 . 1 116 116 LEU C C 13 175.387 0.000 . 1 . . . . . 117 LEU C . 50173 1 411 . 1 . 1 116 116 LEU CA C 13 57.841 0.036 . 1 . . . . . 117 LEU CA . 50173 1 412 . 1 . 1 116 116 LEU CB C 13 49.892 0.000 . 1 . . . . . 117 LEU CB . 50173 1 413 . 1 . 1 116 116 LEU N N 15 121.677 0.102 . 1 . . . . . 117 LEU N . 50173 1 414 . 1 . 1 117 117 LEU H H 1 8.681 0.013 . 1 . . . . . 118 LEU H . 50173 1 415 . 1 . 1 117 117 LEU C C 13 176.193 0.000 . 1 . . . . . 118 LEU C . 50173 1 416 . 1 . 1 117 117 LEU CA C 13 56.345 0.010 . 1 . . . . . 118 LEU CA . 50173 1 417 . 1 . 1 117 117 LEU N N 15 129.451 0.114 . 1 . . . . . 118 LEU N . 50173 1 418 . 1 . 1 118 118 VAL H H 1 9.348 0.014 . 1 . . . . . 119 VAL H . 50173 1 419 . 1 . 1 118 118 VAL CA C 13 62.222 0.048 . 1 . . . . . 119 VAL CA . 50173 1 420 . 1 . 1 118 118 VAL CB C 13 38.692 0.000 . 1 . . . . . 119 VAL CB . 50173 1 421 . 1 . 1 118 118 VAL N N 15 127.015 0.105 . 1 . . . . . 119 VAL N . 50173 1 422 . 1 . 1 119 119 GLY H H 1 8.122 0.014 . 1 . . . . . 120 GLY H . 50173 1 423 . 1 . 1 119 119 GLY CA C 13 47.045 0.021 . 1 . . . . . 120 GLY CA . 50173 1 424 . 1 . 1 119 119 GLY N N 15 113.455 0.152 . 1 . . . . . 120 GLY N . 50173 1 425 . 1 . 1 120 120 ASN H H 1 9.104 0.012 . 1 . . . . . 121 ASN H . 50173 1 426 . 1 . 1 120 120 ASN CA C 13 54.104 0.022 . 1 . . . . . 121 ASN CA . 50173 1 427 . 1 . 1 120 120 ASN CB C 13 44.170 0.000 . 1 . . . . . 121 ASN CB . 50173 1 428 . 1 . 1 120 120 ASN N N 15 124.378 0.084 . 1 . . . . . 121 ASN N . 50173 1 429 . 1 . 1 121 121 LYS H H 1 7.246 0.020 . 1 . . . . . 122 LYS H . 50173 1 430 . 1 . 1 121 121 LYS CA C 13 60.199 0.027 . 1 . . . . . 122 LYS CA . 50173 1 431 . 1 . 1 121 121 LYS N N 15 113.134 0.090 . 1 . . . . . 122 LYS N . 50173 1 432 . 1 . 1 122 122 SER H H 1 8.956 0.017 . 1 . . . . . 123 SER H . 50173 1 433 . 1 . 1 122 122 SER CA C 13 63.348 0.051 . 1 . . . . . 123 SER CA . 50173 1 434 . 1 . 1 122 122 SER CB C 13 66.068 0.000 . 1 . . . . . 123 SER CB . 50173 1 435 . 1 . 1 122 122 SER N N 15 115.245 0.069 . 1 . . . . . 123 SER N . 50173 1 436 . 1 . 1 123 123 ASP H H 1 8.492 0.039 . 1 . . . . . 124 ASP H . 50173 1 437 . 1 . 1 123 123 ASP CA C 13 56.981 0.007 . 1 . . . . . 124 ASP CA . 50173 1 438 . 1 . 1 123 123 ASP CB C 13 43.814 0.000 . 1 . . . . . 124 ASP CB . 50173 1 439 . 1 . 1 123 123 ASP N N 15 117.228 0.186 . 1 . . . . . 124 ASP N . 50173 1 440 . 1 . 1 124 124 LEU H H 1 7.865 0.018 . 1 . . . . . 125 LEU H . 50173 1 441 . 1 . 1 124 124 LEU CA C 13 55.508 0.013 . 1 . . . . . 125 LEU CA . 50173 1 442 . 1 . 1 124 124 LEU CB C 13 43.961 0.000 . 1 . . . . . 125 LEU CB . 