################################### # 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 18461 _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' . . . 18461 1 2 '3D HN(CO)CA' . . . 18461 1 3 '2D 1H-15N HSQC' . . . 18461 1 4 '3D 1H-15N NOESY' . . . 18461 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 7 7 MET H H 1 8.119 0.001 . 1 . . . . 1 MET HN . 18461 1 2 . 1 1 7 7 MET CA C 13 55.362 0.013 . 1 . . . . 1 MET CA . 18461 1 3 . 1 1 7 7 MET N N 15 121.510 0.038 . 1 . . . . 1 MET N . 18461 1 4 . 1 1 8 8 THR H H 1 8.763 0.004 . 1 . . . . 2 THR HN . 18461 1 5 . 1 1 8 8 THR CA C 13 63.733 0.013 . 1 . . . . 2 THR CA . 18461 1 6 . 1 1 8 8 THR N N 15 124.505 0.078 . 1 . . . . 2 THR N . 18461 1 7 . 1 1 9 9 GLU H H 1 8.341 0.004 . 1 . . . . 3 GLU HN . 18461 1 8 . 1 1 9 9 GLU CA C 13 53.596 0.009 . 1 . . . . 3 GLU CA . 18461 1 9 . 1 1 9 9 GLU N N 15 127.503 0.077 . 1 . . . . 3 GLU N . 18461 1 10 . 1 1 10 10 TYR H H 1 8.703 0.002 . 1 . . . . 4 TYR HN . 18461 1 11 . 1 1 10 10 TYR CA C 13 56.799 0.040 . 1 . . . . 4 TYR CA . 18461 1 12 . 1 1 10 10 TYR N N 15 123.675 0.017 . 1 . . . . 4 TYR N . 18461 1 13 . 1 1 11 11 LYS H H 1 9.145 0.009 . 1 . . . . 5 LYS HN . 18461 1 14 . 1 1 11 11 LYS CA C 13 55.551 0.115 . 1 . . . . 5 LYS CA . 18461 1 15 . 1 1 11 11 LYS N N 15 125.039 0.126 . 1 . . . . 5 LYS N . 18461 1 16 . 1 1 12 12 LEU H H 1 9.256 0.009 . 1 . . . . 6 LEU HN . 18461 1 17 . 1 1 12 12 LEU CA C 13 52.931 0.041 . 1 . . . . 6 LEU CA . 18461 1 18 . 1 1 12 12 LEU N N 15 126.645 0.036 . 1 . . . . 6 LEU N . 18461 1 19 . 1 1 13 13 VAL H H 1 8.194 0.008 . 1 . . . . 7 VAL HN . 18461 1 20 . 1 1 13 13 VAL CA C 13 60.811 0.111 . 1 . . . . 7 VAL CA . 18461 1 21 . 1 1 13 13 VAL N N 15 123.582 0.158 . 1 . . . . 7 VAL N . 18461 1 22 . 1 1 14 14 VAL H H 1 9.043 0.003 . 1 . . . . 8 VAL HN . 18461 1 23 . 1 1 14 14 VAL CA C 13 62.047 0.095 . 1 . . . . 8 VAL CA . 18461 1 24 . 1 1 14 14 VAL N N 15 130.900 0.034 . 1 . . . . 8 VAL N . 18461 1 25 . 1 1 15 15 VAL H H 1 9.144 0.006 . 1 . . . . 9 VAL HN . 18461 1 26 . 1 1 15 15 VAL CA C 13 58.630 0.000 . 1 . . . . 9 VAL CA . 18461 1 27 . 1 1 15 15 VAL N N 15 121.328 0.270 . 1 . . . . 9 VAL N . 18461 1 28 . 1 1 16 16 GLY H H 1 7.697 0.002 . 1 . . . . 10 GLY HN . 18461 1 29 . 1 1 16 16 GLY CA C 13 43.745 0.000 . 1 . . . . 10 GLY CA . 18461 1 30 . 1 1 16 16 GLY N N 15 109.683 0.158 . 1 . . . . 10 GLY N . 18461 1 31 . 1 1 17 17 ALA H H 1 9.067 0.007 . 1 . . . . 11 ALA HN . 18461 1 32 . 1 1 17 17 ALA CA C 13 52.278 0.086 . 1 . . . . 11 ALA CA . 18461 1 33 . 1 1 17 17 ALA N N 15 122.301 0.029 . 1 . . . . 11 ALA N . 18461 1 34 . 1 1 18 18 GLY H H 1 8.378 0.004 . 1 . . . . 12 GLY HN . 18461 1 35 . 1 1 18 18 GLY CA C 13 46.378 0.000 . 1 . . . . 12 GLY CA . 18461 1 36 . 1 1 18 18 GLY N N 15 106.661 0.031 . 1 . . . . 12 GLY N . 18461 1 37 . 1 1 19 19 GLY H H 1 9.165 0.011 . 1 . . . . 13 GLY HN . 18461 1 38 . 1 1 19 19 GLY CA C 13 45.947 0.007 . 1 . . . . 13 GLY CA . 18461 1 39 . 1 1 19 19 GLY N N 15 115.221 0.174 . 1 . . . . 13 GLY N . 18461 1 40 . 1 1 20 20 VAL H H 1 7.443 0.003 . 1 . . . . 14 VAL HN . 18461 1 41 . 1 1 20 20 VAL CA C 13 62.801 0.000 . 1 . . . . 14 VAL CA . 18461 1 42 . 1 1 20 20 VAL N N 15 113.751 0.021 . 1 . . . . 14 VAL N . 18461 1 43 . 1 1 21 21 GLY H H 1 8.283 0.000 . 1 . . . . 15 GLY HN . 18461 1 44 . 1 1 21 21 GLY CA C 13 45.908 0.027 . 1 . . . . 15 GLY CA . 18461 1 45 . 1 1 21 21 GLY N N 15 109.258 0.104 . 1 . . . . 15 GLY N . 18461 1 46 . 1 1 22 22 LYS H H 1 8.884 0.002 . 1 . . . . 16 LYS HN . 18461 1 47 . 1 1 22 22 LYS CA C 13 61.077 0.020 . 1 . . . . 16 LYS CA . 18461 1 48 . 1 1 22 22 LYS N N 15 124.252 0.133 . 1 . . . . 16 LYS N . 18461 1 49 . 1 1 23 23 SER H H 1 9.411 0.011 . 1 . . . . 17 SER HN . 18461 1 50 . 1 1 23 23 SER CA C 13 60.718 0.246 . 1 . . . . 17 SER CA . 18461 1 51 . 1 1 23 23 SER N N 15 121.357 0.164 . 1 . . . . 17 SER N . 18461 1 52 . 1 1 24 24 ALA H H 1 9.683 0.010 . 1 . . . . 18 ALA HN . 18461 1 53 . 1 1 24 24 ALA CA C 13 54.204 0.089 . 1 . . . . 18 ALA CA . 18461 1 54 . 1 1 24 24 ALA N N 15 127.285 0.047 . 1 . . . . 18 ALA N . 18461 1 55 . 1 1 25 25 LEU H H 1 8.856 0.010 . 1 . . . . 19 LEU HN . 18461 1 56 . 1 1 25 25 LEU CA C 13 58.673 0.056 . 1 . . . . 19 LEU CA . 18461 1 57 . 1 1 25 25 LEU N N 15 121.455 0.031 . 1 . . . . 19 LEU N . 18461 1 58 . 1 1 26 26 THR H H 1 7.688 0.004 . 1 . . . . 20 THR HN . 18461 1 59 . 1 1 26 26 THR CA C 13 68.165 0.000 . 1 . . . . 20 THR CA . 18461 1 60 . 1 1 26 26 THR N N 15 118.475 0.016 . 