################################### # 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 16891 _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' . . . 16891 1 2 '3D HNCACB' . . . 16891 1 3 '3D CBCA(CO)NH' . . . 16891 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER H H 1 9.827 0.005 . 1 . . . . 3 SER HN . 16891 1 2 . 1 1 3 3 SER N N 15 123.302 0.002 . 1 . . . . 3 SER N . 16891 1 3 . 1 1 5 5 ALA CA C 13 55.191 0.056 . 1 . . . . 5 ALA CA . 16891 1 4 . 1 1 5 5 ALA CB C 13 17.954 0.042 . 1 . . . . 5 ALA CB . 16891 1 5 . 1 1 6 6 ASP H H 1 8.171 0.004 . 1 . . . . 6 ASP HN . 16891 1 6 . 1 1 6 6 ASP CA C 13 57.606 0.012 . 1 . . . . 6 ASP CA . 16891 1 7 . 1 1 6 6 ASP CB C 13 41.801 0.003 . 1 . . . . 6 ASP CB . 16891 1 8 . 1 1 6 6 ASP N N 15 118.241 0.074 . 1 . . . . 6 ASP N . 16891 1 9 . 1 1 7 7 LYS H H 1 8.298 0.002 . 1 . . . . 7 LYS HN . 16891 1 10 . 1 1 7 7 LYS CA C 13 61.353 0.029 . 1 . . . . 7 LYS CA . 16891 1 11 . 1 1 7 7 LYS CB C 13 32.187 0.010 . 1 . . . . 7 LYS CB . 16891 1 12 . 1 1 7 7 LYS N N 15 119.122 0.077 . 1 . . . . 7 LYS N . 16891 1 13 . 1 1 8 8 THR H H 1 8.210 0.003 . 1 . . . . 8 THR HN . 16891 1 14 . 1 1 8 8 THR CA C 13 66.839 0.052 . 1 . . . . 8 THR CA . 16891 1 15 . 1 1 8 8 THR CB C 13 68.586 0.021 . 1 . . . . 8 THR CB . 16891 1 16 . 1 1 8 8 THR N N 15 116.390 0.013 . 1 . . . . 8 THR N . 16891 1 17 . 1 1 9 9 ASN H H 1 8.366 0.011 . 1 . . . . 9 ASN HN . 16891 1 18 . 1 1 9 9 ASN CA C 13 55.587 0.099 . 1 . . . . 9 ASN CA . 16891 1 19 . 1 1 9 9 ASN CB C 13 38.187 0.107 . 1 . . . . 9 ASN CB . 16891 1 20 . 1 1 9 9 ASN N N 15 121.256 0.080 . 1 . . . . 9 ASN N . 16891 1 21 . 1 1 10 10 VAL H H 1 8.667 0.009 . 1 . . . . 10 VAL HN . 16891 1 22 . 1 1 10 10 VAL CA C 13 67.013 0.069 . 1 . . . . 10 VAL CA . 16891 1 23 . 1 1 10 10 VAL CB C 13 31.514 0.000 . 1 . . . . 10 VAL CB . 16891 1 24 . 1 1 10 10 VAL N N 15 120.481 0.079 . 1 . . . . 10 VAL N . 16891 1 25 . 1 1 11 11 LYS H H 1 8.125 0.005 . 1 . . . . 11 LYS HN . 16891 1 26 . 1 1 11 11 LYS CA C 13 60.302 0.070 . 1 . . . . 11 LYS CA . 16891 1 27 . 1 1 11 11 LYS CB C 13 32.484 0.111 . 1 . . . . 11 LYS CB . 16891 1 28 . 1 1 11 11 LYS N N 15 118.291 0.050 . 1 . . . . 11 LYS N . 16891 1 29 . 1 1 12 12 ALA H H 1 8.253 0.003 . 1 . . . . 12 ALA HN . 16891 1 30 . 1 1 12 12 ALA CA C 13 54.804 0.059 . 1 . . . . 12 ALA CA . 16891 1 31 . 1 1 12 12 ALA CB C 13 18.133 0.029 . 1 . . . . 12 ALA CB . 16891 1 32 . 1 1 12 12 ALA N N 15 121.722 0.026 . 1 . . . . 12 ALA N . 16891 1 33 . 1 1 13 13 ALA H H 1 8.395 0.002 . 1 . . . . 13 ALA HN . 16891 1 34 . 1 1 13 13 ALA CA C 13 55.367 0.021 . 1 . . . . 13 ALA CA . 16891 1 35 . 1 1 13 13 ALA CB C 13 18.495 0.035 . 1 . . . . 13 ALA CB . 16891 1 36 . 1 1 13 13 ALA N N 15 121.184 0.019 . 1 . . . . 13 ALA N . 16891 1 37 . 1 1 14 14 TRP H H 1 9.165 0.004 . 1 . . . . 14 TRP HN . 16891 1 38 . 1 1 14 14 TRP CA C 13 60.111 0.037 . 1 . . . . 14 TRP CA . 16891 1 39 . 1 1 14 14 TRP CB C 13 29.153 0.022 . 1 . . . . 14 TRP CB . 16891 1 40 . 1 1 14 14 TRP N N 15 118.095 0.035 . 1 . . . . 14 TRP N . 16891 1 41 . 1 1 15 15 GLY H H 1 8.091 0.005 . 1 . . . . 15 GLY HN . 16891 1 42 . 1 1 15 15 GLY CA C 13 46.807 0.067 . 1 . . . . 15 GLY CA . 16891 1 43 . 1 1 15 15 GLY N N 15 105.711 0.039 . 1 . . . . 15 GLY N . 16891 1 44 . 1 1 16 16 LYS H H 1 7.416 0.015 . 1 . . . . 16 LYS HN . 16891 1 45 . 1 1 16 16 LYS CA C 13 57.225 0.062 . 1 . . . . 16 LYS CA . 16891 1 46 . 1 1 16 16 LYS CB C 13 32.033 0.044 . 1 . . . . 16 LYS CB . 16891 1 47 . 1 1 16 16 LYS N N 15 120.302 0.031 . 1 . . . . 16 LYS N . 16891 1 48 . 1 1 17 17 VAL H H 1 7.697 0.010 . 1 . . . . 17 VAL HN . 16891 1 49 . 1 1 17 17 VAL CA C 13 66.247 0.056 . 1 . . . . 17 VAL CA . 16891 1 50 . 1 1 17 17 VAL CB C 13 31.006 0.099 . 1 . . . . 17 VAL CB . 16891 1 51 . 1 1 17 17 VAL N N 15 121.010 0.127 . 1 . . . . 17 VAL N . 16891 1 52 . 1 1 18 18 GLY H H 1 7.364 0.003 . 1 . . . . 18 GLY HN . 16891 1 53 . 1 1 18 18 GLY CA C 13 46.999 0.080 . 1 . . . . 18 GLY CA . 16891 1 54 . 1 1 18 18 GLY N N 15 103.219 0.036 . 1 . . . . 18 GLY N . 16891 1 55 . 1 1 19 19 ALA H H 1 8.861 0.000 . 