50173 1 443 . 1 . 1 124 124 LEU N N 15 125.742 0.109 . 1 . . . . . 125 LEU N . 50173 1 444 . 1 . 1 125 125 THR H H 1 7.831 0.014 . 1 . . . . . 126 THR H . 50173 1 445 . 1 . 1 125 125 THR CA C 13 68.422 0.000 . 1 . . . . . 126 THR CA . 50173 1 446 . 1 . 1 125 125 THR CB C 13 71.183 0.000 . 1 . . . . . 126 THR CB . 50173 1 447 . 1 . 1 125 125 THR N N 15 113.609 0.119 . 1 . . . . . 126 THR N . 50173 1 448 . 1 . 1 126 126 THR C C 13 177.899 0.000 . 1 . . . . . 127 THR C . 50173 1 449 . 1 . 1 126 126 THR CA C 13 66.029 0.010 . 1 . . . . . 127 THR CA . 50173 1 450 . 1 . 1 127 127 LYS H H 1 7.298 0.010 . 1 . . . . . 128 LYS H . 50173 1 451 . 1 . 1 127 127 LYS C C 13 177.750 0.015 . 1 . . . . . 128 LYS C . 50173 1 452 . 1 . 1 127 127 LYS CA C 13 57.379 0.017 . 1 . . . . . 128 LYS CA . 50173 1 453 . 1 . 1 127 127 LYS CB C 13 34.598 0.000 . 1 . . . . . 128 LYS CB . 50173 1 454 . 1 . 1 127 127 LYS N N 15 120.463 0.070 . 1 . . . . . 128 LYS N . 50173 1 455 . 1 . 1 128 128 LYS H H 1 7.030 0.014 . 1 . . . . . 129 LYS H . 50173 1 456 . 1 . 1 128 128 LYS C C 13 178.906 0.025 . 1 . . . . . 129 LYS C . 50173 1 457 . 1 . 1 128 128 LYS CA C 13 61.529 0.022 . 1 . . . . . 129 LYS CA . 50173 1 458 . 1 . 1 128 128 LYS CB C 13 36.212 0.000 . 1 . . . . . 129 LYS CB . 50173 1 459 . 1 . 1 128 128 LYS N N 15 122.442 0.095 . 1 . . . . . 129 LYS N . 50173 1 460 . 1 . 1 129 129 VAL H H 1 8.787 0.018 . 1 . . . . . 130 VAL H . 50173 1 461 . 1 . 1 129 129 VAL C C 13 177.913 0.003 . 1 . . . . . 130 VAL C . 50173 1 462 . 1 . 1 129 129 VAL CA C 13 63.993 0.054 . 1 . . . . . 130 VAL CA . 50173 1 463 . 1 . 1 129 129 VAL CB C 13 36.635 0.000 . 1 . . . . . 130 VAL CB . 50173 1 464 . 1 . 1 129 129 VAL N N 15 120.875 0.192 . 1 . . . . . 130 VAL N . 50173 1 465 . 1 . 1 130 130 VAL H H 1 7.560 0.024 . 1 . . . . . 131 VAL H . 50173 1 466 . 1 . 1 130 130 VAL C C 13 177.914 0.023 . 1 . . . . . 131 VAL C . 50173 1 467 . 1 . 1 130 130 VAL CA C 13 64.363 0.008 . 1 . . . . . 131 VAL CA . 50173 1 468 . 1 . 1 130 130 VAL CB C 13 34.227 0.000 . 1 . . . . . 131 VAL CB . 50173 1 469 . 1 . 1 130 130 VAL N N 15 124.614 0.178 . 1 . . . . . 131 VAL N . 50173 1 470 . 1 . 1 131 131 ASP H H 1 8.620 0.017 . 1 . . . . . 132 ASP H . 50173 1 471 . 1 . 1 131 131 ASP C C 13 179.203 0.000 . 1 . . . . . 132 ASP C . 50173 1 472 . 1 . 1 131 131 ASP CA C 13 57.366 0.000 . 1 . . . . . 132 ASP CA . 50173 1 473 . 1 . 1 131 131 ASP CB C 13 44.706 0.000 . 1 . . . . . 132 ASP CB . 50173 1 474 . 1 . 1 131 131 ASP N N 15 130.586 0.130 . 1 . . . . . 132 ASP N . 50173 1 475 . 1 . 1 132 132 ASN H H 1 8.806 0.023 . 1 . . . . . 133 ASN H . 