################################### # 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 16168 _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 1H-15N NOESY' . . . 16168 1 2 '2D 1H-15N HSQC' . . . 16168 1 3 '3D HNCA' . . . 16168 1 4 '3D HNCACB' . . . 16168 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 1 1 GLU HA H 1 4.221 0.006 . 1 . . . . 1 E HA . 16168 1 2 . 1 1 1 1 GLU HB2 H 1 2.216 0.005 . 2 . . . . 1 E HB# . 16168 1 3 . 1 1 1 1 GLU HB3 H 1 2.216 0.005 . 2 . . . . 1 E HB# . 16168 1 4 . 1 1 1 1 GLU HG2 H 1 2.538 0.003 . 2 . . . . 1 E HG# . 16168 1 5 . 1 1 1 1 GLU HG3 H 1 2.538 0.003 . 2 . . . . 1 E HG# . 16168 1 6 . 1 1 1 1 GLU CA C 13 55.808 0.125 . 1 . . . . 1 E CA . 16168 1 7 . 1 1 1 1 GLU CB C 13 29.749 0.054 . 1 . . . . 1 E CB . 16168 1 8 . 1 1 2 2 SER H H 1 8.707 0.007 . 1 . . . . 2 S HN . 16168 1 9 . 1 1 2 2 SER HA H 1 4.638 0.001 . 1 . . . . 2 S HA . 16168 1 10 . 1 1 2 2 SER HB2 H 1 3.98 0.005 . 2 . . . . 2 S HB# . 16168 1 11 . 1 1 2 2 SER HB3 H 1 3.98 0.005 . 2 . . . . 2 S HB# . 16168 1 12 . 1 1 2 2 SER CA C 13 56.699 0.078 . 1 . . . . 2 S CA . 16168 1 13 . 1 1 2 2 SER CB C 13 63.978 0.038 . 1 . . . . 2 S CB . 16168 1 14 . 1 1 2 2 SER N N 15 118.975 0.034 . 1 . . . . 2 S N . 16168 1 15 . 1 1 3 3 PRO HA H 1 4.533 0.042 . 1 . . . . 3 P HA . 16168 1 16 . 1 1 3 3 PRO HB2 H 1 2.076 0.008 . 2 . . . . 3 P HB# . 16168 1 17 . 1 1 3 3 PRO HB3 H 1 2.076 0.008 . 2 . . . . 3 P HB# . 16168 1 18 . 1 1 3 3 PRO HD2 H 1 3.971 0.001 . 2 . . . . 3 P HD# . 16168 1 19 . 1 1 3 3 PRO HD3 H 1 3.971 0.001 . 2 . . . . 3 P HD# . 16168 1 20 . 1 1 3 3 PRO HG2 H 1 2.412 0.003 . 2 . . . . 3 P HG# . 16168 1 21 . 1 1 3 3 PRO HG3 H 1 2.412 0.003 . 2 . . . . 3 P HG# . 16168 1 22 . 1 1 3 3 PRO CA C 13 64.301 0.103 . 1 . . . . 3 P CA . 16168 1 23 . 1 1 3 3 PRO CB C 13 32.998 0.085 . 1 . . . . 3 P CB . 16168 1 24 . 1 1 4 4 LYS H H 1 8.117 0.006 . 1 . . . . 4 K HN . 16168 1 25 . 1 1 4 4 LYS HA H 1 4.314 0.012 . 1 . . . . 4 K HA . 16168 1 26 . 1 1 4 4 LYS HB2 H 1 1.861 0.021 . 2 . . . . 4 K HB# . 16168 1 27 . 1 1 4 4 LYS HB3 H 1 1.861 0.021 . 2 . . . . 4 K HB# . 16168 1 28 . 1 1 4 4 LYS HD2 H 1 1.832 0.005 . 2 . . . . 4 K HD# . 16168 1 29 . 1 1 4 4 LYS HD3 H 1 1.832 0.005 . 2 . . . . 4 K HD# . 16168 1 30 . 1 1 4 4 LYS HG2 H 1 1.525 0.005 . 2 . . . . 4 K HG# . 16168 1 31 . 1 1 4 4 LYS HG3 H 1 1.525 0.005 . 2 . . . . 4 K HG# . 16168 1 32 . 1 1 4 4 LYS CA C 13 56.918 0.055 . 1 . . . . 4 K CA . 16168 1 33 . 1 1 4 4 LYS CB C 13 33.01 0.042 . 1 . . . . 4 K CB . 16168 1 34 . 1 1 4 4 LYS N N 15 118.277 0.189 . 1 . . . . 4 K N . 16168 1 35 . 1 1 5 5 GLU HA H 1 4.302 0.004 . 1 . . . . 5 E HA . 16168 1 36 . 1 1 5 5 GLU HB2 H 1 2.066 0.005 . 1 . . . . 5 E HB1 . 16168 1 37 . 1 1 5 5 GLU HB3 H 1 1.988 0.008 . 1 . . . . 5 E HB2 . 16168 1 38 . 1 1 5 5 GLU HG2 H 1 2.37 0.008 . 2 . . . . 5 E HG# . 16168 1 39 . 1 1 5 5 GLU HG3 H 1 2.37 0.008 . 2 . . . . 5 E HG# . 16168 1 40 . 