1 . . . . 19 ALA HN . 16891 1 56 . 1 1 19 19 ALA CA C 13 53.191 0.060 . 1 . . . . 19 ALA CA . 16891 1 57 . 1 1 19 19 ALA CB C 13 18.277 0.070 . 1 . . . . 19 ALA CB . 16891 1 58 . 1 1 19 19 ALA N N 15 127.704 0.000 . 1 . . . . 19 ALA N . 16891 1 59 . 1 1 20 20 HIS H H 1 7.788 0.003 . 1 . . . . 20 HIS HN . 16891 1 60 . 1 1 20 20 HIS CA C 13 55.622 0.083 . 1 . . . . 20 HIS CA . 16891 1 61 . 1 1 20 20 HIS CB C 13 28.776 0.045 . 1 . . . . 20 HIS CB . 16891 1 62 . 1 1 20 20 HIS N N 15 114.680 0.078 . 1 . . . . 20 HIS N . 16891 1 63 . 1 1 21 21 ALA H H 1 7.099 0.004 . 1 . . . . 21 ALA HN . 16891 1 64 . 1 1 21 21 ALA CA C 13 56.512 0.067 . 1 . . . . 21 ALA CA . 16891 1 65 . 1 1 21 21 ALA CB C 13 18.474 0.031 . 1 . . . . 21 ALA CB . 16891 1 66 . 1 1 21 21 ALA N N 15 121.810 0.041 . 1 . . . . 21 ALA N . 16891 1 67 . 1 1 22 22 GLY H H 1 8.561 0.003 . 1 . . . . 22 GLY HN . 16891 1 68 . 1 1 22 22 GLY CA C 13 47.477 0.054 . 1 . . . . 22 GLY CA . 16891 1 69 . 1 1 22 22 GLY N N 15 104.867 0.025 . 1 . . . . 22 GLY N . 16891 1 70 . 1 1 23 23 GLU H H 1 7.841 0.006 . 1 . . . . 23 GLU HN . 16891 1 71 . 1 1 23 23 GLU CA C 13 58.936 0.119 . 1 . . . . 23 GLU CA . 16891 1 72 . 1 1 23 23 GLU CB C 13 28.877 0.000 . 1 . . . . 23 GLU CB . 16891 1 73 . 1 1 23 23 GLU N N 15 124.591 0.037 . 1 . . . . 23 GLU N . 16891 1 74 . 1 1 24 24 TYR H H 1 8.004 0.004 . 1 . . . . 24 TYR HN . 16891 1 75 . 1 1 24 24 TYR CA C 13 56.844 0.046 . 1 . . . . 24 TYR CA . 16891 1 76 . 1 1 24 24 TYR CB C 13 34.796 0.000 . 1 . . . . 24 TYR CB . 16891 1 77 . 1 1 24 24 TYR N N 15 120.706 0.039 . 1 . . . . 24 TYR N . 16891 1 78 . 1 1 25 25 GLY H H 1 8.904 0.004 . 1 . . . . 25 GLY HN . 16891 1 79 . 1 1 25 25 GLY CA C 13 46.729 0.049 . 1 . . . . 25 GLY CA . 16891 1 80 . 1 1 25 25 GLY N N 15 108.152 0.040 . 1 . . . . 25 GLY N . 16891 1 81 . 1 1 26 26 ALA H H 1 7.819 0.003 . 1 . . . . 26 ALA HN . 16891 1 82 . 1 1 26 26 ALA CA C 13 55.021 0.023 . 1 . . . . 26 ALA CA . 16891 1 83 . 1 1 26 26 ALA CB C 13 19.192 0.063 . 1 . . . . 26 ALA CB . 16891 1 84 . 1 1 26 26 ALA N N 15 121.786 0.042 . 1 . . . . 26 ALA N . 16891 1 85 . 1 1 27 27 GLU H H 1 7.928 0.009 . 1 . . . . 27 GLU HN . 16891 1 86 . 1 1 27 27 GLU CA C 13 59.069 0.097 . 1 . . . . 27 GLU CA . 16891 1 87 . 1 1 27 27 GLU N N 15 118.972 0.069 . 1 . . . . 27 GLU N . 16891 1 88 . 1 1 28 28 ALA H H 1 8.351 0.007 . 1 . . . . 28 ALA HN . 16891 1 89 . 1 1 28 28 ALA CA C 13 55.658 0.000 . 1 . . . . 28 ALA CA . 16891 1 90 . 1 1 28 28 ALA CB C 13 17.950 0.038 . 1 . . . . 28 ALA CB . 16891 1 91 . 1 1 28 28 ALA N N 15 121.441 0.099 . 1 . . . . 28 ALA N . 16891 1 92 . 1 1 29 29 LEU H H 1 7.336 0.014 . 1 . . . . 29 LEU HN . 16891 1 93 . 1 1 29 29 LEU CA C 13 57.481 0.000 . 1 . . . . 29 LEU CA . 16891 1 94 . 1 1 29 29 LEU N N 15 116.668 0.106 . 1 . . . . 29 LEU N . 16891 1 95 . 1 1 31 31 ARG H H 1 8.348 0.000 . 1 . . . . 31 ARG HN . 16891 1 96 . 1 1 31 31 ARG CA C 13 59.094 0.000 . 1 . . . . 31 ARG CA . 16891 1 97 . 1 1 31 31 ARG N N 15 118.838 0.000 . 1 . . . . 31 ARG N . 16891 1 98 . 1 1 33 33 PHE H H 1 8.142 0.006 . 1 . . . . 33 PHE HN . 16891 1 99 . 1 1 33 33 PHE CA C 13 58.407 0.069 . 1 . . . . 33 PHE CA . 16891 1 100 . 1 1 33 33 PHE CB C 13 38.001 0.064 . 1 . . . . 33 PHE CB . 16891 1 101 . 1 1 33 33 PHE N N 15 117.569 0.046 . 1 . . . . 33 PHE N . 16891 1 102 . 1 1 34 34 LEU H H 1 7.648 0.005 . 1 . . . . 34 LEU HN . 16891 1 103 . 1 1 34 34 LEU CA C 13 57.019 0.010 . 1 . . . . 34 LEU CA . 16891 1 104 . 1 1 34 34 LEU CB C 13 43.224 0.047 . 1 . . . . 34 LEU CB . 16891 1 105 . 1 1 34 34 LEU N N 15 116.124 0.048 . 1 . . . . 34 LEU N . 16891 1 106 . 1 1 35 35 SER H H 1 8.427 0.013 . 1 . . . . 35 SER HN . 16891 1 107 . 1 1 35 35 SER CA C 13 61.600 0.000 . 1 . . . . 35 SER CA . 16891 1 108 . 1 1 35 35 SER N N 15 113.637 0.085 . 1 . . . . 35 SER N . 16891 1 109 . 1 1 37 37 PRO CA C 13 65.235 0.000 . 1 . . . . 37 PRO CA . 16891 1 110 . 1 1 37 37 PRO CB C 13 32.201 0.000 . 1 . . . . 37 PRO CB . 16891 1 111 . 1 1 38 38 THR H H 1 8.464 0.017 . 1 . . . . 38 THR HN . 16891 1 112 . 1 1 38 38 THR CA C 13 65.592 0.107 . 