50173 1 476 . 1 . 1 132 132 ASN C C 13 179.800 0.000 . 1 . . . . . 133 ASN C . 50173 1 477 . 1 . 1 132 132 ASN CA C 13 59.229 0.023 . 1 . . . . . 133 ASN CA . 50173 1 478 . 1 . 1 132 132 ASN N N 15 124.242 0.026 . 1 . . . . . 133 ASN N . 50173 1 479 . 1 . 1 133 133 THR H H 1 8.425 0.018 . 1 . . . . . 134 THR H . 50173 1 480 . 1 . 1 133 133 THR C C 13 179.194 0.000 . 1 . . . . . 134 THR C . 50173 1 481 . 1 . 1 133 133 THR CA C 13 68.735 0.018 . 1 . . . . . 134 THR CA . 50173 1 482 . 1 . 1 133 133 THR CB C 13 70.906 0.000 . 1 . . . . . 134 THR CB . 50173 1 483 . 1 . 1 133 133 THR N N 15 116.938 0.098 . 1 . . . . . 134 THR N . 50173 1 484 . 1 . 1 134 134 THR H H 1 7.390 0.008 . 1 . . . . . 135 THR H . 50173 1 485 . 1 . 1 134 134 THR C C 13 178.757 0.026 . 1 . . . . . 135 THR C . 50173 1 486 . 1 . 1 134 134 THR CA C 13 68.603 0.050 . 1 . . . . . 135 THR CA . 50173 1 487 . 1 . 1 134 134 THR CB C 13 71.516 0.000 . 1 . . . . . 135 THR CB . 50173 1 488 . 1 . 1 134 134 THR N N 15 121.422 0.072 . 1 . . . . . 135 THR N . 50173 1 489 . 1 . 1 135 135 ALA H H 1 7.215 0.012 . 1 . . . . . 136 ALA H . 50173 1 490 . 1 . 1 135 135 ALA C C 13 181.172 0.043 . 1 . . . . . 136 ALA C . 50173 1 491 . 1 . 1 135 135 ALA CA C 13 57.339 0.013 . 1 . . . . . 136 ALA CA . 50173 1 492 . 1 . 1 135 135 ALA CB C 13 22.828 0.000 . 1 . . . . . 136 ALA CB . 50173 1 493 . 1 . 1 135 135 ALA N N 15 126.332 0.114 . 1 . . . . . 136 ALA N . 50173 1 494 . 1 . 1 136 136 LYS H H 1 8.028 0.015 . 1 . . . . . 137 LYS H . 50173 1 495 . 1 . 1 136 136 LYS C C 13 180.767 0.023 . 1 . . . . . 137 LYS C . 50173 1 496 . 1 . 1 136 136 LYS CA C 13 61.906 0.016 . 1 . . . . . 137 LYS CA . 50173 1 497 . 1 . 1 136 136 LYS N N 15 119.359 0.150 . 1 . . . . . 137 LYS N . 50173 1 498 . 1 . 1 137 137 GLU H H 1 7.861 0.014 . 1 . . . . . 138 GLU H . 50173 1 499 . 1 . 1 137 137 GLU C C 13 182.462 0.037 . 1 . . . . . 138 GLU C . 50173 1 500 . 1 . 1 137 137 GLU CA C 13 62.343 0.050 . 1 . . . . . 138 GLU CA . 50173 1 501 . 1 . 1 137 137 GLU CB C 13 31.777 0.000 . 1 . . . . . 138 GLU CB . 50173 1 502 . 1 . 1 137 137 GLU N N 15 119.695 0.139 . 1 . . . . . 138 GLU N . 50173 1 503 . 1 . 1 138 138 PHE H H 1 7.810 0.013 . 1 . . . . . 139 PHE H . 50173 1 504 . 1 . 1 138 138 PHE C C 13 180.910 0.035 . 1 . . . . . 139 PHE C . 50173 1 505 . 1 . 1 138 138 PHE CA C 13 62.562 0.054 . 1 . . . . . 139 PHE CA . 50173 1 506 . 1 . 1 138 138 PHE CB C 13 41.711 0.000 . 1 . . . . . 139 PHE CB . 50173 1 507 . 1 . 1 138 138 PHE N N 15 122.882 0.141 . 1 . . . . . 139 PHE N . 50173 1 508 . 1 . 1 139 139 ALA H H 1 8.905 0.013 . 1 . . . . . 