1 . . . . 20 THR N . 18461 1 61 . 1 1 27 27 ILE H H 1 9.308 0.002 . 1 . . . . 21 ILE HN . 18461 1 62 . 1 1 27 27 ILE CA C 13 65.137 0.000 . 1 . . . . 21 ILE CA . 18461 1 63 . 1 1 27 27 ILE N N 15 122.611 0.081 . 1 . . . . 21 ILE N . 18461 1 64 . 1 1 28 28 GLN H H 1 7.862 0.012 . 1 . . . . 22 GLN HN . 18461 1 65 . 1 1 28 28 GLN CA C 13 59.165 0.046 . 1 . . . . 22 GLN CA . 18461 1 66 . 1 1 28 28 GLN N N 15 122.132 0.089 . 1 . . . . 22 GLN N . 18461 1 67 . 1 1 29 29 LEU H H 1 7.646 0.003 . 1 . . . . 23 LEU HN . 18461 1 68 . 1 1 29 29 LEU CA C 13 58.101 0.000 . 1 . . . . 23 LEU CA . 18461 1 69 . 1 1 29 29 LEU N N 15 122.543 0.031 . 1 . . . . 23 LEU N . 18461 1 70 . 1 1 30 30 ILE H H 1 8.133 0.002 . 1 . . . . 24 ILE HN . 18461 1 71 . 1 1 30 30 ILE CA C 13 62.290 0.047 . 1 . . . . 24 ILE CA . 18461 1 72 . 1 1 30 30 ILE N N 15 115.400 0.093 . 1 . . . . 24 ILE N . 18461 1 73 . 1 1 31 31 GLN H H 1 9.006 0.002 . 1 . . . . 25 GLN HN . 18461 1 74 . 1 1 31 31 GLN CA C 13 54.280 0.000 . 1 . . . . 25 GLN CA . 18461 1 75 . 1 1 31 31 GLN N N 15 120.136 0.011 . 1 . . . . 25 GLN N . 18461 1 76 . 1 1 32 32 ASN H H 1 8.106 0.000 . 1 . . . . 26 ASN HN . 18461 1 77 . 1 1 32 32 ASN CA C 13 54.372 0.000 . 1 . . . . 26 ASN CA . 18461 1 78 . 1 1 32 32 ASN N N 15 118.387 0.000 . 1 . . . . 26 ASN N . 18461 1 79 . 1 1 33 33 HIS H H 1 6.686 0.002 . 1 . . . . 27 HIS HN . 18461 1 80 . 1 1 33 33 HIS CA C 13 54.655 0.095 . 1 . . . . 27 HIS CA . 18461 1 81 . 1 1 33 33 HIS N N 15 114.840 0.085 . 1 . . . . 27 HIS N . 18461 1 82 . 1 1 34 34 PHE H H 1 8.321 0.002 . 1 . . . . 28 PHE HN . 18461 1 83 . 1 1 34 34 PHE CA C 13 54.562 0.112 . 1 . . . . 28 PHE CA . 18461 1 84 . 1 1 34 34 PHE N N 15 125.392 0.115 . 1 . . . . 28 PHE N . 18461 1 85 . 1 1 35 35 VAL H H 1 7.741 0.025 . 1 . . . . 29 VAL HN . 18461 1 86 . 1 1 35 35 VAL CA C 13 59.269 0.000 . 1 . . . . 29 VAL CA . 18461 1 87 . 1 1 35 35 VAL N N 15 128.385 0.268 . 1 . . . . 29 VAL N . 18461 1 88 . 1 1 36 36 ASP H H 1 7.788 0.001 . 1 . . . . 30 ASP HN . 18461 1 89 . 1 1 36 36 ASP CA C 13 54.579 0.000 . 1 . . . . 30 ASP CA . 18461 1 90 . 1 1 36 36 ASP N N 15 125.202 0.321 . 1 . . . . 30 ASP N . 18461 1 91 . 1 1 37 37 GLU CA C 13 55.870 0.000 . 1 . . . . 31 GLU CA . 18461 1 92 . 1 1 38 38 TYR H H 1 8.843 0.003 . 1 . . . . 32 TYR HN . 18461 1 93 . 1 1 38 38 TYR CA C 13 54.429 0.000 . 1 . . . . 32 TYR CA . 18461 1 94 . 1 1 38 38 TYR N N 15 124.023 0.196 . 1 . . . . 32 TYR N . 18461 1 95 . 1 1 39 39 ASP H H 1 8.258 0.002 . 1 . . . . 33 ASP HN . 18461 1 96 . 1 1 39 39 ASP N N 15 121.636 0.083 . 1 . . . . 33 ASP N . 18461 1 97 . 1 1 41 41 THR H H 1 9.998 0.001 . 1 . . . . 35 THR HN . 18461 1 98 . 1 1 41 41 THR CA C 13 63.940 0.000 . 1 . . . . 35 THR CA . 18461 1 99 . 1 1 41 41 THR N N 15 127.575 0.230 . 1 . . . . 35 THR N . 18461 1 100 . 1 1 42 42 ILE H H 1 8.623 0.000 . 1 . . . . 36 ILE HN . 18461 1 101 . 1 1 42 42 ILE CA C 13 64.388 0.061 . 1 . . . . 36 ILE CA . 18461 1 102 . 1 1 42 42 ILE N N 15 125.154 0.024 . 1 . . . . 36 ILE N . 18461 1 103 . 1 1 43 43 GLU H H 1 7.869 0.006 . 1 . . . . 37 GLU HN . 18461 1 104 . 1 1 43 43 GLU CA C 13 57.675 0.008 . 1 . . . . 37 GLU CA . 18461 1 105 . 1 1 43 43 GLU N N 15 119.193 0.124 . 1 . . . . 37 GLU N . 18461 1 106 . 1 1 44 44 ASP H H 1 8.017 0.002 . 1 . . . . 38 ASP HN . 18461 1 107 . 1 1 44 44 ASP CA C 13 54.593 0.053 . 1 . . . . 38 ASP CA . 18461 1 108 . 1 1 44 44 ASP N N 15 126.929 0.144 . 1 . . . . 38 ASP N . 18461 1 109 . 1 1 45 45 SER H H 1 9.087 0.008 . 1 . . . . 39 SER HN . 18461 1 110 . 1 1 45 45 SER CA C 13 55.869 0.015 . 1 . . . . 39 SER CA . 18461 1 111 . 1 1 45 45 SER N N 15 117.442 0.144 . 1 . . . . 39 SER N . 18461 1 112 . 1 1 46 46 TYR H H 1 9.203 0.005 . 1 . . . . 40 TYR HN . 18461 1 113 . 1 1 46 46 TYR CA C 13 56.553 0.066 . 1 . . . . 40 TYR CA . 18461 1 114 . 1 1 46 46 TYR N N 15 122.104 0.108 . 1 . . . . 40 TYR N . 18461 1 115 . 1 1 47 47 ARG H H 1 8.247 0.008 . 1 . . . . 41 ARG HN . 18461 1 116 . 1 1 47 47 ARG CA C 13 54.134 0.005 . 1 . . . . 41 ARG CA . 18461 1 117 . 1 1 47 47 ARG N N 15 121.363 0.035 . 1 . . . . 41 ARG N . 18461 1 118 . 1 1 48 48 LYS H H 1 8.787 0.003 . 1 . . . . 42 LYS HN . 18461 1 119 . 1 1 48 48 LYS CA C 13 55.462 0.078 . 1 . . . . 42 LYS CA . 18461 1 120 . 1 1 48 48 LYS N N 15 125.038 0.067 . 1 . . . . 42 LYS N . 18461 1 121 . 1 1 49 49 GLN H H 1 8.950 0.004 . 1 . . . . 43 GLN HN . 18461 1 122 . 1 1 49 49 GLN CA C 13 55.540 0.047 . 1 . . . . 43 GLN CA . 18461 1 123 . 1 1 49 49 GLN N N 15 130.685 0.082 . 