1 1 5 5 GLU CA C 13 56.505 0.048 . 1 . . . . 5 E CA . 16168 1 41 . 1 1 5 5 GLU CB C 13 38.736 0.024 . 1 . . . . 5 E CB . 16168 1 42 . 1 1 6 6 HIS H H 1 8.075 0.021 . 1 . . . . 6 H HN . 16168 1 43 . 1 1 6 6 HIS HA H 1 4.352 0.010 . 1 . . . . 6 H HA . 16168 1 44 . 1 1 6 6 HIS HB2 H 1 3.293 0.008 . 2 . . . . 6 H HB# . 16168 1 45 . 1 1 6 6 HIS HB3 H 1 3.293 0.008 . 2 . . . . 6 H HB# . 16168 1 46 . 1 1 6 6 HIS HD2 H 1 7.449 0.008 . 1 . . . . 6 H HD2 . 16168 1 47 . 1 1 6 6 HIS CA C 13 55 0.017 . 1 . . . . 6 H CA . 16168 1 48 . 1 1 6 6 HIS CB C 13 29.504 0.021 . 1 . . . . 6 H CB . 16168 1 49 . 1 1 6 6 HIS N N 15 117.435 0.133 . 1 . . . . 6 H N . 16168 1 50 . 1 1 7 7 ASP H H 1 8.249 0.010 . 1 . . . . 7 D HN . 16168 1 51 . 1 1 7 7 ASP HA H 1 4.796 0.001 . 1 . . . . 7 D HA . 16168 1 52 . 1 1 7 7 ASP HB2 H 1 3.009 0.004 . 1 . . . . 7 D HB1 . 16168 1 53 . 1 1 7 7 ASP HB3 H 1 2.771 0.007 . 1 . . . . 7 D HB2 . 16168 1 54 . 1 1 7 7 ASP CA C 13 51.877 0.070 . 1 . . . . 7 D CA . 16168 1 55 . 1 1 7 7 ASP CB C 13 39.384 0.061 . 1 . . . . 7 D CB . 16168 1 56 . 1 1 7 7 ASP N N 15 120.163 0.055 . 1 . . . . 7 D N . 16168 1 57 . 1 1 8 8 PRO HA H 1 4.458 0.003 . 1 . . . . 8 P HA . 16168 1 58 . 1 1 8 8 PRO HB2 H 1 2.253 0.002 . 2 . . . . 8 P HB# . 16168 1 59 . 1 1 8 8 PRO HB3 H 1 2.253 0.002 . 2 . . . . 8 P HB# . 16168 1 60 . 1 1 8 8 PRO HD2 H 1 3.89 0.012 . 1 . . . . 8 P HD1 . 16168 1 61 . 1 1 8 8 PRO HD3 H 1 3.746 0.021 . 1 . . . . 8 P HD2 . 16168 1 62 . 1 1 8 8 PRO HG2 H 1 1.717 0.025 . 2 . . . . 8 P HG# . 16168 1 63 . 1 1 8 8 PRO HG3 H 1 1.717 0.025 . 2 . . . . 8 P HG# . 16168 1 64 . 1 1 8 8 PRO CA C 13 63.863 0.061 . 1 . . . . 8 P CA . 16168 1 65 . 1 1 8 8 PRO CB C 13 32.512 0.038 . 1 . . . . 8 P CB . 16168 1 66 . 1 1 9 9 PHE H H 1 7.959 0.010 . 1 . . . . 9 F HN . 16168 1 67 . 1 1 9 9 PHE HA H 1 4.783 0.002 . 1 . . . . 9 F HA . 16168 1 68 . 1 1 9 9 PHE HB2 H 1 3.365 0.003 . 1 . . . . 9 F HB1 . 16168 1 69 . 1 1 9 9 PHE HB3 H 1 3.228 0.083 . 1 . . . . 9 F HB2 . 16168 1 70 . 1 1 9 9 PHE HD1 H 1 7.435 0.009 . 3 . . . . 9 F HD# . 16168 1 71 . 1 1 9 9 PHE HD2 H 1 7.435 0.009 . 3 . . . . 9 F HD# . 16168 1 72 . 1 1 9 9 PHE CA C 13 58.261 0.059 . 1 . . . . 9 F CA . 16168 1 73 . 1 1 9 9 PHE CB C 13 39.19 0.031 . 1 . . . . 9 F CB . 16168 1 74 . 1 1 9 9 PHE N N 15 118.64 0.194 . 1 . . . . 9 F N . 16168 1 75 . 1 1 10 10 THR H H 1 7.897 0.013 . 1 . . . . 10 T HN . 16168 1 76 . 1 1 10 10 THR HA H 1 4.44 0.002 . 1 . . . . 10 T HA . 16168 1 77 . 1 1 10 10 THR HB H 1 4.261 0.005 . 1 . . . . 10 T HB . 16168 1 78 . 1 1 10 10 THR HG21 H 1 1.182 0.002 . 1 . . . . 10 T HG2# . 16168 1 79 . 1 1 10 10 THR HG22 H 1 1.182 0.002 . 1 . . . . 10 T HG2# . 16168 1 80 . 1 1 10 10 THR HG23 H 1 1.182 0.002 . 1 . . . . 10 T HG2# . 16168 1 81 . 1 1 10 10 THR CA C 13 62.056 0.027 . 1 . . . . 10 T CA . 16168 1 82 . 1 1 10 10 THR CB C 13 70.112 0.036 . 1 . . . . 10 T CB . 16168 1 83 . 1 1 10 10 THR N N 15 112.714 0.04 . 