140 ALA H . 50173 1 509 . 1 . 1 139 139 ALA C C 13 182.991 0.043 . 1 . . . . . 140 ALA C . 50173 1 510 . 1 . 1 139 139 ALA CA C 13 58.723 0.030 . 1 . . . . . 140 ALA CA . 50173 1 511 . 1 . 1 139 139 ALA CB C 13 20.729 0.000 . 1 . . . . . 140 ALA CB . 50173 1 512 . 1 . 1 139 139 ALA N N 15 126.636 0.122 . 1 . . . . . 140 ALA N . 50173 1 513 . 1 . 1 140 140 ASP H H 1 9.360 0.017 . 1 . . . . . 141 ASP H . 50173 1 514 . 1 . 1 140 140 ASP C C 13 183.032 0.035 . 1 . . . . . 141 ASP C . 50173 1 515 . 1 . 1 140 140 ASP CA C 13 59.959 0.017 . 1 . . . . . 141 ASP CA . 50173 1 516 . 1 . 1 140 140 ASP CB C 13 42.378 0.000 . 1 . . . . . 141 ASP CB . 50173 1 517 . 1 . 1 140 140 ASP N N 15 119.774 0.113 . 1 . . . . . 141 ASP N . 50173 1 518 . 1 . 1 141 141 SER H H 1 8.028 0.015 . 1 . . . . . 142 SER H . 50173 1 519 . 1 . 1 141 141 SER C C 13 177.810 0.013 . 1 . . . . . 142 SER C . 50173 1 520 . 1 . 1 141 141 SER CA C 13 64.184 0.034 . 1 . . . . . 142 SER CA . 50173 1 521 . 1 . 1 141 141 SER CB C 13 65.347 0.000 . 1 . . . . . 142 SER CB . 50173 1 522 . 1 . 1 141 141 SER N N 15 119.421 0.156 . 1 . . . . . 142 SER N . 50173 1 523 . 1 . 1 142 142 LEU H H 1 7.179 0.019 . 1 . . . . . 143 LEU H . 50173 1 524 . 1 . 1 142 142 LEU C C 13 180.094 0.043 . 1 . . . . . 143 LEU C . 50173 1 525 . 1 . 1 142 142 LEU CA C 13 57.090 0.029 . 1 . . . . . 143 LEU CA . 50173 1 526 . 1 . 1 142 142 LEU CB C 13 46.350 0.000 . 1 . . . . . 143 LEU CB . 50173 1 527 . 1 . 1 142 142 LEU N N 15 122.784 0.093 . 1 . . . . . 143 LEU N . 50173 1 528 . 1 . 1 143 143 GLY H H 1 8.004 0.018 . 1 . . . . . 144 GLY H . 50173 1 529 . 1 . 1 143 143 GLY C C 13 177.578 0.033 . 1 . . . . . 144 GLY C . 50173 1 530 . 1 . 1 143 143 GLY CA C 13 48.914 0.007 . 1 . . . . . 144 GLY CA . 50173 1 531 . 1 . 1 143 143 GLY N N 15 111.007 0.075 . 1 . . . . . 144 GLY N . 50173 1 532 . 1 . 1 144 144 ILE H H 1 7.833 0.012 . 1 . . . . . 145 ILE H . 50173 1 533 . 1 . 1 144 144 ILE C C 13 175.506 0.000 . 1 . . . . . 145 ILE C . 50173 1 534 . 1 . 1 144 144 ILE CA C 13 60.711 0.000 . 1 . . . . . 145 ILE CA . 50173 1 535 . 1 . 1 144 144 ILE CB C 13 42.154 0.000 . 1 . . . . . 145 ILE CB . 50173 1 536 . 1 . 1 144 144 ILE N N 15 117.390 0.094 . 1 . . . . . 145 ILE N . 50173 1 537 . 1 . 1 145 145 PRO C C 13 176.812 0.000 . 1 . . . . . 146 PRO C . 50173 1 538 . 1 . 1 145 145 PRO CA C 13 65.061 0.004 . 1 . . . . . 146 PRO CA . 50173 1 539 . 1 . 1 146 146 PHE H H 1 7.907 0.019 . 1 . . . . . 147 PHE H . 50173 1 540 . 1 . 1 146 146 PHE C C 13 177.378 0.006 . 1 . . . . . 147 PHE C . 50173 1 541 . 1 . 1 146 146 PHE CA C 13 57.939 0.015 . 