1 . . . . 38 THR CA . 16891 1 113 . 1 1 38 38 THR CB C 13 68.005 0.047 . 1 . . . . 38 THR CB . 16891 1 114 . 1 1 38 38 THR N N 15 113.478 0.075 . 1 . . . . 38 THR N . 16891 1 115 . 1 1 39 39 THR H H 1 8.908 0.005 . 1 . . . . 39 THR HN . 16891 1 116 . 1 1 39 39 THR CA C 13 66.546 0.048 . 1 . . . . 39 THR CA . 16891 1 117 . 1 1 39 39 THR CB C 13 70.701 0.081 . 1 . . . . 39 THR CB . 16891 1 118 . 1 1 39 39 THR N N 15 114.840 0.065 . 1 . . . . 39 THR N . 16891 1 119 . 1 1 40 40 LYS H H 1 7.863 0.007 . 1 . . . . 40 LYS HN . 16891 1 120 . 1 1 40 40 LYS CA C 13 59.575 0.035 . 1 . . . . 40 LYS CA . 16891 1 121 . 1 1 40 40 LYS CB C 13 32.248 0.097 . 1 . . . . 40 LYS CB . 16891 1 122 . 1 1 40 40 LYS N N 15 118.016 0.116 . 1 . . . . 40 LYS N . 16891 1 123 . 1 1 41 41 THR H H 1 7.963 0.004 . 1 . . . . 41 THR HN . 16891 1 124 . 1 1 41 41 THR CA C 13 64.928 0.075 . 1 . . . . 41 THR CA . 16891 1 125 . 1 1 41 41 THR CB C 13 69.066 0.082 . 1 . . . . 41 THR CB . 16891 1 126 . 1 1 41 41 THR N N 15 111.697 0.047 . 1 . . . . 41 THR N . 16891 1 127 . 1 1 42 42 TYR H H 1 7.473 0.004 . 1 . . . . 42 TYR HN . 16891 1 128 . 1 1 42 42 TYR CA C 13 60.725 0.071 . 1 . . . . 42 TYR CA . 16891 1 129 . 1 1 42 42 TYR CB C 13 39.406 0.028 . 1 . . . . 42 TYR CB . 16891 1 130 . 1 1 42 42 TYR N N 15 116.588 0.091 . 1 . . . . 42 TYR N . 16891 1 131 . 1 1 43 43 PHE H H 1 7.870 0.009 . 1 . . . . 43 PHE HN . 16891 1 132 . 1 1 43 43 PHE CA C 13 55.145 0.000 . 1 . . . . 43 PHE CA . 16891 1 133 . 1 1 43 43 PHE CB C 13 40.025 0.000 . 1 . . . . 43 PHE CB . 16891 1 134 . 1 1 43 43 PHE N N 15 116.924 0.071 . 1 . . . . 43 PHE N . 16891 1 135 . 1 1 44 44 PRO CA C 13 65.281 0.000 . 1 . . . . 44 PRO CA . 16891 1 136 . 1 1 44 44 PRO CB C 13 31.464 0.000 . 1 . . . . 44 PRO CB . 16891 1 137 . 1 1 45 45 HIS H H 1 9.589 0.006 . 1 . . . . 45 HIS HN . 16891 1 138 . 1 1 45 45 HIS CA C 13 55.137 0.054 . 1 . . . . 45 HIS CA . 16891 1 139 . 1 1 45 45 HIS CB C 13 29.602 0.001 . 1 . . . . 45 HIS CB . 16891 1 140 . 1 1 45 45 HIS N N 15 116.616 0.040 . 1 . . . . 45 HIS N . 16891 1 141 . 1 1 46 46 PHE H H 1 7.555 0.005 . 1 . . . . 46 PHE HN . 16891 1 142 . 1 1 46 46 PHE CA C 13 56.010 0.005 . 1 . . . . 46 PHE CA . 16891 1 143 . 1 1 46 46 PHE CB C 13 40.226 0.067 . 1 . . . . 46 PHE CB . 16891 1 144 . 1 1 46 46 PHE N N 15 122.747 0.024 . 1 . . . . 46 PHE N . 16891 1 145 . 1 1 47 47 ASP H H 1 7.991 0.006 . 1 . . . . 47 ASP HN . 16891 1 146 . 1 1 47 47 ASP CA C 13 53.359 0.023 . 1 . . . . 47 ASP CA . 16891 1 147 . 1 1 47 47 ASP CB C 13 39.853 0.000 . 1 . . . . 47 ASP CB . 16891 1 148 . 1 1 47 47 ASP N N 15 119.107 0.063 . 1 . . . . 47 ASP N . 16891 1 149 . 1 1 48 48 LEU H H 1 8.665 0.016 . 1 . . . . 48 LEU HN . 16891 1 150 . 1 1 48 48 LEU CA C 13 53.292 0.080 . 1 . . . . 48 LEU CA . 16891 1 151 . 1 1 48 48 LEU CB C 13 40.297 0.053 . 1 . . . . 48 LEU CB . 16891 1 152 . 1 1 48 48 LEU N N 15 128.063 0.037 . 1 . . . . 48 LEU N . 16891 1 153 . 1 1 49 49 SER H H 1 8.291 0.003 . 1 . . . . 49 SER HN . 16891 1 154 . 1 1 49 49 SER CA C 13 59.093 0.033 . 1 . . . . 49 SER CA . 16891 1 155 . 1 1 49 49 SER CB C 13 63.933 0.063 . 1 . . . . 49 SER CB . 16891 1 156 . 1 1 49 49 SER N N 15 117.767 0.028 . 1 . . . . 49 SER N . 16891 1 157 . 1 1 50 50 HIS H H 1 8.809 0.003 . 1 . . . . 50 HIS HN . 16891 1 158 . 1 1 50 50 HIS CA C 13 57.719 0.085 . 1 . . . . 50 HIS CA . 16891 1 159 . 1 1 50 50 HIS CB C 13 28.736 0.050 . 1 . . . . 50 HIS CB . 16891 1 160 . 1 1 50 50 HIS N N 15 122.037 0.082 . 1 . . . . 50 HIS N . 16891 1 161 . 1 1 51 51 GLY H H 1 9.566 0.010 . 1 . . . . 51 GLY HN . 16891 1 162 . 1 1 51 51 GLY CA C 13 45.201 0.072 . 1 . . . . 51 GLY CA . 16891 1 163 . 1 1 51 51 GLY N N 15 117.672 0.078 . 1 . . . . 51 GLY N . 16891 1 164 . 1 1 52 52 SER H H 1 7.538 0.016 . 1 . . . . 52 SER HN . 16891 1 165 . 1 1 52 52 SER CA C 13 57.072 0.022 . 1 . . . . 52 SER CA . 16891 1 166 . 1 1 52 52 SER CB C 13 64.887 0.097 . 1 . . . . 52 SER CB . 16891 1 167 . 1 1 52 52 SER N N 15 114.606 0.018 . 1 . . . . 52 SER N . 16891 1 168 . 1 1 53 53 ALA H H 1 9.192 0.005 . 1 . . . . 