1 . . . . 43 GLN N . 18461 1 124 . 1 1 50 50 VAL H H 1 9.101 0.004 . 1 . . . . 44 VAL HN . 18461 1 125 . 1 1 50 50 VAL CA C 13 59.451 0.005 . 1 . . . . 44 VAL CA . 18461 1 126 . 1 1 50 50 VAL N N 15 121.818 0.122 . 1 . . . . 44 VAL N . 18461 1 127 . 1 1 51 51 VAL H H 1 8.081 0.003 . 1 . . . . 45 VAL HN . 18461 1 128 . 1 1 51 51 VAL CA C 13 61.654 0.112 . 1 . . . . 45 VAL CA . 18461 1 129 . 1 1 51 51 VAL N N 15 122.107 0.092 . 1 . . . . 45 VAL N . 18461 1 130 . 1 1 52 52 ILE H H 1 8.195 0.005 . 1 . . . . 46 ILE HN . 18461 1 131 . 1 1 52 52 ILE CA C 13 60.249 0.143 . 1 . . . . 46 ILE CA . 18461 1 132 . 1 1 52 52 ILE N N 15 126.799 0.119 . 1 . . . . 46 ILE N . 18461 1 133 . 1 1 53 53 ASP H H 1 9.568 0.017 . 1 . . . . 47 ASP HN . 18461 1 134 . 1 1 53 53 ASP CA C 13 55.243 0.019 . 1 . . . . 47 ASP CA . 18461 1 135 . 1 1 53 53 ASP N N 15 131.892 0.066 . 1 . . . . 47 ASP N . 18461 1 136 . 1 1 54 54 GLY H H 1 8.346 0.002 . 1 . . . . 48 GLY HN . 18461 1 137 . 1 1 54 54 GLY CA C 13 45.148 0.014 . 1 . . . . 48 GLY CA . 18461 1 138 . 1 1 54 54 GLY N N 15 104.410 0.100 . 1 . . . . 48 GLY N . 18461 1 139 . 1 1 55 55 GLU H H 1 7.705 0.008 . 1 . . . . 49 GLU HN . 18461 1 140 . 1 1 55 55 GLU CA C 13 54.683 0.055 . 1 . . . . 49 GLU CA . 18461 1 141 . 1 1 55 55 GLU N N 15 123.609 0.072 . 1 . . . . 49 GLU N . 18461 1 142 . 1 1 56 56 THR H H 1 8.962 0.005 . 1 . . . . 50 THR HN . 18461 1 143 . 1 1 56 56 THR CA C 13 63.727 0.022 . 1 . . . . 50 THR CA . 18461 1 144 . 1 1 56 56 THR N N 15 126.953 0.089 . 1 . . . . 50 THR N . 18461 1 145 . 1 1 57 57 CYS H H 1 9.472 0.009 . 1 . . . . 51 CYS HN . 18461 1 146 . 1 1 57 57 CYS CA C 13 56.338 0.007 . 1 . . . . 51 CYS CA . 18461 1 147 . 1 1 57 57 CYS N N 15 124.896 0.273 . 1 . . . . 51 CYS N . 18461 1 148 . 1 1 58 58 LEU H H 1 8.832 0.001 . 1 . . . . 52 LEU HN . 18461 1 149 . 1 1 58 58 LEU CA C 13 53.443 0.039 . 1 . . . . 52 LEU CA . 18461 1 150 . 1 1 58 58 LEU N N 15 123.305 0.093 . 1 . . . . 52 LEU N . 18461 1 151 . 1 1 59 59 LEU H H 1 9.065 0.004 . 1 . . . . 53 LEU HN . 18461 1 152 . 1 1 59 59 LEU CA C 13 53.520 0.000 . 1 . . . . 53 LEU CA . 18461 1 153 . 1 1 59 59 LEU N N 15 124.300 0.046 . 1 . . . . 53 LEU N . 18461 1 154 . 1 1 60 60 ASP H H 1 8.910 0.003 . 1 . . . . 54 ASP HN . 18461 1 155 . 1 1 60 60 ASP CA C 13 53.096 0.210 . 1 . . . . 54 ASP CA . 18461 1 156 . 1 1 60 60 ASP N N 15 127.880 0.009 . 1 . . . . 54 ASP N . 18461 1 157 . 1 1 61 61 ILE H H 1 9.596 0.006 . 1 . . . . 55 ILE HN . 18461 1 158 . 1 1 61 61 ILE CA C 13 60.660 0.000 . 1 . . . . 55 ILE CA . 18461 1 159 . 1 1 61 61 ILE N N 15 126.166 0.055 . 1 . . . . 55 ILE N . 18461 1 160 . 1 1 62 62 LEU H H 1 9.030 0.003 . 1 . . . . 56 LEU HN . 18461 1 161 . 1 1 62 62 LEU CA C 13 53.882 0.000 . 1 . . . . 56 LEU CA . 18461 1 162 . 1 1 62 62 LEU N N 15 130.877 0.006 . 1 . . . . 56 LEU N . 18461 1 163 . 1 1 63 63 ASP H H 1 9.500 0.014 . 1 . . . . 57 ASP HN . 18461 1 164 . 1 1 63 63 ASP CA C 13 53.489 0.069 . 1 . . . . 57 ASP CA . 18461 1 165 . 1 1 63 63 ASP N N 15 130.740 0.038 . 1 . . . . 57 ASP N . 18461 1 166 . 1 1 64 64 THR H H 1 6.848 0.004 . 1 . . . . 58 THR HN . 18461 1 167 . 1 1 64 64 THR CA C 13 60.138 0.034 . 1 . . . . 58 THR CA . 18461 1 168 . 1 1 64 64 THR N N 15 112.651 0.061 . 1 . . . . 58 THR N . 18461 1 169 . 1 1 65 65 ALA H H 1 7.595 0.025 . 1 . . . . 59 ALA HN . 18461 1 170 . 1 1 65 65 ALA CA C 13 52.364 0.086 . 1 . . . . 59 ALA CA . 18461 1 171 . 1 1 65 65 ALA N N 15 121.334 0.096 . 1 . . . . 59 ALA N . 18461 1 172 . 1 1 66 66 GLY H H 1 9.502 0.006 . 1 . . . . 60 GLY HN . 18461 1 173 . 1 1 66 66 GLY CA C 13 45.780 0.000 . 1 . . . . 60 GLY CA . 18461 1 174 . 1 1 66 66 GLY N N 15 116.005 0.048 . 1 . . . . 60 GLY N . 18461 1 175 . 1 1 67 67 GLN H H 1 8.411 0.008 . 1 . . . . 61 GLN HN . 18461 1 176 . 1 1 67 67 GLN CA C 13 56.661 0.066 . 1 . . . . 61 GLN CA . 18461 1 177 . 1 1 67 67 GLN N N 15 121.490 0.035 . 1 . . . . 61 GLN N . 18461 1 178 . 1 1 68 68 GLU H H 1 8.919 0.007 . 1 . . . . 62 GLU HN . 18461 1 179 . 1 1 68 68 GLU CA C 13 58.700 0.065 . 1 . . . . 62 GLU CA . 18461 1 180 . 1 1 68 68 GLU N N 15 126.125 0.091 . 1 . . . . 62 GLU N . 18461 1 181 . 1 1 69 69 GLU H H 1 9.136 0.006 . 1 . . . . 63 GLU HN . 18461 1 182 . 1 1 69 69 GLU N N 15 121.768 0.081 . 1 . . . . 63 GLU N . 18461 1 183 . 1 1 70 70 TYR H H 1 7.743 0.000 . 1 . . . . 64 TYR HN . 18461 1 184 . 1 1 70 70 TYR CA C 13 57.418 0.078 . 1 . . . . 64 TYR CA . 18461 1 185 . 1 1 70 70 TYR N N 15 119.251 0.098 . 