1 . . . . 10 T N . 16168 1 84 . 1 1 11 11 TYR H H 1 7.615 0.013 . 1 . . . . 11 Y HN . 16168 1 85 . 1 1 11 11 TYR HA H 1 4.471 0.004 . 1 . . . . 11 Y HA . 16168 1 86 . 1 1 11 11 TYR HB2 H 1 2.918 0.01 . 2 . . . . 11 Y HB# . 16168 1 87 . 1 1 11 11 TYR HB3 H 1 2.918 0.01 . 2 . . . . 11 Y HB# . 16168 1 88 . 1 1 11 11 TYR HD1 H 1 7.013 0.005 . 3 . . . . 11 Y HD# . 16168 1 89 . 1 1 11 11 TYR HD2 H 1 7.013 0.005 . 3 . . . . 11 Y HD# . 16168 1 90 . 1 1 11 11 TYR CA C 13 58.365 0.055 . 1 . . . . 11 Y CA . 16168 1 91 . 1 1 11 11 TYR CB C 13 70.116 0.061 . 1 . . . . 11 Y CB . 16168 1 92 . 1 1 11 11 TYR N N 15 122.022 0.052 . 1 . . . . 11 Y N . 16168 1 93 . 1 1 12 12 ASP H H 1 7.954 0.017 . 1 . . . . 12 D HN . 16168 1 94 . 1 1 12 12 ASP HA H 1 4.8 0.007 . 1 . . . . 12 D HA . 16168 1 95 . 1 1 12 12 ASP HB2 H 1 2.841 0.012 . 1 . . . . 12 D HB1 . 16168 1 96 . 1 1 12 12 ASP HB3 H 1 2.683 0.004 . 1 . . . . 12 D HB2 . 16168 1 97 . 1 1 12 12 ASP CA C 13 53.013 0.021 . 1 . . . . 12 D CA . 16168 1 98 . 1 1 12 12 ASP CB C 13 39.384 0.061 . 1 . . . . 12 D CB . 16168 1 99 . 1 1 12 12 ASP N N 15 121.56 0.134 . 1 . . . . 12 D N . 16168 1 100 . 1 1 13 13 TYR H H 1 7.949 0.011 . 1 . . . . 13 Y HN . 16168 1 101 . 1 1 13 13 TYR HA H 1 4.435 0.006 . 1 . . . . 13 Y HA . 16168 1 102 . 1 1 13 13 TYR HB2 H 1 3.117 0.004 . 2 . . . . 13 Y HB# . 16168 1 103 . 1 1 13 13 TYR HB3 H 1 3.117 0.004 . 2 . . . . 13 Y HB# . 16168 1 104 . 1 1 13 13 TYR HD1 H 1 7.178 0.005 . 3 . . . . 13 Y HD# . 16168 1 105 . 1 1 13 13 TYR HD2 H 1 7.178 0.005 . 3 . . . . 13 Y HD# . 16168 1 106 . 1 1 13 13 TYR CA C 13 59.555 0.101 . 1 . . . . 13 Y CA . 16168 1 107 . 1 1 13 13 TYR CB C 13 39.589 0.085 . 1 . . . . 13 Y CB . 16168 1 108 . 1 1 13 13 TYR N N 15 121.914 0.123 . 1 . . . . 13 Y N . 16168 1 109 . 1 1 14 14 GLN H H 1 8.173 0.009 . 1 . . . . 14 Q HN . 16168 1 110 . 1 1 14 14 GLN HA H 1 4.222 0.008 . 1 . . . . 14 Q HA . 16168 1 111 . 1 1 14 14 GLN HB2 H 1 2.155 0.001 . 2 . . . . 14 Q HB# . 16168 1 112 . 1 1 14 14 GLN HB3 H 1 2.155 0.001 . 2 . . . . 14 Q HB# . 16168 1 113 . 1 1 14 14 GLN HG2 H 1 2.369 0.01 . 2 . . . . 14 Q HG# . 16168 1 114 . 1 1 14 14 GLN HG3 H 1 2.369 0.01 . 2 . . . . 14 Q HG# . 16168 1 115 . 1 1 14 14 GLN CA C 13 57.621 0.084 . 1 . . . . 14 Q CA . 16168 1 116 . 1 1 14 14 GLN CB C 13 28.821 0.061 . 1 . . . . 14 Q CB . 16168 1 117 . 1 1 14 14 GLN N N 15 119.118 0.059 . 1 . . . . 14 Q N . 16168 1 118 . 1 1 15 15 SER H H 1 7.888 0.017 . 1 . . . . 15 S HN . 16168 1 119 . 1 1 15 15 SER HA H 1 4.485 0.013 . 1 . . . . 15 S HA . 16168 1 120 . 1 1 15 15 SER HB2 H 1 3.985 0.006 . 2 . . . . 15 S HB# . 16168 1 121 . 1 1 15 15 SER HB3 H 1 3.985 0.006 . 2 . . . . 15 S HB# . 16168 1 122 . 1 1 15 15 SER CA C 13 59.326 0.024 . 1 . . . . 15 S CA . 16168 1 123 . 1 1 15 15 SER CB C 13 64.123 0.032 . 1 . . . . 15 S CB . 16168 1 124 . 1 1 15 15 SER N N 15 114.275 0.065 . 1 . . . . 15 S N . 16168 1 125 . 1 1 16 16 LEU H H 1 7.791 0.013 . 