53 ALA HN . 16891 1 169 . 1 1 53 53 ALA CA C 13 54.708 0.059 . 1 . . . . 53 ALA CA . 16891 1 170 . 1 1 53 53 ALA CB C 13 18.111 0.011 . 1 . . . . 53 ALA CB . 16891 1 171 . 1 1 53 53 ALA N N 15 131.605 0.036 . 1 . . . . 53 ALA N . 16891 1 172 . 1 1 54 54 GLN H H 1 8.448 0.007 . 1 . . . . 54 GLN HN . 16891 1 173 . 1 1 54 54 GLN CA C 13 58.863 0.055 . 1 . . . . 54 GLN CA . 16891 1 174 . 1 1 54 54 GLN CB C 13 28.482 0.045 . 1 . . . . 54 GLN CB . 16891 1 175 . 1 1 54 54 GLN N N 15 120.715 0.048 . 1 . . . . 54 GLN N . 16891 1 176 . 1 1 55 55 VAL H H 1 7.630 0.005 . 1 . . . . 55 VAL HN . 16891 1 177 . 1 1 55 55 VAL CA C 13 67.283 0.044 . 1 . . . . 55 VAL CA . 16891 1 178 . 1 1 55 55 VAL CB C 13 31.460 0.071 . 1 . . . . 55 VAL CB . 16891 1 179 . 1 1 55 55 VAL N N 15 122.019 0.055 . 1 . . . . 55 VAL N . 16891 1 180 . 1 1 56 56 LYS H H 1 7.830 0.003 . 1 . . . . 56 LYS HN . 16891 1 181 . 1 1 56 56 LYS CA C 13 59.907 0.037 . 1 . . . . 56 LYS CA . 16891 1 182 . 1 1 56 56 LYS CB C 13 32.021 0.028 . 1 . . . . 56 LYS CB . 16891 1 183 . 1 1 56 56 LYS N N 15 120.387 0.079 . 1 . . . . 56 LYS N . 16891 1 184 . 1 1 57 57 GLY H H 1 8.332 0.007 . 1 . . . . 57 GLY HN . 16891 1 185 . 1 1 57 57 GLY CA C 13 46.742 0.066 . 1 . . . . 57 GLY CA . 16891 1 186 . 1 1 57 57 GLY N N 15 106.194 0.025 . 1 . . . . 57 GLY N . 16891 1 187 . 1 1 58 58 HIS H H 1 8.198 0.008 . 1 . . . . 58 HIS HN . 16891 1 188 . 1 1 58 58 HIS CA C 13 60.075 0.039 . 1 . . . . 58 HIS CA . 16891 1 189 . 1 1 58 58 HIS CB C 13 31.090 0.020 . 1 . . . . 58 HIS CB . 16891 1 190 . 1 1 58 58 HIS N N 15 124.790 0.024 . 1 . . . . 58 HIS N . 16891 1 191 . 1 1 59 59 GLY H H 1 8.613 0.005 . 1 . . . . 59 GLY HN . 16891 1 192 . 1 1 59 59 GLY CA C 13 46.475 0.018 . 1 . . . . 59 GLY CA . 16891 1 193 . 1 1 59 59 GLY N N 15 105.668 0.022 . 1 . . . . 59 GLY N . 16891 1 194 . 1 1 60 60 LYS H H 1 7.091 0.004 . 1 . . . . 60 LYS HN . 16891 1 195 . 1 1 60 60 LYS CA C 13 59.443 0.010 . 1 . . . . 60 LYS CA . 16891 1 196 . 1 1 60 60 LYS CB C 13 32.041 0.045 . 1 . . . . 60 LYS CB . 16891 1 197 . 1 1 60 60 LYS N N 15 120.058 0.051 . 1 . . . . 60 LYS N . 16891 1 198 . 1 1 61 61 LYS H H 1 7.028 0.003 . 1 . . . . 61 LYS HN . 16891 1 199 . 1 1 61 61 LYS CA C 13 60.280 0.078 . 1 . . . . 61 LYS CA . 16891 1 200 . 1 1 61 61 LYS CB C 13 31.849 0.042 . 1 . . . . 61 LYS CB . 16891 1 201 . 1 1 61 61 LYS N N 15 118.502 0.029 . 1 . . . . 61 LYS N . 16891 1 202 . 1 1 62 62 VAL H H 1 7.764 0.005 . 1 . . . . 62 VAL HN . 16891 1 203 . 1 1 62 62 VAL CA C 13 66.892 0.029 . 1 . . . . 62 VAL CA . 16891 1 204 . 1 1 62 62 VAL CB C 13 31.239 0.005 . 1 . . . . 62 VAL CB . 16891 1 205 . 1 1 62 62 VAL N N 15 120.268 0.085 . 1 . . . . 62 VAL N . 16891 1 206 . 1 1 63 63 ALA H H 1 8.190 0.003 . 1 . . . . 63 ALA HN . 16891 1 207 . 1 1 63 63 ALA CA C 13 56.013 0.051 . 1 . . . . 63 ALA CA . 16891 1 208 . 1 1 63 63 ALA CB C 13 19.217 0.006 . 1 . . . . 63 ALA CB . 16891 1 209 . 1 1 63 63 ALA N N 15 121.079 0.046 . 1 . . . . 63 ALA N . 16891 1 210 . 1 1 64 64 ASP H H 1 9.014 0.004 . 1 . . . . 64 ASP HN . 16891 1 211 . 1 1 64 64 ASP CA C 13 57.583 0.006 . 1 . . . . 64 ASP CA . 16891 1 212 . 1 1 64 64 ASP CB C 13 39.735 0.021 . 1 . . . . 64 ASP CB . 16891 1 213 . 1 1 64 64 ASP N N 15 119.686 0.042 . 1 . . . . 64 ASP N . 16891 1 214 . 1 1 65 65 ALA H H 1 8.373 0.002 . 1 . . . . 65 ALA HN . 16891 1 215 . 1 1 65 65 ALA CA C 13 55.455 0.070 . 1 . . . . 65 ALA CA . 16891 1 216 . 1 1 65 65 ALA CB C 13 19.903 0.008 . 1 . . . . 65 ALA CB . 16891 1 217 . 1 1 65 65 ALA N N 15 124.721 0.039 . 1 . . . . 65 ALA N . 16891 1 218 . 1 1 66 66 LEU H H 1 8.544 0.007 . 1 . . . . 66 LEU HN . 16891 1 219 . 1 1 66 66 LEU CA C 13 58.120 0.030 . 1 . . . . 66 LEU CA . 16891 1 220 . 1 1 66 66 LEU CB C 13 41.535 0.006 . 1 . . . . 66 LEU CB . 16891 1 221 . 1 1 66 66 LEU N N 15 119.496 0.033 . 1 . . . . 66 LEU N . 16891 1 222 . 1 1 67 67 THR H H 1 9.253 0.002 . 1 . . . . 67 THR HN . 16891 1 223 . 1 1 67 67 THR CA C 13 67.042 0.056 . 1 . . . . 67 THR CA . 16891 1 224 . 1 1 67 67 THR CB C 13 68.672 0.074 . 1 . . . . 67 THR CB . 16891 1 225 . 