1 . . . . . 147 PHE CA . 50173 1 542 . 1 . 1 146 146 PHE CB C 13 34.269 0.000 . 1 . . . . . 147 PHE CB . 50173 1 543 . 1 . 1 146 146 PHE N N 15 121.052 0.135 . 1 . . . . . 147 PHE N . 50173 1 544 . 1 . 1 147 147 LEU H H 1 8.042 0.011 . 1 . . . . . 148 LEU H . 50173 1 545 . 1 . 1 147 147 LEU C C 13 176.128 0.033 . 1 . . . . . 148 LEU C . 50173 1 546 . 1 . 1 147 147 LEU CA C 13 57.266 0.006 . 1 . . . . . 148 LEU CA . 50173 1 547 . 1 . 1 147 147 LEU CB C 13 49.737 0.000 . 1 . . . . . 148 LEU CB . 50173 1 548 . 1 . 1 147 147 LEU N N 15 129.428 0.110 . 1 . . . . . 148 LEU N . 50173 1 549 . 1 . 1 148 148 GLU H H 1 8.022 0.018 . 1 . . . . . 149 GLU H . 50173 1 550 . 1 . 1 148 148 GLU C C 13 180.168 0.008 . 1 . . . . . 149 GLU C . 50173 1 551 . 1 . 1 148 148 GLU CA C 13 56.889 0.012 . 1 . . . . . 149 GLU CA . 50173 1 552 . 1 . 1 148 148 GLU CB C 13 34.891 0.000 . 1 . . . . . 149 GLU CB . 50173 1 553 . 1 . 1 148 148 GLU N N 15 118.380 0.185 . 1 . . . . . 149 GLU N . 50173 1 554 . 1 . 1 149 149 THR H H 1 9.281 0.016 . 1 . . . . . 150 THR H . 50173 1 555 . 1 . 1 149 149 THR C C 13 177.805 0.037 . 1 . . . . . 150 THR C . 50173 1 556 . 1 . 1 149 149 THR CA C 13 62.657 0.029 . 1 . . . . . 150 THR CA . 50173 1 557 . 1 . 1 149 149 THR CB C 13 76.478 0.012 . 1 . . . . . 150 THR CB . 50173 1 558 . 1 . 1 149 149 THR N N 15 114.653 0.080 . 1 . . . . . 150 THR N . 50173 1 559 . 1 . 1 150 150 SER H H 1 8.218 0.008 . 1 . . . . . 151 SER H . 50173 1 560 . 1 . 1 150 150 SER C C 13 178.517 0.000 . 1 . . . . . 151 SER C . 50173 1 561 . 1 . 1 150 150 SER CA C 13 59.419 0.022 . 1 . . . . . 151 SER CA . 50173 1 562 . 1 . 1 150 150 SER CB C 13 67.219 0.000 . 1 . . . . . 151 SER CB . 50173 1 563 . 1 . 1 150 150 SER N N 15 112.697 0.077 . 1 . . . . . 151 SER N . 50173 1 564 . 1 . 1 151 151 ALA H H 1 9.059 0.020 . 1 . . . . . 152 ALA H . 50173 1 565 . 1 . 1 151 151 ALA C C 13 180.795 0.024 . 1 . . . . . 152 ALA C . 50173 1 566 . 1 . 1 151 151 ALA CA C 13 58.742 0.020 . 1 . . . . . 152 ALA CA . 50173 1 567 . 1 . 1 151 151 ALA N N 15 134.271 0.053 . 1 . . . . . 152 ALA N . 50173 1 568 . 1 . 1 152 152 LYS H H 1 7.117 0.026 . 1 . . . . . 153 LYS H . 50173 1 569 . 1 . 1 152 152 LYS C C 13 179.526 0.000 . 1 . . . . . 153 LYS C . 50173 1 570 . 1 . 1 152 152 LYS CA C 13 61.117 0.055 . 1 . . . . . 153 LYS CA . 50173 1 571 . 1 . 1 152 152 LYS N N 15 119.074 0.125 . 1 . . . . . 153 LYS N . 50173 1 572 . 1 . 1 153 153 ASN H H 1 7.983 0.011 . 1 . . . . . 154 ASN H . 50173 1 573 . 1 . 1 153 153 ASN C C 13 177.851 0.008 . 1 . . . . . 154 ASN C . 50173 1 574 . 1 . 1 153 153 ASN CA C 13 54.803 0.046 . 