1 . . . . 64 TYR N . 18461 1 186 . 1 1 71 71 SER H H 1 7.992 0.007 . 1 . . . . 65 SER HN . 18461 1 187 . 1 1 71 71 SER CA C 13 60.920 0.026 . 1 . . . . 65 SER CA . 18461 1 188 . 1 1 71 71 SER N N 15 119.075 0.129 . 1 . . . . 65 SER N . 18461 1 189 . 1 1 72 72 ALA H H 1 8.713 0.003 . 1 . . . . 66 ALA HN . 18461 1 190 . 1 1 72 72 ALA CA C 13 54.400 0.101 . 1 . . . . 66 ALA CA . 18461 1 191 . 1 1 72 72 ALA N N 15 126.106 0.074 . 1 . . . . 66 ALA N . 18461 1 192 . 1 1 73 73 MET H H 1 7.905 0.004 . 1 . . . . 67 MET HN . 18461 1 193 . 1 1 73 73 MET CA C 13 56.841 0.054 . 1 . . . . 67 MET CA . 18461 1 194 . 1 1 73 73 MET N N 15 117.330 0.042 . 1 . . . . 67 MET N . 18461 1 195 . 1 1 74 74 ARG H H 1 7.695 0.003 . 1 . . . . 68 ARG HN . 18461 1 196 . 1 1 74 74 ARG CA C 13 58.843 0.108 . 1 . . . . 68 ARG CA . 18461 1 197 . 1 1 74 74 ARG N N 15 120.157 0.263 . 1 . . . . 68 ARG N . 18461 1 198 . 1 1 75 75 ASP H H 1 8.076 0.004 . 1 . . . . 69 ASP HN . 18461 1 199 . 1 1 75 75 ASP CA C 13 57.668 0.009 . 1 . . . . 69 ASP CA . 18461 1 200 . 1 1 75 75 ASP N N 15 118.962 0.070 . 1 . . . . 69 ASP N . 18461 1 201 . 1 1 76 76 GLN H H 1 7.677 0.001 . 1 . . . . 70 GLN HN . 18461 1 202 . 1 1 76 76 GLN CA C 13 58.818 0.000 . 1 . . . . 70 GLN CA . 18461 1 203 . 1 1 76 76 GLN N N 15 117.236 0.120 . 1 . . . . 70 GLN N . 18461 1 204 . 1 1 77 77 TYR H H 1 7.625 0.002 . 1 . . . . 71 TYR HN . 18461 1 205 . 1 1 77 77 TYR CA C 13 58.502 0.000 . 1 . . . . 71 TYR CA . 18461 1 206 . 1 1 77 77 TYR N N 15 117.420 0.009 . 1 . . . . 71 TYR N . 18461 1 207 . 1 1 78 78 MET H H 1 8.363 0.002 . 1 . . . . 72 MET HN . 18461 1 208 . 1 1 78 78 MET CA C 13 59.114 0.046 . 1 . . . . 72 MET CA . 18461 1 209 . 1 1 78 78 MET N N 15 122.385 0.047 . 1 . . . . 72 MET N . 18461 1 210 . 1 1 79 79 ARG H H 1 7.805 0.016 . 1 . . . . 73 ARG HN . 18461 1 211 . 1 1 79 79 ARG CA C 13 59.579 0.004 . 1 . . . . 73 ARG CA . 18461 1 212 . 1 1 79 79 ARG N N 15 118.215 0.142 . 1 . . . . 73 ARG N . 18461 1 213 . 1 1 80 80 THR H H 1 7.464 0.004 . 1 . . . . 74 THR HN . 18461 1 214 . 1 1 80 80 THR CA C 13 62.570 0.017 . 1 . . . . 74 THR CA . 18461 1 215 . 1 1 80 80 THR N N 15 108.133 0.105 . 1 . . . . 74 THR N . 18461 1 216 . 1 1 81 81 GLY H H 1 7.720 0.001 . 1 . . . . 75 GLY HN . 18461 1 217 . 1 1 81 81 GLY CA C 13 46.424 0.031 . 1 . . . . 75 GLY CA . 18461 1 218 . 1 1 81 81 GLY N N 15 108.531 0.170 . 1 . . . . 75 GLY N . 18461 1 219 . 1 1 82 82 GLU H H 1 8.798 0.009 . 1 . . . . 76 GLU HN . 18461 1 220 . 1 1 82 82 GLU CA C 13 56.468 0.142 . 1 . . . . 76 GLU CA . 18461 1 221 . 1 1 82 82 GLU N N 15 122.178 0.107 . 1 . . . . 76 GLU N . 18461 1 222 . 1 1 83 83 GLY H H 1 7.235 0.020 . 1 . . . . 77 GLY HN . 18461 1 223 . 1 1 83 83 GLY CA C 13 45.429 0.076 . 1 . . . . 77 GLY CA . 18461 1 224 . 1 1 83 83 GLY N N 15 102.632 0.119 . 1 . . . . 77 GLY N . 18461 1 225 . 1 1 84 84 PHE H H 1 8.245 0.002 . 1 . . . . 78 PHE HN . 18461 1 226 . 1 1 84 84 PHE CA C 13 56.893 0.109 . 1 . . . . 78 PHE CA . 18461 1 227 . 1 1 84 84 PHE N N 15 122.441 0.140 . 1 . . . . 78 PHE N . 18461 1 228 . 1 1 85 85 LEU H H 1 9.260 0.016 . 1 . . . . 79 LEU HN . 18461 1 229 . 1 1 85 85 LEU CA C 13 54.031 0.127 . 1 . . . . 79 LEU CA . 18461 1 230 . 1 1 85 85 LEU N N 15 128.124 0.072 . 1 . . . . 79 LEU N . 18461 1 231 . 1 1 86 86 CYS H H 1 8.763 0.001 . 1 . . . . 80 CYS HN . 18461 1 232 . 1 1 86 86 CYS CA C 13 57.669 0.019 . 1 . . . . 80 CYS CA . 18461 1 233 . 1 1 86 86 CYS N N 15 125.795 0.173 . 1 . . . . 80 CYS N . 18461 1 234 . 1 1 87 87 VAL H H 1 9.129 0.001 . 1 . . . . 81 VAL HN . 18461 1 235 . 1 1 87 87 VAL CA C 13 61.310 0.141 . 1 . . . . 81 VAL CA . 18461 1 236 . 1 1 87 87 VAL N N 15 127.259 0.094 . 1 . . . . 81 VAL N . 18461 1 237 . 1 1 88 88 PHE H H 1 9.272 0.007 . 1 . . . . 82 PHE HN . 18461 1 238 . 1 1 88 88 PHE CA C 13 55.336 0.011 . 1 . . . . 82 PHE CA . 18461 1 239 . 1 1 88 88 PHE N N 15 124.992 0.098 . 1 . . . . 82 PHE N . 18461 1 240 . 1 1 89 89 ALA H H 1 8.688 0.009 . 1 . . . . 83 ALA HN . 18461 1 241 . 1 1 89 89 ALA CA C 13 49.670 0.011 . 1 . . . . 83 ALA CA . 18461 1 242 . 1 1 89 89 ALA N N 15 122.112 0.266 . 1 . . . . 83 ALA N . 18461 1 243 . 1 1 90 90 ILE H H 1 8.525 0.004 . 1 . . . . 84 ILE HN . 18461 1 244 . 1 1 90 90 ILE CA C 13 63.300 0.045 . 1 . . . . 84 ILE CA . 18461 1 245 . 1 1 90 90 ILE N N 15 114.661 0.110 . 1 . . . . 84 ILE N . 18461 1 246 . 1 1 91 91 ASN H H 1 7.898 0.002 . 1 . . . . 85 ASN HN . 18461 1 247 . 1 1 91 91 ASN CA C 13 52.019 0.094 . 1 . . . . 85 ASN CA . 