1 1 67 67 THR N N 15 118.443 0.065 . 1 . . . . 67 THR N . 16891 1 226 . 1 1 68 68 ASN H H 1 8.155 0.005 . 1 . . . . 68 ASN HN . 16891 1 227 . 1 1 68 68 ASN CA C 13 56.434 0.049 . 1 . . . . 68 ASN CA . 16891 1 228 . 1 1 68 68 ASN CB C 13 38.692 0.061 . 1 . . . . 68 ASN CB . 16891 1 229 . 1 1 68 68 ASN N N 15 121.254 0.084 . 1 . . . . 68 ASN N . 16891 1 230 . 1 1 69 69 ALA H H 1 8.585 0.006 . 1 . . . . 69 ALA HN . 16891 1 231 . 1 1 69 69 ALA CA C 13 56.175 0.035 . 1 . . . . 69 ALA CA . 16891 1 232 . 1 1 69 69 ALA CB C 13 18.036 0.078 . 1 . . . . 69 ALA CB . 16891 1 233 . 1 1 69 69 ALA N N 15 123.460 0.029 . 1 . . . . 69 ALA N . 16891 1 234 . 1 1 70 70 VAL H H 1 8.317 0.007 . 1 . . . . 70 VAL HN . 16891 1 235 . 1 1 70 70 VAL CA C 13 67.060 0.068 . 1 . . . . 70 VAL CA . 16891 1 236 . 1 1 70 70 VAL CB C 13 31.759 0.000 . 1 . . . . 70 VAL CB . 16891 1 237 . 1 1 70 70 VAL N N 15 117.092 0.037 . 1 . . . . 70 VAL N . 16891 1 238 . 1 1 71 71 ALA H H 1 7.732 0.005 . 1 . . . . 71 ALA HN . 16891 1 239 . 1 1 71 71 ALA CA C 13 54.112 0.003 . 1 . . . . 71 ALA CA . 16891 1 240 . 1 1 71 71 ALA CB C 13 18.060 0.044 . 1 . . . . 71 ALA CB . 16891 1 241 . 1 1 71 71 ALA N N 15 120.181 0.038 . 1 . . . . 71 ALA N . 16891 1 242 . 1 1 72 72 HIS H H 1 7.728 0.003 . 1 . . . . 72 HIS HN . 16891 1 243 . 1 1 72 72 HIS CA C 13 54.836 0.052 . 1 . . . . 72 HIS CA . 16891 1 244 . 1 1 72 72 HIS CB C 13 28.326 0.037 . 1 . . . . 72 HIS CB . 16891 1 245 . 1 1 72 72 HIS N N 15 115.998 0.045 . 1 . . . . 72 HIS N . 16891 1 246 . 1 1 73 73 VAL H H 1 6.733 0.006 . 1 . . . . 73 VAL HN . 16891 1 247 . 1 1 73 73 VAL CA C 13 65.262 0.045 . 1 . . . . 73 VAL CA . 16891 1 248 . 1 1 73 73 VAL CB C 13 31.915 0.027 . 1 . . . . 73 VAL CB . 16891 1 249 . 1 1 73 73 VAL N N 15 119.706 0.035 . 1 . . . . 73 VAL N . 16891 1 250 . 1 1 74 74 ASP H H 1 8.350 0.004 . 1 . . . . 74 ASP HN . 16891 1 251 . 1 1 74 74 ASP CA C 13 55.195 0.004 . 1 . . . . 74 ASP CA . 16891 1 252 . 1 1 74 74 ASP CB C 13 41.159 0.050 . 1 . . . . 74 ASP CB . 16891 1 253 . 1 1 74 74 ASP N N 15 119.544 0.057 . 1 . . . . 74 ASP N . 16891 1 254 . 1 1 75 75 ASP H H 1 8.405 0.002 . 1 . . . . 75 ASP HN . 16891 1 255 . 1 1 75 75 ASP CA C 13 52.970 0.055 . 1 . . . . 75 ASP CA . 16891 1 256 . 1 1 75 75 ASP CB C 13 41.354 0.012 . 1 . . . . 75 ASP CB . 16891 1 257 . 1 1 75 75 ASP N N 15 122.583 0.075 . 1 . . . . 75 ASP N . 16891 1 258 . 1 1 76 76 MET H H 1 8.800 0.006 . 1 . . . . 76 MET HN . 16891 1 259 . 1 1 76 76 MET CA C 13 61.941 0.000 . 1 . . . . 76 MET CA . 16891 1 260 . 1 1 76 76 MET CB C 13 32.826 0.000 . 1 . . . . 76 MET CB . 16891 1 261 . 1 1 76 76 MET N N 15 122.121 0.044 . 1 . . . . 76 MET N . 16891 1 262 . 1 1 77 77 PRO CA C 13 66.522 0.037 . 1 . . . . 77 PRO CA . 16891 1 263 . 1 1 77 77 PRO CB C 13 30.730 0.031 . 1 . . . . 77 PRO CB . 16891 1 264 . 1 1 78 78 ASN H H 1 7.410 0.003 . 1 . . . . 78 ASN HN . 16891 1 265 . 1 1 78 78 ASN CA C 13 55.584 0.018 . 1 . . . . 78 ASN CA . 16891 1 266 . 1 1 78 78 ASN CB C 13 38.860 0.038 . 1 . . . . 78 ASN CB . 16891 1 267 . 1 1 78 78 ASN N N 15 112.308 0.034 . 1 . . . . 78 ASN N . 16891 1 268 . 1 1 79 79 ALA H H 1 7.975 0.003 . 1 . . . . 79 ALA HN . 16891 1 269 . 1 1 79 79 ALA CA C 13 54.715 0.047 . 1 . . . . 79 ALA CA . 16891 1 270 . 1 1 79 79 ALA CB C 13 18.402 0.013 . 1 . . . . 79 ALA CB . 16891 1 271 . 1 1 79 79 ALA N N 15 122.171 0.039 . 1 . . . . 79 ALA N . 16891 1 272 . 1 1 80 80 LEU H H 1 8.041 0.003 . 1 . . . . 80 LEU HN . 16891 1 273 . 1 1 80 80 LEU CA C 13 53.713 0.025 . 1 . . . . 80 LEU CA . 16891 1 274 . 1 1 80 80 LEU CB C 13 41.381 0.038 . 1 . . . . 80 LEU CB . 16891 1 275 . 1 1 80 80 LEU N N 15 113.799 0.019 . 1 . . . . 80 LEU N . 16891 1 276 . 1 1 81 81 SER H H 1 7.151 0.004 . 1 . . . . 81 SER HN . 16891 1 277 . 1 1 81 81 SER CA C 13 62.382 0.112 . 1 . . . . 81 SER CA . 16891 1 278 . 1 1 81 81 SER N N 15 116.738 0.070 . 1 . . . . 81 SER N . 16891 1 279 . 1 1 82 82 ALA H H 1 8.553 0.013 . 1 . . . . 82 ALA HN . 16891 1 280 . 1 1 82 82 ALA CA C 13 55.105 0.057 . 1 . . . . 82 ALA CA . 16891 1 281 . 