1 . . . . . 154 ASN CA . 50173 1 575 . 1 . 1 153 153 ASN CB C 13 40.735 0.039 . 1 . . . . . 154 ASN CB . 50173 1 576 . 1 . 1 153 153 ASN N N 15 115.490 0.160 . 1 . . . . . 154 ASN N . 50173 1 577 . 1 . 1 154 154 ALA H H 1 7.771 0.010 . 1 . . . . . 155 ALA H . 50173 1 578 . 1 . 1 154 154 ALA C C 13 178.894 0.032 . 1 . . . . . 155 ALA C . 50173 1 579 . 1 . 1 154 154 ALA CA C 13 57.689 0.049 . 1 . . . . . 155 ALA CA . 50173 1 580 . 1 . 1 154 154 ALA CB C 13 19.871 0.003 . 1 . . . . . 155 ALA CB . 50173 1 581 . 1 . 1 154 154 ALA N N 15 120.146 0.062 . 1 . . . . . 155 ALA N . 50173 1 582 . 1 . 1 155 155 THR H H 1 8.105 0.014 . 1 . . . . . 156 THR H . 50173 1 583 . 1 . 1 155 155 THR C C 13 177.589 0.019 . 1 . . . . . 156 THR C . 50173 1 584 . 1 . 1 155 155 THR CA C 13 67.020 0.007 . 1 . . . . . 156 THR CA . 50173 1 585 . 1 . 1 155 155 THR CB C 13 71.734 0.000 . 1 . . . . . 156 THR CB . 50173 1 586 . 1 . 1 155 155 THR N N 15 118.557 0.091 . 1 . . . . . 156 THR N . 50173 1 587 . 1 . 1 156 156 ASN H H 1 9.388 0.018 . 1 . . . . . 157 ASN H . 50173 1 588 . 1 . 1 156 156 ASN C C 13 177.185 0.040 . 1 . . . . . 157 ASN C . 50173 1 589 . 1 . 1 156 156 ASN CA C 13 57.042 0.071 . 1 . . . . . 157 ASN CA . 50173 1 590 . 1 . 1 156 156 ASN CB C 13 39.680 0.015 . 1 . . . . . 157 ASN CB . 50173 1 591 . 1 . 1 156 156 ASN N N 15 122.100 0.136 . 1 . . . . . 157 ASN N . 50173 1 592 . 1 . 1 157 157 VAL H H 1 7.695 0.011 . 1 . . . . . 158 VAL H . 50173 1 593 . 1 . 1 157 157 VAL C C 13 179.789 0.030 . 1 . . . . . 158 VAL C . 50173 1 594 . 1 . 1 157 157 VAL CA C 13 71.056 0.056 . 1 . . . . . 158 VAL CA . 50173 1 595 . 1 . 1 157 157 VAL CB C 13 33.376 0.070 . 1 . . . . . 158 VAL CB . 50173 1 596 . 1 . 1 157 157 VAL N N 15 123.248 0.067 . 1 . . . . . 158 VAL N . 50173 1 597 . 1 . 1 158 158 GLU H H 1 8.778 0.013 . 1 . . . . . 159 GLU H . 50173 1 598 . 1 . 1 158 158 GLU C C 13 181.468 0.028 . 1 . . . . . 159 GLU C . 50173 1 599 . 1 . 1 158 158 GLU CA C 13 63.187 0.018 . 1 . . . . . 159 GLU CA . 50173 1 600 . 1 . 1 158 158 GLU CB C 13 31.809 0.000 . 1 . . . . . 159 GLU CB . 50173 1 601 . 1 . 1 158 158 GLU N N 15 120.734 0.096 . 1 . . . . . 159 GLU N . 50173 1 602 . 1 . 1 159 159 GLN H H 1 8.510 0.019 . 1 . . . . . 160 GLN H . 50173 1 603 . 1 . 1 159 159 GLN C C 13 181.171 0.019 . 1 . . . . . 160 GLN C . 50173 1 604 . 1 . 1 159 159 GLN CA C 13 61.876 0.048 . 1 . . . . . 160 GLN CA . 50173 1 605 . 1 . 1 159 159 GLN CB C 13 30.164 0.000 . 1 . . . . . 160 GLN CB . 50173 1 606 . 1 . 1 159 159 GLN N N 15 117.958 0.212 . 1 . . . . . 160 GLN N . 50173 1 607 . 1 . 1 160 160 ALA H H 1 8.194 0.016 . 