18461 1 248 . 1 1 91 91 ASN N N 15 118.132 0.032 . 1 . . . . 85 ASN N . 18461 1 249 . 1 1 92 92 ASN H H 1 7.933 0.002 . 1 . . . . 86 ASN HN . 18461 1 250 . 1 1 92 92 ASN CA C 13 51.803 0.000 . 1 . . . . 86 ASN CA . 18461 1 251 . 1 1 92 92 ASN N N 15 120.412 0.006 . 1 . . . . 86 ASN N . 18461 1 252 . 1 1 93 93 THR H H 1 9.271 0.000 . 1 . . . . 87 THR HN . 18461 1 253 . 1 1 93 93 THR CA C 13 66.708 0.000 . 1 . . . . 87 THR CA . 18461 1 254 . 1 1 93 93 THR N N 15 125.587 0.000 . 1 . . . . 87 THR N . 18461 1 255 . 1 1 94 94 LYS H H 1 8.458 0.006 . 1 . . . . 88 LYS HN . 18461 1 256 . 1 1 94 94 LYS CA C 13 59.334 0.087 . 1 . . . . 88 LYS CA . 18461 1 257 . 1 1 94 94 LYS N N 15 125.329 0.059 . 1 . . . . 88 LYS N . 18461 1 258 . 1 1 95 95 SER H H 1 8.006 0.003 . 1 . . . . 89 SER HN . 18461 1 259 . 1 1 95 95 SER CA C 13 61.615 0.000 . 1 . . . . 89 SER CA . 18461 1 260 . 1 1 95 95 SER N N 15 115.547 0.233 . 1 . . . . 89 SER N . 18461 1 261 . 1 1 96 96 PHE H H 1 7.447 0.004 . 1 . . . . 90 PHE HN . 18461 1 262 . 1 1 96 96 PHE CA C 13 59.624 0.193 . 1 . . . . 90 PHE CA . 18461 1 263 . 1 1 96 96 PHE N N 15 126.142 0.012 . 1 . . . . 90 PHE N . 18461 1 264 . 1 1 97 97 GLU H H 1 8.398 0.016 . 1 . . . . 91 GLU HN . 18461 1 265 . 1 1 97 97 GLU CA C 13 59.102 0.000 . 1 . . . . 91 GLU CA . 18461 1 266 . 1 1 97 97 GLU N N 15 122.769 0.081 . 1 . . . . 91 GLU N . 18461 1 267 . 1 1 98 98 ASP H H 1 8.601 0.006 . 1 . . . . 92 ASP HN . 18461 1 268 . 1 1 98 98 ASP CA C 13 56.340 0.044 . 1 . . . . 92 ASP CA . 18461 1 269 . 1 1 98 98 ASP N N 15 119.097 0.016 . 1 . . . . 92 ASP N . 18461 1 270 . 1 1 99 99 ILE H H 1 7.596 0.005 . 1 . . . . 93 ILE HN . 18461 1 271 . 1 1 99 99 ILE CA C 13 62.100 0.022 . 1 . . . . 93 ILE CA . 18461 1 272 . 1 1 99 99 ILE N N 15 121.598 0.067 . 1 . . . . 93 ILE N . 18461 1 273 . 1 1 100 100 HIS H H 1 7.746 0.001 . 1 . . . . 94 HIS HN . 18461 1 274 . 1 1 100 100 HIS CA C 13 59.892 0.085 . 1 . . . . 94 HIS CA . 18461 1 275 . 1 1 100 100 HIS N N 15 118.606 0.117 . 1 . . . . 94 HIS N . 18461 1 276 . 1 1 101 101 GLN H H 1 7.427 0.003 . 1 . . . . 95 GLN HN . 18461 1 277 . 1 1 101 101 GLN CA C 13 58.382 0.024 . 1 . . . . 95 GLN CA . 18461 1 278 . 1 1 101 101 GLN N N 15 117.455 0.045 . 1 . . . . 95 GLN N . 18461 1 279 . 1 1 102 102 TYR H H 1 7.642 0.006 . 1 . . . . 96 TYR HN . 18461 1 280 . 1 1 102 102 TYR CA C 13 63.128 0.000 . 1 . . . . 96 TYR CA . 18461 1 281 . 1 1 102 102 TYR N N 15 120.251 0.083 . 1 . . . . 96 TYR N . 18461 1 282 . 1 1 103 103 ARG H H 1 8.416 0.005 . 1 . . . . 97 ARG HN . 18461 1 283 . 1 1 103 103 ARG CA C 13 59.990 0.067 . 1 . . . . 97 ARG CA . 18461 1 284 . 1 1 103 103 ARG N N 15 119.948 0.023 . 1 . . . . 97 ARG N . 18461 1 285 . 1 1 104 104 GLU H H 1 8.007 0.004 . 1 . . . . 98 GLU HN . 18461 1 286 . 1 1 104 104 GLU CA C 13 58.974 0.072 . 1 . . . . 98 GLU CA . 18461 1 287 . 1 1 104 104 GLU N N 15 118.060 0.070 . 1 . . . . 98 GLU N . 18461 1 288 . 1 1 105 105 GLN H H 1 7.903 0.004 . 1 . . . . 99 GLN HN . 18461 1 289 . 1 1 105 105 GLN CA C 13 59.157 0.006 . 1 . . . . 99 GLN CA . 18461 1 290 . 1 1 105 105 GLN N N 15 121.823 0.083 . 1 . . . . 99 GLN N . 18461 1 291 . 1 1 106 106 ILE H H 1 8.083 0.000 . 1 . . . . 100 ILE HN . 18461 1 292 . 1 1 106 106 ILE CA C 13 66.005 0.042 . 1 . . . . 100 ILE CA . 18461 1 293 . 1 1 106 106 ILE N N 15 121.317 0.047 . 1 . . . . 100 ILE N . 18461 1 294 . 1 1 107 107 LYS H H 1 7.805 0.004 . 1 . . . . 101 LYS HN . 18461 1 295 . 1 1 107 107 LYS CA C 13 59.573 0.002 . 1 . . . . 101 LYS CA . 18461 1 296 . 1 1 107 107 LYS N N 15 118.153 0.032 . 1 . . . . 101 LYS N . 18461 1 297 . 1 1 108 108 ARG H H 1 7.753 0.003 . 1 . . . . 102 ARG HN . 18461 1 298 . 1 1 108 108 ARG CA C 13 59.203 0.064 . 1 . . . . 102 ARG CA . 18461 1 299 . 1 1 108 108 ARG N N 15 119.788 0.262 . 1 . . . . 102 ARG N . 18461 1 300 . 1 1 109 109 VAL H H 1 8.428 0.012 . 1 . . . . 103 VAL HN . 18461 1 301 . 1 1 109 109 VAL CA C 13 65.517 0.131 . 1 . . . . 103 VAL CA . 18461 1 302 . 1 1 109 109 VAL N N 15 119.549 0.130 . 1 . . . . 103 VAL N . 18461 1 303 . 1 1 110 110 LYS H H 1 8.166 0.006 . 1 . . . . 104 LYS HN . 18461 1 304 . 1 1 110 110 LYS CA C 13 55.020 0.020 . 1 . . . . 104 LYS CA . 18461 1 305 . 1 1 110 110 LYS N N 15 117.298 0.026 . 1 . . . . 104 LYS N . 18461 1 306 . 1 1 111 111 ASP H H 1 7.938 0.002 . 1 . . . . 105 ASP HN . 18461 1 307 . 1 1 111 111 ASP CA C 13 54.454 0.006 . 1 . . . . 105 ASP CA . 18461 1 308 . 1 1 111 111 ASP N N 15 122.165 0.089 . 1 . . . . 105 ASP N . 