1 . . . . 16 L HN . 16168 1 126 . 1 1 16 16 LEU HA H 1 4.43 0.016 . 1 . . . . 16 L HA . 16168 1 127 . 1 1 16 16 LEU HB2 H 1 1.892 0.007 . 2 . . . . 16 L HB# . 16168 1 128 . 1 1 16 16 LEU HB3 H 1 1.892 0.007 . 2 . . . . 16 L HB# . 16168 1 129 . 1 1 16 16 LEU HD11 H 1 1.023 0.008 . 2 . . . . 16 L HD1 . 16168 1 130 . 1 1 16 16 LEU HD12 H 1 1.023 0.008 . 2 . . . . 16 L HD1 . 16168 1 131 . 1 1 16 16 LEU HD13 H 1 1.023 0.008 . 2 . . . . 16 L HD1 . 16168 1 132 . 1 1 16 16 LEU HD21 H 1 1.023 0.008 . 2 . . . . 16 L HD2 . 16168 1 133 . 1 1 16 16 LEU HD22 H 1 1.023 0.008 . 2 . . . . 16 L HD2 . 16168 1 134 . 1 1 16 16 LEU HD23 H 1 1.023 0.008 . 2 . . . . 16 L HD2 . 16168 1 135 . 1 1 16 16 LEU HG H 1 1.672 0.012 . 1 . . . . 16 L HG . 16168 1 136 . 1 1 16 16 LEU CA C 13 55.849 0.044 . 1 . . . . 16 L CA . 16168 1 137 . 1 1 16 16 LEU CB C 13 43.036 0.081 . 1 . . . . 16 L CB . 16168 1 138 . 1 1 16 16 LEU N N 15 122.606 0.028 . 1 . . . . 16 L N . 16168 1 139 . 1 1 17 17 GLN H H 1 8.281 0.006 . 1 . . . . 17 Q HN . 16168 1 140 . 1 1 17 17 GLN HA H 1 4.426 0.008 . 1 . . . . 17 Q HA . 16168 1 141 . 1 1 17 17 GLN HB2 H 1 2.211 0.005 . 2 . . . . 17 Q HB# . 16168 1 142 . 1 1 17 17 GLN HB3 H 1 2.211 0.005 . 2 . . . . 17 Q HB# . 16168 1 143 . 1 1 17 17 GLN HG2 H 1 2.456 0.001 . 2 . . . . 17 Q HG# . 16168 1 144 . 1 1 17 17 GLN HG3 H 1 2.456 0.001 . 2 . . . . 17 Q HG# . 16168 1 145 . 1 1 17 17 GLN CA C 13 56.5 0.050 . 1 . . . . 17 Q CA . 16168 1 146 . 1 1 17 17 GLN CB C 13 29.338 0.090 . 1 . . . . 17 Q CB . 16168 1 147 . 1 1 17 17 GLN N N 15 120.232 0.059 . 1 . . . . 17 Q N . 16168 1 148 . 1 1 18 18 ILE H H 1 7.807 0.014 . 1 . . . . 18 I HN . 16168 1 149 . 1 1 18 18 ILE HA H 1 4.238 0.002 . 1 . . . . 18 I HA . 16168 1 150 . 1 1 18 18 ILE HB H 1 2.009 0.004 . 1 . . . . 18 I HB . 16168 1 151 . 1 1 18 18 ILE HD11 H 1 1.007 0.003 . 1 . . . . 18 I HD1# . 16168 1 152 . 1 1 18 18 ILE HD12 H 1 1.007 0.003 . 1 . . . . 18 I HD1# . 16168 1 153 . 1 1 18 18 ILE HD13 H 1 1.007 0.003 . 1 . . . . 18 I HD1# . 16168 1 154 . 1 1 18 18 ILE HG12 H 1 1.645 0.007 . 1 . . . . 18 I HG11 . 16168 1 155 . 1 1 18 18 ILE HG13 H 1 1.308 0.002 . 1 . . . . 18 I HG12 . 16168 1 156 . 1 1 18 18 ILE HG21 H 1 1.034 0.005 . 1 . . . . 18 I HG2# . 16168 1 157 . 1 1 18 18 ILE HG22 H 1 1.034 0.005 . 1 . . . . 18 I HG2# . 16168 1 158 . 1 1 18 18 ILE HG23 H 1 1.034 0.005 . 1 . . . . 18 I HG2# . 16168 1 159 . 1 1 18 18 ILE CA C 13 61.932 0.121 . 1 . . . . 18 I CA . 16168 1 160 . 1 1 18 18 ILE CB C 13 38.997 0.089 . 1 . . . . 18 I CB . 16168 1 161 . 1 1 18 18 ILE N N 15 118.727 0.028 . 1 . . . . 18 I N . 16168 1 162 . 1 1 19 19 GLY H H 1 8.106 0.019 . 1 . . . . 19 G HN . 16168 1 163 . 1 1 19 19 GLY HA2 H 1 4.054 0.002 . 2 . . . . 19 G HA# . 16168 1 164 . 1 1 19 19 GLY HA3 H 1 4.054 0.002 . 2 . . . . 19 G HA# . 16168 1 165 . 1 1 19 19 GLY CA C 13 46.338 0.078 . 1 . . . . 19 G CA . 16168 1 166 . 1 1 19 19 GLY N N 15 109.552 0.066 . 