1 . . . . . 161 ALA H . 50173 1 608 . 1 . 1 160 160 ALA C C 13 180.571 0.031 . 1 . . . . . 161 ALA C . 50173 1 609 . 1 . 1 160 160 ALA CA C 13 58.441 0.022 . 1 . . . . . 161 ALA CA . 50173 1 610 . 1 . 1 160 160 ALA N N 15 125.453 0.131 . 1 . . . . . 161 ALA N . 50173 1 611 . 1 . 1 161 161 PHE H H 1 7.030 0.021 . 1 . . . . . 162 PHE H . 50173 1 612 . 1 . 1 161 161 PHE C C 13 180.899 0.000 . 1 . . . . . 162 PHE C . 50173 1 613 . 1 . 1 161 161 PHE CA C 13 65.544 0.010 . 1 . . . . . 162 PHE CA . 50173 1 614 . 1 . 1 161 161 PHE CB C 13 42.576 0.000 . 1 . . . . . 162 PHE CB . 50173 1 615 . 1 . 1 161 161 PHE N N 15 115.109 0.110 . 1 . . . . . 162 PHE N . 50173 1 616 . 1 . 1 162 162 MET H H 1 8.850 0.017 . 1 . . . . . 163 MET H . 50173 1 617 . 1 . 1 162 162 MET C C 13 181.906 0.033 . 1 . . . . . 163 MET C . 50173 1 618 . 1 . 1 162 162 MET CA C 13 60.856 0.042 . 1 . . . . . 163 MET CA . 50173 1 619 . 1 . 1 162 162 MET N N 15 118.981 0.121 . 1 . . . . . 163 MET N . 50173 1 620 . 1 . 1 163 163 THR H H 1 8.585 0.021 . 1 . . . . . 164 THR H . 50173 1 621 . 1 . 1 163 163 THR C C 13 178.531 0.000 . 1 . . . . . 164 THR C . 50173 1 622 . 1 . 1 163 163 THR CA C 13 69.712 0.037 . 1 . . . . . 164 THR CA . 50173 1 623 . 1 . 1 163 163 THR CB C 13 71.205 0.000 . 1 . . . . . 164 THR CB . 50173 1 624 . 1 . 1 163 163 THR N N 15 119.510 0.169 . 1 . . . . . 164 THR N . 50173 1 625 . 1 . 1 164 164 MET H H 1 7.491 0.018 . 1 . . . . . 165 MET H . 50173 1 626 . 1 . 1 164 164 MET C C 13 179.552 0.032 . 1 . . . . . 165 MET C . 50173 1 627 . 1 . 1 164 164 MET CA C 13 60.929 0.030 . 1 . . . . . 165 MET CA . 50173 1 628 . 1 . 1 164 164 MET CB C 13 34.854 0.000 . 1 . . . . . 165 MET CB . 50173 1 629 . 1 . 1 164 164 MET N N 15 121.086 0.119 . 1 . . . . . 165 MET N . 50173 1 630 . 1 . 1 165 165 ALA H H 1 8.404 0.024 . 1 . . . . . 166 ALA H . 50173 1 631 . 1 . 1 165 165 ALA C C 13 180.745 0.028 . 1 . . . . . 166 ALA C . 50173 1 632 . 1 . 1 165 165 ALA CA C 13 58.342 0.019 . 1 . . . . . 166 ALA CA . 50173 1 633 . 1 . 1 165 165 ALA CB C 13 21.463 0.000 . 1 . . . . . 166 ALA CB . 50173 1 634 . 1 . 1 165 165 ALA N N 15 120.820 0.155 . 1 . . . . . 166 ALA N . 50173 1 635 . 1 . 1 166 166 ALA H H 1 8.353 0.019 . 1 . . . . . 167 ALA H . 50173 1 636 . 1 . 1 166 166 ALA C C 13 183.542 0.045 . 1 . . . . . 167 ALA C . 50173 1 637 . 1 . 1 166 166 ALA CA C 13 57.825 0.009 . 1 . . . . . 167 ALA CA . 50173 1 638 . 1 . 1 166 166 ALA CB C 13 20.922 0.000 . 1 . . . . . 167 ALA CB . 50173 1 639 . 1 . 1 166 166 ALA N N 15 120.468 0.115 . 1 . . . . . 167 ALA N . 50173 1 640 . 1 . 