18461 1 309 . 1 1 112 112 SER H H 1 7.555 0.004 . 1 . . . . 106 SER HN . 18461 1 310 . 1 1 112 112 SER CA C 13 56.774 0.040 . 1 . . . . 106 SER CA . 18461 1 311 . 1 1 112 112 SER N N 15 110.342 0.030 . 1 . . . . 106 SER N . 18461 1 312 . 1 1 113 113 ASP H H 1 8.395 0.006 . 1 . . . . 107 ASP HN . 18461 1 313 . 1 1 113 113 ASP CA C 13 54.331 0.052 . 1 . . . . 107 ASP CA . 18461 1 314 . 1 1 113 113 ASP N N 15 123.525 0.000 . 1 . . . . 107 ASP N . 18461 1 315 . 1 1 114 114 ASP H H 1 8.427 0.003 . 1 . . . . 108 ASP HN . 18461 1 316 . 1 1 114 114 ASP CA C 13 53.048 0.004 . 1 . . . . 108 ASP CA . 18461 1 317 . 1 1 114 114 ASP N N 15 122.282 0.010 . 1 . . . . 108 ASP N . 18461 1 318 . 1 1 115 115 VAL H H 1 7.649 0.001 . 1 . . . . 109 VAL HN . 18461 1 319 . 1 1 115 115 VAL CA C 13 59.131 0.000 . 1 . . . . 109 VAL CA . 18461 1 320 . 1 1 115 115 VAL N N 15 123.666 0.024 . 1 . . . . 109 VAL N . 18461 1 321 . 1 1 116 116 PRO CA C 13 63.866 0.000 . 1 . . . . 110 PRO CA . 18461 1 322 . 1 1 117 117 MET H H 1 8.310 0.005 . 1 . . . . 111 MET HN . 18461 1 323 . 1 1 117 117 MET CA C 13 54.933 0.000 . 1 . . . . 111 MET CA . 18461 1 324 . 1 1 117 117 MET N N 15 124.340 0.068 . 1 . . . . 111 MET N . 18461 1 325 . 1 1 118 118 VAL H H 1 8.149 0.000 . 1 . . . . 112 VAL HN . 18461 1 326 . 1 1 118 118 VAL CA C 13 61.012 0.014 . 1 . . . . 112 VAL CA . 18461 1 327 . 1 1 118 118 VAL N N 15 119.802 0.038 . 1 . . . . 112 VAL N . 18461 1 328 . 1 1 119 119 LEU H H 1 8.914 0.007 . 1 . . . . 113 LEU HN . 18461 1 329 . 1 1 119 119 LEU CA C 13 53.877 0.031 . 1 . . . . 113 LEU CA . 18461 1 330 . 1 1 119 119 LEU N N 15 130.172 0.150 . 1 . . . . 113 LEU N . 18461 1 331 . 1 1 120 120 VAL H H 1 9.229 0.004 . 1 . . . . 114 VAL HN . 18461 1 332 . 1 1 120 120 VAL CA C 13 60.094 0.010 . 1 . . . . 114 VAL CA . 18461 1 333 . 1 1 120 120 VAL N N 15 129.484 0.127 . 1 . . . . 114 VAL N . 18461 1 334 . 1 1 121 121 GLY H H 1 8.059 0.002 . 1 . . . . 115 GLY HN . 18461 1 335 . 1 1 121 121 GLY CA C 13 45.271 0.000 . 1 . . . . 115 GLY CA . 18461 1 336 . 1 1 121 121 GLY N N 15 115.904 0.205 . 1 . . . . 115 GLY N . 18461 1 337 . 1 1 122 122 ASN H H 1 8.733 0.006 . 1 . . . . 116 ASN HN . 18461 1 338 . 1 1 122 122 ASN CA C 13 51.398 0.000 . 1 . . . . 116 ASN CA . 18461 1 339 . 1 1 122 122 ASN N N 15 122.414 0.035 . 1 . . . . 116 ASN N . 18461 1 340 . 1 1 123 123 LYS H H 1 7.344 0.005 . 1 . . . . 117 LYS HN . 18461 1 341 . 1 1 123 123 LYS CA C 13 57.274 0.082 . 1 . . . . 117 LYS CA . 18461 1 342 . 1 1 123 123 LYS N N 15 113.325 0.023 . 1 . . . . 117 LYS N . 18461 1 343 . 1 1 124 124 CYS H H 1 8.696 0.006 . 1 . . . . 118 CYS HN . 18461 1 344 . 1 1 124 124 CYS CA C 13 60.962 0.000 . 1 . . . . 118 CYS CA . 18461 1 345 . 1 1 124 124 CYS N N 15 115.196 0.047 . 1 . . . . 118 CYS N . 18461 1 346 . 1 1 125 125 ASP H H 1 8.575 0.006 . 1 . . . . 119 ASP HN . 18461 1 347 . 1 1 125 125 ASP CA C 13 53.950 0.002 . 1 . . . . 119 ASP CA . 18461 1 348 . 1 1 125 125 ASP N N 15 118.325 0.099 . 1 . . . . 119 ASP N . 18461 1 349 . 1 1 126 126 LEU H H 1 7.792 0.004 . 1 . . . . 120 LEU HN . 18461 1 350 . 1 1 126 126 LEU CA C 13 54.648 0.079 . 1 . . . . 120 LEU CA . 18461 1 351 . 1 1 126 126 LEU N N 15 122.072 0.085 . 1 . . . . 120 LEU N . 18461 1 352 . 1 1 127 127 ALA H H 1 8.156 0.005 . 1 . . . . 121 ALA HN . 18461 1 353 . 1 1 127 127 ALA CA C 13 53.019 0.011 . 1 . . . . 121 ALA CA . 18461 1 354 . 1 1 127 127 ALA N N 15 123.996 0.052 . 1 . . . . 121 ALA N . 18461 1 355 . 1 1 128 128 ALA H H 1 7.703 0.002 . 1 . . . . 122 ALA HN . 18461 1 356 . 1 1 128 128 ALA CA C 13 51.182 0.003 . 1 . . . . 122 ALA CA . 18461 1 357 . 1 1 128 128 ALA N N 15 123.006 0.052 . 1 . . . . 122 ALA N . 18461 1 358 . 1 1 129 129 ARG H H 1 7.990 0.003 . 1 . . . . 123 ARG HN . 18461 1 359 . 1 1 129 129 ARG CA C 13 55.677 0.000 . 1 . . . . 123 ARG CA . 18461 1 360 . 1 1 129 129 ARG N N 15 121.475 0.022 . 1 . . . . 123 ARG N . 18461 1 361 . 1 1 130 130 THR H H 1 9.153 0.000 . 1 . . . . 124 THR HN . 18461 1 362 . 1 1 130 130 THR CA C 13 61.684 0.000 . 1 . . . . 124 THR CA . 18461 1 363 . 1 1 130 130 THR N N 15 115.855 0.000 . 1 . . . . 124 THR N . 18461 1 364 . 1 1 131 131 VAL H H 1 7.640 0.003 . 1 . . . . 125 VAL HN . 18461 1 365 . 1 1 131 131 VAL CA C 13 61.442 0.040 . 1 . . . . 125 VAL CA . 18461 1 366 . 1 1 131 131 VAL N N 15 125.744 0.044 . 1 . . . . 125 VAL N . 18461 1 367 . 1 1 132 132 GLU H H 1 8.743 0.001 . 1 . . . . 126 GLU HN . 18461 1 368 . 1 1 132 132 GLU CA C 13 56.233 0.014 . 