1 1 82 82 ALA CB C 13 17.718 0.083 . 1 . . . . 82 ALA CB . 16891 1 282 . 1 1 82 82 ALA N N 15 123.688 0.055 . 1 . . . . 82 ALA N . 16891 1 283 . 1 1 83 83 LEU H H 1 7.620 0.002 . 1 . . . . 83 LEU HN . 16891 1 284 . 1 1 83 83 LEU CA C 13 56.184 0.024 . 1 . . . . 83 LEU CA . 16891 1 285 . 1 1 83 83 LEU CB C 13 41.847 0.015 . 1 . . . . 83 LEU CB . 16891 1 286 . 1 1 83 83 LEU N N 15 118.588 0.023 . 1 . . . . 83 LEU N . 16891 1 287 . 1 1 84 84 SER H H 1 8.450 0.003 . 1 . . . . 84 SER HN . 16891 1 288 . 1 1 84 84 SER CA C 13 60.934 0.059 . 1 . . . . 84 SER CA . 16891 1 289 . 1 1 84 84 SER CB C 13 61.980 0.012 . 1 . . . . 84 SER CB . 16891 1 290 . 1 1 84 84 SER N N 15 121.228 0.061 . 1 . . . . 84 SER N . 16891 1 291 . 1 1 85 85 ASP H H 1 7.623 0.002 . 1 . . . . 85 ASP HN . 16891 1 292 . 1 1 85 85 ASP CA C 13 57.801 0.046 . 1 . . . . 85 ASP CA . 16891 1 293 . 1 1 85 85 ASP CB C 13 40.697 0.064 . 1 . . . . 85 ASP CB . 16891 1 294 . 1 1 85 85 ASP N N 15 121.693 0.045 . 1 . . . . 85 ASP N . 16891 1 295 . 1 1 86 86 LEU H H 1 7.265 0.004 . 1 . . . . 86 LEU HN . 16891 1 296 . 1 1 86 86 LEU CA C 13 57.648 0.059 . 1 . . . . 86 LEU CA . 16891 1 297 . 1 1 86 86 LEU CB C 13 41.867 0.109 . 1 . . . . 86 LEU CB . 16891 1 298 . 1 1 86 86 LEU N N 15 117.134 0.028 . 1 . . . . 86 LEU N . 16891 1 299 . 1 1 87 87 HIS H H 1 7.132 0.004 . 1 . . . . 87 HIS HN . 16891 1 300 . 1 1 87 87 HIS CA C 13 61.071 0.004 . 1 . . . . 87 HIS CA . 16891 1 301 . 1 1 87 87 HIS CB C 13 27.199 0.016 . 1 . . . . 87 HIS CB . 16891 1 302 . 1 1 87 87 HIS N N 15 112.021 0.080 . 1 . . . . 87 HIS N . 16891 1 303 . 1 1 88 88 ALA H H 1 8.278 0.010 . 1 . . . . 88 ALA HN . 16891 1 304 . 1 1 88 88 ALA CA C 13 53.961 0.017 . 1 . . . . 88 ALA CA . 16891 1 305 . 1 1 88 88 ALA CB C 13 19.138 0.055 . 1 . . . . 88 ALA CB . 16891 1 306 . 1 1 88 88 ALA N N 15 119.848 0.055 . 1 . . . . 88 ALA N . 16891 1 307 . 1 1 89 89 HIS H H 1 7.254 0.007 . 1 . . . . 89 HIS HN . 16891 1 308 . 1 1 89 89 HIS CA C 13 57.255 0.089 . 1 . . . . 89 HIS CA . 16891 1 309 . 1 1 89 89 HIS CB C 13 30.759 0.005 . 1 . . . . 89 HIS CB . 16891 1 310 . 1 1 89 89 HIS N N 15 113.559 0.055 . 1 . . . . 89 HIS N . 16891 1 311 . 1 1 90 90 LYS H H 1 7.511 0.003 . 1 . . . . 90 LYS HN . 16891 1 312 . 1 1 90 90 LYS CA C 13 58.955 0.050 . 1 . . . . 90 LYS CA . 16891 1 313 . 1 1 90 90 LYS CB C 13 32.057 0.019 . 1 . . . . 90 LYS CB . 16891 1 314 . 1 1 90 90 LYS N N 15 118.679 0.056 . 1 . . . . 90 LYS N . 16891 1 315 . 1 1 91 91 LEU H H 1 8.027 0.005 . 1 . . . . 91 LEU HN . 16891 1 316 . 1 1 91 91 LEU CA C 13 55.069 0.030 . 1 . . . . 91 LEU CA . 16891 1 317 . 1 1 91 91 LEU CB C 13 43.752 0.052 . 1 . . . . 91 LEU CB . 16891 1 318 . 1 1 91 91 LEU N N 15 114.807 0.050 . 1 . . . . 91 LEU N . 16891 1 319 . 1 1 92 92 ARG H H 1 6.295 0.008 . 1 . . . . 92 ARG HN . 16891 1 320 . 1 1 92 92 ARG CA C 13 56.499 0.042 . 1 . . . . 92 ARG CA . 16891 1 321 . 1 1 92 92 ARG N N 15 112.319 0.044 . 1 . . . . 92 ARG N . 16891 1 322 . 1 1 93 93 VAL H H 1 7.765 0.003 . 1 . . . . 93 VAL HN . 16891 1 323 . 1 1 93 93 VAL CA C 13 63.231 0.030 . 1 . . . . 93 VAL CA . 16891 1 324 . 1 1 93 93 VAL CB C 13 31.851 0.027 . 1 . . . . 93 VAL CB . 16891 1 325 . 1 1 93 93 VAL N N 15 119.206 0.021 . 1 . . . . 93 VAL N . 16891 1 326 . 1 1 94 94 ASP H H 1 7.582 0.003 . 1 . . . . 94 ASP HN . 16891 1 327 . 1 1 94 94 ASP CA C 13 53.233 0.018 . 1 . . . . 94 ASP CA . 16891 1 328 . 1 1 94 94 ASP CB C 13 41.782 0.000 . 1 . . . . 94 ASP CB . 16891 1 329 . 1 1 94 94 ASP N N 15 128.294 0.026 . 1 . . . . 94 ASP N . 16891 1 330 . 1 1 95 95 PRO CA C 13 65.532 0.000 . 1 . . . . 95 PRO CA . 16891 1 331 . 1 1 95 95 PRO CB C 13 32.904 0.000 . 1 . . . . 95 PRO CB . 16891 1 332 . 1 1 96 96 VAL H H 1 8.918 0.012 . 1 . . . . 96 VAL HN . 16891 1 333 . 1 1 96 96 VAL CA C 13 65.576 0.043 . 1 . . . . 96 VAL CA . 16891 1 334 . 1 1 96 96 VAL CB C 13 31.177 0.000 . 1 . . . . 96 VAL CB . 16891 1 335 . 1 1 96 96 VAL N N 15 119.512 0.059 . 1 . . . . 96 VAL N . 16891 1 336 . 1 1 97 97 ASN H H 1 8.257 0.010 . 1 . . . . 97 ASN HN . 16891 1 337 . 1 1 97 97 ASN CA C 13 56.861 0.031 . 