1 . . . . 19 G N . 16168 1 167 . 1 1 20 20 GLY H H 1 8.305 0.025 . 1 . . . . 20 G HN . 16168 1 168 . 1 1 20 20 GLY HA2 H 1 3.877 0.004 . 2 . . . . 20 G HA# . 16168 1 169 . 1 1 20 20 GLY HA3 H 1 3.877 0.004 . 2 . . . . 20 G HA# . 16168 1 170 . 1 1 20 20 GLY CA C 13 47.746 0.062 . 1 . . . . 20 G CA . 16168 1 171 . 1 1 20 20 GLY N N 15 107.332 0.073 . 1 . . . . 20 G N . 16168 1 172 . 1 1 21 21 LEU H H 1 8.046 0.006 . 1 . . . . 21 L HN . 16168 1 173 . 1 1 21 21 LEU HA H 1 4.172 0.008 . 1 . . . . 21 L HA . 16168 1 174 . 1 1 21 21 LEU HB2 H 1 1.998 0.012 . 2 . . . . 21 L HB# . 16168 1 175 . 1 1 21 21 LEU HB3 H 1 1.998 0.012 . 2 . . . . 21 L HB# . 16168 1 176 . 1 1 21 21 LEU HD11 H 1 1 0.015 . 2 . . . . 21 L HD1 . 16168 1 177 . 1 1 21 21 LEU HD12 H 1 1 0.015 . 2 . . . . 21 L HD1 . 16168 1 178 . 1 1 21 21 LEU HD13 H 1 1 0.015 . 2 . . . . 21 L HD1 . 16168 1 179 . 1 1 21 21 LEU HD21 H 1 1 0.015 . 2 . . . . 21 L HD2 . 16168 1 180 . 1 1 21 21 LEU HD22 H 1 1 0.015 . 2 . . . . 21 L HD2 . 16168 1 181 . 1 1 21 21 LEU HD23 H 1 1 0.015 . 2 . . . . 21 L HD2 . 16168 1 182 . 1 1 21 21 LEU HG H 1 1.654 0.014 . 1 . . . . 21 L HG . 16168 1 183 . 1 1 21 21 LEU CA C 13 58.14 0.037 . 1 . . . . 21 L CA . 16168 1 184 . 1 1 21 21 LEU CB C 13 41.812 0.151 . 1 . . . . 21 L CB . 16168 1 185 . 1 1 21 21 LEU N N 15 119.906 0.087 . 1 . . . . 21 L N . 16168 1 186 . 1 1 22 22 VAL H H 1 7.716 0.018 . 1 . . . . 22 V HN . 16168 1 187 . 1 1 22 22 VAL HA H 1 3.691 0.006 . 1 . . . . 22 V HA . 16168 1 188 . 1 1 22 22 VAL HB H 1 2.34 0.002 . 1 . . . . 22 V HB . 16168 1 189 . 1 1 22 22 VAL HG11 H 1 1.178 0.003 . 1 . . . . 22 V HG1# . 16168 1 190 . 1 1 22 22 VAL HG12 H 1 1.178 0.003 . 1 . . . . 22 V HG1# . 16168 1 191 . 1 1 22 22 VAL HG13 H 1 1.178 0.003 . 1 . . . . 22 V HG1# . 16168 1 192 . 1 1 22 22 VAL HG21 H 1 1.024 0.005 . 1 . . . . 22 V HG2# . 16168 1 193 . 1 1 22 22 VAL HG22 H 1 1.024 0.005 . 1 . . . . 22 V HG2# . 16168 1 194 . 1 1 22 22 VAL HG23 H 1 1.024 0.005 . 1 . . . . 22 V HG2# . 16168 1 195 . 1 1 22 22 VAL CA C 13 66.872 0.110 . 1 . . . . 22 V CA . 16168 1 196 . 1 1 22 22 VAL CB C 13 67.29 0.058 . 1 . . . . 22 V CB . 16168 1 197 . 1 1 22 22 VAL N N 15 117.489 0.046 . 1 . . . . 22 V N . 16168 1 198 . 1 1 23 23 ILE H H 1 7.707 0.012 . 1 . . . . 23 I HN . 16168 1 199 . 1 1 23 23 ILE HA H 1 3.679 0.002 . 1 . . . . 23 I HA . 16168 1 200 . 1 1 23 23 ILE HB H 1 2.056 0.001 . 1 . . . . 23 I HB . 16168 1 201 . 1 1 23 23 ILE HD11 H 1 0.955 0.019 . 1 . . . . 23 I HD1# . 16168 1 202 . 1 1 23 23 ILE HD12 H 1 0.955 0.019 . 1 . . . . 23 I HD1# . 16168 1 203 . 1 1 23 23 ILE HD13 H 1 0.955 0.019 . 1 . . . . 23 I HD1# . 16168 1 204 . 1 1 23 23 ILE HG12 H 1 1.802 0.002 . 1 . . . . 23 I HG12 . 16168 1 205 . 1 1 23 23 ILE HG21 H 1 0.941 0.014 . 1 . . . . 23 I HG2# . 16168 1 206 . 1 1 23 23 ILE HG22 H 1 0.941 0.014 . 1 . . . . 23 I HG2# . 16168 1 207 . 1 1 23 23 ILE HG23 H 1 0.941 0.014 . 