1 . . . . 126 GLU CA . 18461 1 369 . 1 1 132 132 GLU N N 15 128.311 0.057 . 1 . . . . 126 GLU N . 18461 1 370 . 1 1 133 133 SER H H 1 9.426 0.005 . 1 . . . . 127 SER HN . 18461 1 371 . 1 1 133 133 SER CA C 13 62.850 0.028 . 1 . . . . 127 SER CA . 18461 1 372 . 1 1 133 133 SER N N 15 122.918 0.045 . 1 . . . . 127 SER N . 18461 1 373 . 1 1 134 134 ARG H H 1 8.678 0.002 . 1 . . . . 128 ARG HN . 18461 1 374 . 1 1 134 134 ARG CA C 13 58.728 0.014 . 1 . . . . 128 ARG CA . 18461 1 375 . 1 1 134 134 ARG N N 15 119.078 0.039 . 1 . . . . 128 ARG N . 18461 1 376 . 1 1 135 135 GLN H H 1 6.798 0.004 . 1 . . . . 129 GLN HN . 18461 1 377 . 1 1 135 135 GLN CA C 13 58.468 0.002 . 1 . . . . 129 GLN CA . 18461 1 378 . 1 1 135 135 GLN N N 15 117.957 0.090 . 1 . . . . 129 GLN N . 18461 1 379 . 1 1 136 136 ALA H H 1 7.020 0.002 . 1 . . . . 130 ALA HN . 18461 1 380 . 1 1 136 136 ALA CA C 13 54.844 0.035 . 1 . . . . 130 ALA CA . 18461 1 381 . 1 1 136 136 ALA N N 15 124.658 0.039 . 1 . . . . 130 ALA N . 18461 1 382 . 1 1 137 137 GLN H H 1 8.610 0.006 . 1 . . . . 131 GLN HN . 18461 1 383 . 1 1 137 137 GLN CA C 13 58.912 0.031 . 1 . . . . 131 GLN CA . 18461 1 384 . 1 1 137 137 GLN N N 15 119.218 0.054 . 1 . . . . 131 GLN N . 18461 1 385 . 1 1 138 138 ASP H H 1 8.237 0.001 . 1 . . . . 132 ASP HN . 18461 1 386 . 1 1 138 138 ASP CA C 13 57.213 0.013 . 1 . . . . 132 ASP CA . 18461 1 387 . 1 1 138 138 ASP N N 15 121.337 0.048 . 1 . . . . 132 ASP N . 18461 1 388 . 1 1 139 139 LEU H H 1 7.480 0.004 . 1 . . . . 133 LEU HN . 18461 1 389 . 1 1 139 139 LEU CA C 13 57.615 0.017 . 1 . . . . 133 LEU CA . 18461 1 390 . 1 1 139 139 LEU N N 15 124.742 0.028 . 1 . . . . 133 LEU N . 18461 1 391 . 1 1 140 140 ALA H H 1 8.414 0.004 . 1 . . . . 134 ALA HN . 18461 1 392 . 1 1 140 140 ALA CA C 13 55.818 0.044 . 1 . . . . 134 ALA CA . 18461 1 393 . 1 1 140 140 ALA N N 15 122.886 0.022 . 1 . . . . 134 ALA N . 18461 1 394 . 1 1 141 141 ARG H H 1 8.466 0.007 . 1 . . . . 135 ARG HN . 18461 1 395 . 1 1 141 141 ARG CA C 13 59.324 0.020 . 1 . . . . 135 ARG CA . 18461 1 396 . 1 1 141 141 ARG N N 15 119.630 0.050 . 1 . . . . 135 ARG N . 18461 1 397 . 1 1 142 142 SER H H 1 7.958 0.003 . 1 . . . . 136 SER HN . 18461 1 398 . 1 1 142 142 SER CA C 13 61.459 0.042 . 1 . . . . 136 SER CA . 18461 1 399 . 1 1 142 142 SER N N 15 118.986 0.066 . 1 . . . . 136 SER N . 18461 1 400 . 1 1 143 143 TYR H H 1 7.692 0.001 . 1 . . . . 137 TYR HN . 18461 1 401 . 1 1 143 143 TYR CA C 13 54.605 0.006 . 1 . . . . 137 TYR CA . 18461 1 402 . 1 1 143 143 TYR N N 15 121.420 0.051 . 1 . . . . 137 TYR N . 18461 1 403 . 1 1 144 144 GLY H H 1 8.340 0.007 . 1 . . . . 138 GLY HN . 18461 1 404 . 1 1 144 144 GLY CA C 13 46.416 0.036 . 1 . . . . 138 GLY CA . 18461 1 405 . 1 1 144 144 GLY N N 15 112.232 0.084 . 1 . . . . 138 GLY N . 18461 1 406 . 1 1 145 145 ILE H H 1 8.066 0.003 . 1 . . . . 139 ILE HN . 18461 1 407 . 1 1 145 145 ILE CA C 13 58.467 0.000 . 1 . . . . 139 ILE CA . 18461 1 408 . 1 1 145 145 ILE N N 15 114.226 0.023 . 1 . . . . 139 ILE N . 18461 1 409 . 1 1 146 146 PRO CA C 13 62.403 0.000 . 1 . . . . 140 PRO CA . 18461 1 410 . 1 1 147 147 TYR H H 1 8.247 0.004 . 1 . . . . 141 TYR HN . 18461 1 411 . 1 1 147 147 TYR CA C 13 54.860 0.002 . 1 . . . . 141 TYR CA . 18461 1 412 . 1 1 147 147 TYR N N 15 121.180 0.111 . 1 . . . . 141 TYR N . 18461 1 413 . 1 1 148 148 ILE H H 1 8.522 0.002 . 1 . . . . 142 ILE HN . 18461 1 414 . 1 1 148 148 ILE CA C 13 59.215 0.024 . 1 . . . . 142 ILE CA . 18461 1 415 . 1 1 148 148 ILE N N 15 131.299 0.140 . 1 . . . . 142 ILE N . 18461 1 416 . 1 1 149 149 GLU H H 1 7.836 0.003 . 1 . . . . 143 GLU HN . 18461 1 417 . 1 1 149 149 GLU CA C 13 55.717 0.030 . 1 . . . . 143 GLU CA . 18461 1 418 . 1 1 149 149 GLU N N 15 126.099 0.053 . 1 . . . . 143 GLU N . 18461 1 419 . 1 1 150 150 THR H H 1 8.837 0.006 . 1 . . . . 144 THR HN . 18461 1 420 . 1 1 150 150 THR CA C 13 59.483 0.042 . 1 . . . . 144 THR CA . 18461 1 421 . 1 1 150 150 THR N N 15 114.073 0.112 . 1 . . . . 144 THR N . 18461 1 422 . 1 1 151 151 SER H H 1 8.743 0.006 . 1 . . . . 145 SER HN . 18461 1 423 . 1 1 151 151 SER CA C 13 57.391 0.033 . 1 . . . . 145 SER CA . 18461 1 424 . 1 1 151 151 SER N N 15 113.500 0.068 . 1 . . . . 145 SER N . 18461 1 425 . 1 1 152 152 ALA H H 1 9.162 0.006 . 1 . . . . 146 ALA HN . 18461 1 426 . 1 1 152 152 ALA CA C 13 54.397 0.087 . 1 . . . . 146 ALA CA . 18461 1 427 . 1 1 152 152 ALA N N 15 133.327 0.080 . 1 . . . . 146 ALA N . 18461 1 428 . 1 1 153 153 LYS H H 1 7.031 0.006 . 