1 . . . . 97 ASN CA . 16891 1 338 . 1 1 97 97 ASN CB C 13 40.707 0.021 . 1 . . . . 97 ASN CB . 16891 1 339 . 1 1 97 97 ASN N N 15 116.457 0.080 . 1 . . . . 97 ASN N . 16891 1 340 . 1 1 98 98 PHE H H 1 8.089 0.013 . 1 . . . . 98 PHE HN . 16891 1 341 . 1 1 98 98 PHE CA C 13 62.732 0.048 . 1 . . . . 98 PHE CA . 16891 1 342 . 1 1 98 98 PHE CB C 13 37.038 0.033 . 1 . . . . 98 PHE CB . 16891 1 343 . 1 1 98 98 PHE N N 15 118.153 0.044 . 1 . . . . 98 PHE N . 16891 1 344 . 1 1 99 99 LYS H H 1 7.564 0.004 . 1 . . . . 99 LYS HN . 16891 1 345 . 1 1 99 99 LYS CA C 13 59.346 0.015 . 1 . . . . 99 LYS CA . 16891 1 346 . 1 1 99 99 LYS N N 15 122.005 0.073 . 1 . . . . 99 LYS N . 16891 1 347 . 1 1 100 100 LEU H H 1 7.369 0.006 . 1 . . . . 100 LEU HN . 16891 1 348 . 1 1 100 100 LEU CA C 13 57.681 0.035 . 1 . . . . 100 LEU CA . 16891 1 349 . 1 1 100 100 LEU CB C 13 39.295 0.000 . 1 . . . . 100 LEU CB . 16891 1 350 . 1 1 100 100 LEU N N 15 118.656 0.069 . 1 . . . . 100 LEU N . 16891 1 351 . 1 1 101 101 LEU H H 1 8.239 0.010 . 1 . . . . 101 LEU HN . 16891 1 352 . 1 1 101 101 LEU CA C 13 58.659 0.098 . 1 . . . . 101 LEU CA . 16891 1 353 . 1 1 101 101 LEU CB C 13 40.976 0.105 . 1 . . . . 101 LEU CB . 16891 1 354 . 1 1 101 101 LEU N N 15 120.236 0.057 . 1 . . . . 101 LEU N . 16891 1 355 . 1 1 102 102 SER H H 1 8.482 0.005 . 1 . . . . 102 SER HN . 16891 1 356 . 1 1 102 102 SER CA C 13 64.084 0.029 . 1 . . . . 102 SER CA . 16891 1 357 . 1 1 102 102 SER CB C 13 62.608 0.000 . 1 . . . . 102 SER CB . 16891 1 358 . 1 1 102 102 SER N N 15 115.148 0.059 . 1 . . . . 102 SER N . 16891 1 359 . 1 1 103 103 HIS H H 1 8.059 0.003 . 1 . . . . 103 HIS HN . 16891 1 360 . 1 1 103 103 HIS N N 15 123.233 0.058 . 1 . . . . 103 HIS N . 16891 1 361 . 1 1 105 105 LEU H H 1 9.118 0.007 . 1 . . . . 105 LEU HN . 16891 1 362 . 1 1 105 105 LEU N N 15 124.277 0.115 . 1 . . . . 105 LEU N . 16891 1 363 . 1 1 111 111 ALA CB C 13 17.793 0.000 . 1 . . . . 111 ALA CB . 16891 1 364 . 1 1 112 112 HIS H H 1 7.071 0.006 . 1 . . . . 112 HIS HN . 16891 1 365 . 1 1 112 112 HIS CA C 13 57.118 0.000 . 1 . . . . 112 HIS CA . 16891 1 366 . 1 1 112 112 HIS N N 15 112.694 0.029 . 1 . . . . 112 HIS N . 16891 1 367 . 1 1 115 115 ALA H H 1 8.363 0.011 . 1 . . . . 115 ALA HN . 16891 1 368 . 1 1 115 115 ALA CA C 13 53.927 0.031 . 1 . . . . 115 ALA CA . 16891 1 369 . 1 1 115 115 ALA CB C 13 18.508 0.000 . 1 . . . . 115 ALA CB . 16891 1 370 . 1 1 115 115 ALA N N 15 118.770 0.010 . 1 . . . . 115 ALA N . 16891 1 371 . 1 1 116 116 GLU H H 1 7.956 0.009 . 1 . . . . 116 GLU HN . 16891 1 372 . 1 1 116 116 GLU CA C 13 57.015 0.000 . 1 . . . . 116 GLU CA . 16891 1 373 . 1 1 116 116 GLU N N 15 115.111 0.012 . 1 . . . . 116 GLU N . 16891 1 374 . 1 1 117 117 PHE CB C 13 37.169 0.000 . 1 . . . . 117 PHE CB . 16891 1 375 . 1 1 118 118 THR H H 1 7.500 0.008 . 1 . . . . 118 THR HN . 16891 1 376 . 1 1 118 118 THR CA C 13 60.540 0.000 . 1 . . . . 118 THR CA . 16891 1 377 . 1 1 118 118 THR CB C 13 68.038 0.000 . 1 . . . . 118 THR CB . 16891 1 378 . 1 1 118 118 THR N N 15 114.493 0.057 . 1 . . . . 118 THR N . 16891 1 379 . 1 1 120 120 ALA CA C 13 54.891 0.000 . 1 . . . . 120 ALA CA . 16891 1 380 . 1 1 120 120 ALA CB C 13 18.606 0.000 . 1 . . . . 120 ALA CB . 16891 1 381 . 1 1 121 121 VAL H H 1 7.453 0.002 . 1 . . . . 121 VAL HN . 16891 1 382 . 1 1 121 121 VAL CA C 13 67.345 0.000 . 1 . . . . 121 VAL CA . 16891 1 383 . 1 1 121 121 VAL N N 15 120.686 0.047 . 1 . . . . 121 VAL N . 16891 1 384 . 1 1 126 126 ASP CA C 13 57.820 0.021 . 1 . . . . 126 ASP CA . 16891 1 385 . 1 1 126 126 ASP CB C 13 41.810 0.000 . 1 . . . . 126 ASP CB . 16891 1 386 . 1 1 127 127 LYS H H 1 8.046 0.009 . 1 . . . . 127 LYS HN . 16891 1 387 . 1 1 127 127 LYS CA C 13 59.896 0.033 . 1 . . . . 127 LYS CA . 16891 1 388 . 1 1 127 127 LYS CB C 13 32.728 0.000 . 1 . . . . 127 LYS CB . 16891 1 389 . 1 1 127 127 LYS N N 15 119.204 0.103 . 1 . . . . 127 LYS N . 16891 1 390 . 1 1 128 128 PHE H H 1 8.825 0.019 . 1 . . . . 128 PHE HN . 16891 1 391 . 1 1 128 128 PHE CA C 13 61.364 0.046 . 1 . . . . 128 PHE CA . 16891 1 392 . 