1 . . . . 23 I HG2# . 16168 1 208 . 1 1 23 23 ILE CA C 13 65.219 0.064 . 1 . . . . 23 I CA . 16168 1 209 . 1 1 23 23 ILE CB C 13 39.538 0.101 . 1 . . . . 23 I CB . 16168 1 210 . 1 1 23 23 ILE N N 15 117.9 0.029 . 1 . . . . 23 I N . 16168 1 211 . 1 1 24 24 ALA H H 1 8.248 0.011 . 1 . . . . 24 A HN . 16168 1 212 . 1 1 24 24 ALA HB1 H 1 1.506 0.004 . 1 . . . . 24 A HB# . 16168 1 213 . 1 1 24 24 ALA HB2 H 1 1.506 0.004 . 1 . . . . 24 A HB# . 16168 1 214 . 1 1 24 24 ALA HB3 H 1 1.506 0.004 . 1 . . . . 24 A HB# . 16168 1 215 . 1 1 24 24 ALA CA C 13 55.723 0.094 . 1 . . . . 24 A CA . 16168 1 216 . 1 1 24 24 ALA CB C 13 18.223 0.080 . 1 . . . . 24 A CB . 16168 1 217 . 1 1 24 24 ALA N N 15 120.166 0.164 . 1 . . . . 24 A N . 16168 1 218 . 1 1 25 25 GLY H H 1 8.482 0.023 . 1 . . . . 25 G HN . 16168 1 219 . 1 1 25 25 GLY HA2 H 1 3.781 0.006 . 1 . . . . 25 G HA1 . 16168 1 220 . 1 1 25 25 GLY HA3 H 1 3.692 0.01 . 1 . . . . 25 G HA2 . 16168 1 221 . 1 1 25 25 GLY CA C 13 47.86 0.104 . 1 . . . . 25 G CA . 16168 1 222 . 1 1 25 25 GLY N N 15 103.943 0.067 . 1 . . . . 25 G N . 16168 1 223 . 1 1 26 26 ILE H H 1 8.401 0.017 . 1 . . . . 26 I HN . 16168 1 224 . 1 1 26 26 ILE HA H 1 3.715 0.016 . 1 . . . . 26 I HA . 16168 1 225 . 1 1 26 26 ILE HB H 1 2.058 0.005 . 1 . . . . 26 I HB . 16168 1 226 . 1 1 26 26 ILE HG21 H 1 0.899 0.011 . 1 . . . . 26 I HG2# . 16168 1 227 . 1 1 26 26 ILE HG22 H 1 0.899 0.011 . 1 . . . . 26 I HG2# . 16168 1 228 . 1 1 26 26 ILE HG23 H 1 0.899 0.011 . 1 . . . . 26 I HG2# . 16168 1 229 . 1 1 26 26 ILE CA C 13 65.719 0.114 . 1 . . . . 26 I CA . 16168 1 230 . 1 1 26 26 ILE CB C 13 38.043 0.091 . 1 . . . . 26 I CB . 16168 1 231 . 1 1 26 26 ILE N N 15 120.944 0.083 . 1 . . . . 26 I N . 16168 1 232 . 1 1 27 27 LEU H H 1 8.303 0.012 . 1 . . . . 27 L HN . 16168 1 233 . 1 1 27 27 LEU HA H 1 4.011 0.003 . 1 . . . . 27 L HA . 16168 1 234 . 1 1 27 27 LEU HB2 H 1 2.015 0.005 . 2 . . . . 27 L HB# . 16168 1 235 . 1 1 27 27 LEU HB3 H 1 2.015 0.005 . 2 . . . . 27 L HB# . 16168 1 236 . 1 1 27 27 LEU HD11 H 1 0.863 0.009 . 2 . . . . 27 L HD1 . 16168 1 237 . 1 1 27 27 LEU HD12 H 1 0.863 0.009 . 2 . . . . 27 L HD1 . 16168 1 238 . 1 1 27 27 LEU HD13 H 1 0.863 0.009 . 2 . . . . 27 L HD1 . 16168 1 239 . 1 1 27 27 LEU HD21 H 1 0.863 0.009 . 2 . . . . 27 L HD2 . 16168 1 240 . 1 1 27 27 LEU HD22 H 1 0.863 0.009 . 2 . . . . 27 L HD2 . 16168 1 241 . 1 1 27 27 LEU HD23 H 1 0.863 0.009 . 2 . . . . 27 L HD2 . 16168 1 242 . 1 1 27 27 LEU HG H 1 1.463 0.005 . 1 . . . . 27 L HG . 16168 1 243 . 1 1 27 27 LEU CA C 13 58.586 0.124 . 1 . . . . 27 L CA . 16168 1 244 . 1 1 27 27 LEU CB C 13 41.728 0.180 . 1 . . . . 27 L CB . 16168 1 245 . 1 1 27 27 LEU N N 15 118.806 0.115 . 1 . . . . 27 L N . 16168 1 246 . 1 1 28 28 PHE H H 1 8.568 0.01 . 1 . . . . 28 F HN . 16168 1 247 . 1 1 28 28 PHE HA H 1 4.238 0.002 . 1 . . . . 28 F HA . 16168 1 248 . 1 1 28 28 PHE HB2 H 1 3.293 0.004 . 2 . . . . 28 F HB# . 