1 167 167 GLU H H 1 8.185 0.016 . 1 . . . . . 168 GLU H . 50173 1 641 . 1 . 1 167 167 GLU C C 13 181.951 0.036 . 1 . . . . . 168 GLU C . 50173 1 642 . 1 . 1 167 167 GLU CA C 13 61.777 0.023 . 1 . . . . . 168 GLU CA . 50173 1 643 . 1 . 1 167 167 GLU CB C 13 32.012 0.000 . 1 . . . . . 168 GLU CB . 50173 1 644 . 1 . 1 167 167 GLU N N 15 120.401 0.094 . 1 . . . . . 168 GLU N . 50173 1 645 . 1 . 1 168 168 ILE H H 1 7.939 0.012 . 1 . . . . . 169 ILE H . 50173 1 646 . 1 . 1 168 168 ILE C C 13 180.872 0.026 . 1 . . . . . 169 ILE C . 50173 1 647 . 1 . 1 168 168 ILE CA C 13 67.148 0.043 . 1 . . . . . 169 ILE CA . 50173 1 648 . 1 . 1 168 168 ILE CB C 13 41.269 0.000 . 1 . . . . . 169 ILE CB . 50173 1 649 . 1 . 1 168 168 ILE N N 15 122.123 0.086 . 1 . . . . . 169 ILE N . 50173 1 650 . 1 . 1 169 169 LYS H H 1 8.215 0.027 . 1 . . . . . 170 LYS H . 50173 1 651 . 1 . 1 169 169 LYS C C 13 181.026 0.000 . 1 . . . . . 170 LYS C . 50173 1 652 . 1 . 1 169 169 LYS CA C 13 62.798 0.046 . 1 . . . . . 170 LYS CA . 50173 1 653 . 1 . 1 169 169 LYS CB C 13 34.954 0.000 . 1 . . . . . 170 LYS CB . 50173 1 654 . 1 . 1 169 169 LYS N N 15 120.307 0.086 . 1 . . . . . 170 LYS N . 50173 1 655 . 1 . 1 170 170 LYS H H 1 7.739 0.016 . 1 . . . . . 171 LYS H . 50173 1 656 . 1 . 1 170 170 LYS C C 13 180.673 0.041 . 1 . . . . . 171 LYS C . 50173 1 657 . 1 . 1 170 170 LYS CA C 13 61.935 0.037 . 1 . . . . . 171 LYS CA . 50173 1 658 . 1 . 1 170 170 LYS CB C 13 35.228 0.000 . 1 . . . . . 171 LYS CB . 50173 1 659 . 1 . 1 170 170 LYS N N 15 119.180 0.093 . 1 . . . . . 171 LYS N . 50173 1 660 . 1 . 1 171 171 ARG H H 1 7.472 0.026 . 1 . . . . . 172 ARG H . 50173 1 661 . 1 . 1 171 171 ARG C C 13 180.101 0.031 . 1 . . . . . 172 ARG C . 50173 1 662 . 1 . 1 171 171 ARG CA C 13 59.964 0.036 . 1 . . . . . 172 ARG CA . 50173 1 663 . 1 . 1 171 171 ARG CB C 13 32.976 0.000 . 1 . . . . . 172 ARG CB . 50173 1 664 . 1 . 1 171 171 ARG N N 15 118.441 0.112 . 1 . . . . . 172 ARG N . 50173 1 665 . 1 . 1 172 172 MET H H 1 8.034 0.012 . 1 . . . . . 173 MET H . 50173 1 666 . 1 . 1 172 172 MET C C 13 179.257 0.021 . 1 . . . . . 173 MET C . 50173 1 667 . 1 . 1 172 172 MET CA C 13 58.725 0.022 . 1 . . . . . 173 MET CA . 50173 1 668 . 1 . 1 172 172 MET CB C 13 34.833 0.000 . 1 . . . . . 173 MET CB . 50173 1 669 . 1 . 1 172 172 MET N N 15 119.462 0.087 . 1 . . . . . 173 MET N . 50173 1 670 . 1 . 1 173 173 GLY H H 1 7.892 0.013 . 1 . . . . . 174 GLY H . 50173 1 671 . 1 . 1 173 173 GLY CA C 13 49.107 0.000 . 1 . . . . . 174 GLY CA . 50173 1 672 . 1 . 1 173 173 GLY N N 15 115.099 0.103 . 1 . . . . . 174 GLY N . 50173 1 stop_ save_