1 1 128 128 PHE CB C 13 39.910 0.000 . 1 . . . . 128 PHE CB . 16891 1 393 . 1 1 128 128 PHE N N 15 122.240 0.051 . 1 . . . . 128 PHE N . 16891 1 394 . 1 1 129 129 LEU H H 1 9.122 0.009 . 1 . . . . 129 LEU HN . 16891 1 395 . 1 1 129 129 LEU CA C 13 58.085 0.009 . 1 . . . . 129 LEU CA . 16891 1 396 . 1 1 129 129 LEU CB C 13 39.816 0.022 . 1 . . . . 129 LEU CB . 16891 1 397 . 1 1 129 129 LEU N N 15 121.319 0.066 . 1 . . . . 129 LEU N . 16891 1 398 . 1 1 130 130 ALA H H 1 8.615 0.016 . 1 . . . . 130 ALA HN . 16891 1 399 . 1 1 130 130 ALA CA C 13 55.378 0.000 . 1 . . . . 130 ALA CA . 16891 1 400 . 1 1 130 130 ALA CB C 13 17.590 0.000 . 1 . . . . 130 ALA CB . 16891 1 401 . 1 1 130 130 ALA N N 15 125.241 0.064 . 1 . . . . 130 ALA N . 16891 1 402 . 1 1 131 131 SER H H 1 8.169 0.006 . 1 . . . . 131 SER HN . 16891 1 403 . 1 1 131 131 SER CA C 13 62.657 0.052 . 1 . . . . 131 SER CA . 16891 1 404 . 1 1 131 131 SER CB C 13 63.731 0.000 . 1 . . . . 131 SER CB . 16891 1 405 . 1 1 131 131 SER N N 15 118.225 0.024 . 1 . . . . 131 SER N . 16891 1 406 . 1 1 132 132 VAL H H 1 8.322 0.005 . 1 . . . . 132 VAL HN . 16891 1 407 . 1 1 132 132 VAL CA C 13 66.770 0.040 . 1 . . . . 132 VAL CA . 16891 1 408 . 1 1 132 132 VAL CB C 13 31.965 0.000 . 1 . . . . 132 VAL CB . 16891 1 409 . 1 1 132 132 VAL N N 15 123.066 0.061 . 1 . . . . 132 VAL N . 16891 1 410 . 1 1 133 133 SER H H 1 8.301 0.003 . 1 . . . . 133 SER HN . 16891 1 411 . 1 1 133 133 SER CA C 13 63.374 0.037 . 1 . . . . 133 SER CA . 16891 1 412 . 1 1 133 133 SER CB C 13 62.250 0.077 . 1 . . . . 133 SER CB . 16891 1 413 . 1 1 133 133 SER N N 15 115.271 0.022 . 1 . . . . 133 SER N . 16891 1 414 . 1 1 134 134 THR H H 1 8.244 0.003 . 1 . . . . 134 THR HN . 16891 1 415 . 1 1 134 134 THR CA C 13 66.817 0.031 . 1 . . . . 134 THR CA . 16891 1 416 . 1 1 134 134 THR CB C 13 68.553 0.048 . 1 . . . . 134 THR CB . 16891 1 417 . 1 1 134 134 THR N N 15 120.132 0.052 . 1 . . . . 134 THR N . 16891 1 418 . 1 1 135 135 VAL H H 1 7.564 0.005 . 1 . . . . 135 VAL HN . 16891 1 419 . 1 1 135 135 VAL CA C 13 66.423 0.032 . 1 . . . . 135 VAL CA . 16891 1 420 . 1 1 135 135 VAL CB C 13 30.855 0.139 . 1 . . . . 135 VAL CB . 16891 1 421 . 1 1 135 135 VAL N N 15 122.040 0.037 . 1 . . . . 135 VAL N . 16891 1 422 . 1 1 136 136 LEU H H 1 7.866 0.010 . 1 . . . . 136 LEU HN . 16891 1 423 . 1 1 136 136 LEU CA C 13 57.182 0.062 . 1 . . . . 136 LEU CA . 16891 1 424 . 1 1 136 136 LEU CB C 13 41.274 0.079 . 1 . . . . 136 LEU CB . 16891 1 425 . 1 1 136 136 LEU N N 15 118.755 0.154 . 1 . . . . 136 LEU N . 16891 1 426 . 1 1 137 137 THR H H 1 6.758 0.005 . 1 . . . . 137 THR HN . 16891 1 427 . 1 1 137 137 THR CA C 13 60.539 0.132 . 1 . . . . 137 THR CA . 16891 1 428 . 1 1 137 137 THR CB C 13 69.993 0.007 . 1 . . . . 137 THR CB . 16891 1 429 . 1 1 137 137 THR N N 15 102.434 0.086 . 1 . . . . 137 THR N . 16891 1 430 . 1 1 138 138 SER H H 1 7.281 0.006 . 1 . . . . 138 SER HN . 16891 1 431 . 1 1 138 138 SER CA C 13 59.628 0.020 . 1 . . . . 138 SER CA . 16891 1 432 . 1 1 138 138 SER CB C 13 63.640 0.074 . 1 . . . . 138 SER CB . 16891 1 433 . 1 1 138 138 SER N N 15 119.086 0.044 . 1 . . . . 138 SER N . 16891 1 434 . 1 1 139 139 LYS H H 1 8.044 0.003 . 1 . . . . 139 LYS HN . 16891 1 435 . 1 1 139 139 LYS CA C 13 55.773 0.086 . 1 . . . . 139 LYS CA . 16891 1 436 . 1 1 139 139 LYS CB C 13 32.477 0.050 . 1 . . . . 139 LYS CB . 16891 1 437 . 1 1 139 139 LYS N N 15 120.731 0.063 . 1 . . . . 139 LYS N . 16891 1 438 . 1 1 140 140 TYR H H 1 8.038 0.006 . 1 . . . . 140 TYR HN . 16891 1 439 . 1 1 140 140 TYR CA C 13 58.638 0.068 . 1 . . . . 140 TYR CA . 16891 1 440 . 1 1 140 140 TYR CB C 13 38.691 0.064 . 1 . . . . 140 TYR CB . 16891 1 441 . 1 1 140 140 TYR N N 15 121.595 0.037 . 1 . . . . 140 TYR N . 16891 1 442 . 1 1 141 141 ARG H H 1 7.637 0.008 . 1 . . . . 141 ARG HN . 16891 1 443 . 1 1 141 141 ARG CA C 13 57.178 0.000 . 1 . . . . 141 ARG CA . 16891 1 444 . 1 1 141 141 ARG CB C 13 31.742 0.000 . 1 . . . . 141 ARG CB . 16891 1 445 . 1 1 141 141 ARG N N 15 128.291 0.016 . 1 . . . . 141 ARG N . 16891 1 stop_ save_