16168 1 249 . 1 1 28 28 PHE HB3 H 1 3.293 0.004 . 2 . . . . 28 F HB# . 16168 1 250 . 1 1 28 28 PHE HD1 H 1 7.122 0.002 . 3 . . . . 28 F HD# . 16168 1 251 . 1 1 28 28 PHE HD2 H 1 7.122 0.002 . 3 . . . . 28 F HD# . 16168 1 252 . 1 1 28 28 PHE CA C 13 61.596 0.089 . 1 . . . . 28 F CA . 16168 1 253 . 1 1 28 28 PHE CB C 13 39.69 0.102 . 1 . . . . 28 F CB . 16168 1 254 . 1 1 28 28 PHE N N 15 118.499 0.021 . 1 . . . . 28 F N . 16168 1 255 . 1 1 29 29 ILE H H 1 8.247 0.006 . 1 . . . . 29 I HN . 16168 1 256 . 1 1 29 29 ILE HA H 1 3.607 0.01 . 1 . . . . 29 I HA . 16168 1 257 . 1 1 29 29 ILE HB H 1 2.117 0.006 . 1 . . . . 29 I HB . 16168 1 258 . 1 1 29 29 ILE HG12 H 1 1.293 0.007 . 2 . . . . 29 I HG1# . 16168 1 259 . 1 1 29 29 ILE HG13 H 1 1.293 0.007 . 2 . . . . 29 I HG1# . 16168 1 260 . 1 1 29 29 ILE HG21 H 1 0.892 0.008 . 1 . . . . 29 I HG2# . 16168 1 261 . 1 1 29 29 ILE HG22 H 1 0.892 0.008 . 1 . . . . 29 I HG2# . 16168 1 262 . 1 1 29 29 ILE HG23 H 1 0.892 0.008 . 1 . . . . 29 I HG2# . 16168 1 263 . 1 1 29 29 ILE CA C 13 65.048 0.128 . 1 . . . . 29 I CA . 16168 1 264 . 1 1 29 29 ILE CB C 13 37.293 0.154 . 1 . . . . 29 I CB . 16168 1 265 . 1 1 29 29 ILE N N 15 117.892 0.035 . 1 . . . . 29 I N . 16168 1 266 . 1 1 30 30 LEU H H 1 8.624 0.013 . 1 . . . . 30 L HN . 16168 1 267 . 1 1 30 30 LEU HA H 1 4.012 0.006 . 1 . . . . 30 L HA . 16168 1 268 . 1 1 30 30 LEU HB2 H 1 1.934 0.003 . 2 . . . . 30 L HB# . 16168 1 269 . 1 1 30 30 LEU HB3 H 1 1.934 0.003 . 2 . . . . 30 L HB# . 16168 1 270 . 1 1 30 30 LEU HD11 H 1 0.863 0.009 . 2 . . . . 30 L HD1 . 16168 1 271 . 1 1 30 30 LEU HD12 H 1 0.863 0.009 . 2 . . . . 30 L HD1 . 16168 1 272 . 1 1 30 30 LEU HD13 H 1 0.863 0.009 . 2 . . . . 30 L HD1 . 16168 1 273 . 1 1 30 30 LEU HD21 H 1 0.863 0.009 . 2 . . . . 30 L HD2 . 16168 1 274 . 1 1 30 30 LEU HD22 H 1 0.863 0.009 . 2 . . . . 30 L HD2 . 16168 1 275 . 1 1 30 30 LEU HD23 H 1 0.863 0.009 . 2 . . . . 30 L HD2 . 16168 1 276 . 1 1 30 30 LEU HG H 1 1.555 0.015 . 1 . . . . 30 L HG . 16168 1 277 . 1 1 30 30 LEU CA C 13 58.624 0.145 . 1 . . . . 30 L CA . 16168 1 278 . 1 1 30 30 LEU CB C 13 42.011 0.102 . 1 . . . . 30 L CB . 16168 1 279 . 1 1 30 30 LEU N N 15 119.146 0.091 . 1 . . . . 30 L N . 16168 1 280 . 1 1 31 31 GLY H H 1 8.754 0.021 . 1 . . . . 31 G HN . 16168 1 281 . 1 1 31 31 GLY HA2 H 1 3.643 0.008 . 2 . . . . 31 G HA# . 16168 1 282 . 1 1 31 31 GLY HA3 H 1 3.643 0.008 . 2 . . . . 31 G HA# . 16168 1 283 . 1 1 31 31 GLY CA C 13 48.068 0.154 . 1 . . . . 31 G CA . 16168 1 284 . 1 1 31 31 GLY N N 15 106 0.055 . 1 . . . . 31 G N . 16168 1 285 . 1 1 32 32 ILE H H 1 8.303 0.013 . 1 . . . . 32 I HN . 16168 1 286 . 1 1 32 32 ILE HA H 1 3.622 0.01 . 1 . . . . 32 I HA . 16168 1 287 . 1 1 32 32 ILE HB H 1 2.035 0.003 . 1 . . . . 32 I HB . 16168 1 288 . 1 1 32 32 ILE HD11 H 1 0.566 0.006 . 1 . . . . 32 I HD1# . 16168 1 289 . 1 1 32 32 ILE HD12 H 1 0.566 0.006 . 1 . . . . 32 I HD1# . 16168 1 290 . 