1 . . . . 147 LYS HN . 18461 1 429 . 1 1 153 153 LYS CA C 13 58.215 0.054 . 1 . . . . 147 LYS CA . 18461 1 430 . 1 1 153 153 LYS N N 15 117.634 0.062 . 1 . . . . 147 LYS N . 18461 1 431 . 1 1 154 154 THR H H 1 7.613 0.003 . 1 . . . . 148 THR HN . 18461 1 432 . 1 1 154 154 THR CA C 13 61.304 0.052 . 1 . . . . 148 THR CA . 18461 1 433 . 1 1 154 154 THR N N 15 107.247 0.138 . 1 . . . . 148 THR N . 18461 1 434 . 1 1 155 155 ARG H H 1 7.742 0.005 . 1 . . . . 149 ARG HN . 18461 1 435 . 1 1 155 155 ARG CA C 13 59.313 0.125 . 1 . . . . 149 ARG CA . 18461 1 436 . 1 1 155 155 ARG N N 15 120.000 0.512 . 1 . . . . 149 ARG N . 18461 1 437 . 1 1 156 156 GLN H H 1 7.832 0.002 . 1 . . . . 150 GLN HN . 18461 1 438 . 1 1 156 156 GLN CA C 13 57.210 0.015 . 1 . . . . 150 GLN CA . 18461 1 439 . 1 1 156 156 GLN N N 15 125.338 0.060 . 1 . . . . 150 GLN N . 18461 1 440 . 1 1 157 157 GLY H H 1 8.945 0.001 . 1 . . . . 151 GLY HN . 18461 1 441 . 1 1 157 157 GLY CA C 13 46.829 0.061 . 1 . . . . 151 GLY CA . 18461 1 442 . 1 1 157 157 GLY N N 15 116.351 0.039 . 1 . . . . 151 GLY N . 18461 1 443 . 1 1 158 158 VAL H H 1 7.067 0.002 . 1 . . . . 152 VAL HN . 18461 1 444 . 1 1 158 158 VAL CA C 13 68.252 0.076 . 1 . . . . 152 VAL CA . 18461 1 445 . 1 1 158 158 VAL N N 15 121.823 0.265 . 1 . . . . 152 VAL N . 18461 1 446 . 1 1 159 159 GLU H H 1 8.183 0.004 . 1 . . . . 153 GLU HN . 18461 1 447 . 1 1 159 159 GLU CA C 13 60.404 0.030 . 1 . . . . 153 GLU CA . 18461 1 448 . 1 1 159 159 GLU N N 15 117.913 0.042 . 1 . . . . 153 GLU N . 18461 1 449 . 1 1 160 160 ASP H H 1 8.147 0.005 . 1 . . . . 154 ASP HN . 18461 1 450 . 1 1 160 160 ASP CA C 13 57.178 0.019 . 1 . . . . 154 ASP CA . 18461 1 451 . 1 1 160 160 ASP N N 15 117.433 0.090 . 1 . . . . 154 ASP N . 18461 1 452 . 1 1 161 161 ALA H H 1 8.593 0.010 . 1 . . . . 155 ALA HN . 18461 1 453 . 1 1 161 161 ALA CA C 13 56.248 0.054 . 1 . . . . 155 ALA CA . 18461 1 454 . 1 1 161 161 ALA N N 15 125.240 0.040 . 1 . . . . 155 ALA N . 18461 1 455 . 1 1 162 162 PHE H H 1 7.212 0.002 . 1 . . . . 156 PHE HN . 18461 1 456 . 1 1 162 162 PHE CA C 13 62.942 0.050 . 1 . . . . 156 PHE CA . 18461 1 457 . 1 1 162 162 PHE N N 15 113.807 0.069 . 1 . . . . 156 PHE N . 18461 1 458 . 1 1 163 163 TYR H H 1 9.601 0.005 . 1 . . . . 157 TYR HN . 18461 1 459 . 1 1 163 163 TYR CA C 13 58.407 0.033 . 1 . . . . 157 TYR CA . 18461 1 460 . 1 1 163 163 TYR N N 15 120.265 0.031 . 1 . . . . 157 TYR N . 18461 1 461 . 1 1 164 164 THR H H 1 8.541 0.008 . 1 . . . . 158 THR HN . 18461 1 462 . 1 1 164 164 THR CA C 13 67.622 0.035 . 1 . . . . 158 THR CA . 18461 1 463 . 1 1 164 164 THR N N 15 118.168 0.180 . 1 . . . . 158 THR N . 18461 1 464 . 1 1 165 165 LEU H H 1 7.237 0.009 . 1 . . . . 159 LEU HN . 18461 1 465 . 1 1 165 165 LEU CA C 13 57.959 0.061 . 1 . . . . 159 LEU CA . 18461 1 466 . 1 1 165 165 LEU N N 15 122.821 0.081 . 1 . . . . 159 LEU N . 18461 1 467 . 1 1 166 166 VAL H H 1 7.536 0.003 . 1 . . . . 160 VAL HN . 18461 1 468 . 1 1 166 166 VAL CA C 13 67.529 0.025 . 1 . . . . 160 VAL CA . 18461 1 469 . 1 1 166 166 VAL N N 15 120.243 0.103 . 1 . . . . 160 VAL N . 18461 1 470 . 1 1 167 167 ARG H H 1 8.094 0.004 . 1 . . . . 161 ARG HN . 18461 1 471 . 1 1 167 167 ARG CA C 13 60.962 0.058 . 1 . . . . 161 ARG CA . 18461 1 472 . 1 1 167 167 ARG N N 15 120.209 0.037 . 1 . . . . 161 ARG N . 18461 1 473 . 1 1 168 168 GLU H H 1 8.218 0.002 . 1 . . . . 162 GLU HN . 18461 1 474 . 1 1 168 168 GLU CA C 13 58.692 0.016 . 1 . . . . 162 GLU CA . 18461 1 475 . 1 1 168 168 GLU N N 15 119.421 0.098 . 1 . . . . 162 GLU N . 18461 1 476 . 1 1 169 169 ILE H H 1 8.185 0.003 . 1 . . . . 163 ILE HN . 18461 1 477 . 1 1 169 169 ILE CA C 13 65.931 0.064 . 1 . . . . 163 ILE CA . 18461 1 478 . 1 1 169 169 ILE N N 15 123.198 0.142 . 1 . . . . 163 ILE N . 18461 1 479 . 1 1 170 170 ARG H H 1 8.461 0.005 . 1 . . . . 164 ARG HN . 18461 1 480 . 1 1 170 170 ARG CA C 13 59.148 0.095 . 1 . . . . 164 ARG CA . 18461 1 481 . 1 1 170 170 ARG N N 15 119.867 0.105 . 1 . . . . 164 ARG N . 18461 1 482 . 1 1 171 171 GLN H H 1 7.666 0.002 . 1 . . . . 165 GLN HN . 18461 1 483 . 1 1 171 171 GLN CA C 13 55.916 0.011 . 1 . . . . 165 GLN CA . 18461 1 484 . 1 1 171 171 GLN N N 15 116.584 0.012 . 1 . . . . 165 GLN N . 18461 1 485 . 1 1 172 172 HIS H H 1 7.711 0.002 . 1 . . . . 166 HIS HN . 18461 1 486 . 1 1 172 172 HIS CA C 13 58.130 0.000 . 1 . . . . 166 HIS CA . 18461 1 487 . 1 1 172 172 HIS N N 15 126.040 0.082 . 1 . . . . 166 HIS N . 18461 1 stop_ save_