1 1 32 32 ILE HD13 H 1 0.566 0.006 . 1 . . . . 32 I HD1# . 16168 1 291 . 1 1 32 32 ILE HG12 H 1 1.503 0.008 . 2 . . . . 32 I HG1# . 16168 1 292 . 1 1 32 32 ILE HG13 H 1 1.503 0.008 . 2 . . . . 32 I HG1# . 16168 1 293 . 1 1 32 32 ILE HG21 H 1 0.831 0.002 . 1 . . . . 32 I HG2# . 16168 1 294 . 1 1 32 32 ILE HG22 H 1 0.831 0.002 . 1 . . . . 32 I HG2# . 16168 1 295 . 1 1 32 32 ILE HG23 H 1 0.831 0.002 . 1 . . . . 32 I HG2# . 16168 1 296 . 1 1 32 32 ILE CA C 13 65.126 0.135 . 1 . . . . 32 I CA . 16168 1 297 . 1 1 32 32 ILE CB C 13 39.126 0.090 . 1 . . . . 32 I CB . 16168 1 298 . 1 1 32 32 ILE N N 15 120.84 0.062 . 1 . . . . 32 I N . 16168 1 299 . 1 1 33 33 LEU H H 1 8.388 0.014 . 1 . . . . 33 L HN . 16168 1 300 . 1 1 33 33 LEU HA H 1 4.042 0.008 . 1 . . . . 33 L HA . 16168 1 301 . 1 1 33 33 LEU HB2 H 1 2.057 0.047 . 2 . . . . 33 L HB# . 16168 1 302 . 1 1 33 33 LEU HB3 H 1 2.057 0.047 . 2 . . . . 33 L HB# . 16168 1 303 . 1 1 33 33 LEU HD11 H 1 0.876 0.004 . 2 . . . . 33 L HD1 . 16168 1 304 . 1 1 33 33 LEU HD12 H 1 0.876 0.004 . 2 . . . . 33 L HD1 . 16168 1 305 . 1 1 33 33 LEU HD13 H 1 0.876 0.004 . 2 . . . . 33 L HD1 . 16168 1 306 . 1 1 33 33 LEU HD21 H 1 0.876 0.004 . 2 . . . . 33 L HD2 . 16168 1 307 . 1 1 33 33 LEU HD22 H 1 0.876 0.004 . 2 . . . . 33 L HD2 . 16168 1 308 . 1 1 33 33 LEU HD23 H 1 0.876 0.004 . 2 . . . . 33 L HD2 . 16168 1 309 . 1 1 33 33 LEU HG H 1 1.475 0.009 . 1 . . . . 33 L HG . 16168 1 310 . 1 1 33 33 LEU CA C 13 58.672 0.201 . 1 . . . . 33 L CA . 16168 1 311 . 1 1 33 33 LEU CB C 13 40.359 0.109 . 1 . . . . 33 L CB . 16168 1 312 . 1 1 33 33 LEU N N 15 119.523 0.106 . 1 . . . . 33 L N . 16168 1 313 . 1 1 34 34 ILE H H 1 8.703 0.015 . 1 . . . . 34 I HN . 16168 1 314 . 1 1 34 34 ILE HA H 1 3.685 0.004 . 1 . . . . 34 I HA . 16168 1 315 . 1 1 34 34 ILE HB H 1 2.153 0.007 . 1 . . . . 34 I HB . 16168 1 316 . 1 1 34 34 ILE HG21 H 1 0.932 0.009 . 1 . . . . 34 I HG2# . 16168 1 317 . 1 1 34 34 ILE HG22 H 1 0.932 0.009 . 1 . . . . 34 I HG2# . 16168 1 318 . 1 1 34 34 ILE HG23 H 1 0.932 0.009 . 1 . . . . 34 I HG2# . 16168 1 319 . 1 1 34 34 ILE CA C 13 66.12 0.174 . 1 . . . . 34 I CA . 16168 1 320 . 1 1 34 34 ILE CB C 13 37.627 0.128 . 1 . . . . 34 I CB . 16168 1 321 . 1 1 34 34 ILE N N 15 120.906 0.123 . 1 . . . . 34 I N . 16168 1 322 . 1 1 35 35 VAL H H 1 8.359 0.011 . 1 . . . . 35 V HN . 16168 1 323 . 1 1 35 35 VAL HA H 1 3.69 0.018 . 1 . . . . 35 V HA . 16168 1 324 . 1 1 35 35 VAL HB H 1 2.311 0.004 . 1 . . . . 35 V HB . 16168 1 325 . 1 1 35 35 VAL HG11 H 1 1.181 0.002 . 1 . . . . 35 V HG1# . 16168 1 326 . 1 1 35 35 VAL HG12 H 1 1.181 0.002 . 1 . . . . 35 V HG1# . 16168 1 327 . 1 1 35 35 VAL HG13 H 1 1.181 0.002 . 1 . . . . 35 V HG1# . 16168 1 328 . 1 1 35 35 VAL HG21 H 1 1.04 0.002 . 1 . . . . 35 V HG2# . 16168 1 329 . 1 1 35 35 VAL HG22 H 1 1.04 0.002 . 1 . . . . 35 V HG2# . 16168 1 330 . 1 1 35 35 VAL HG23 H 1 1.04 0.002 . 1 . . . . 35 V HG2# . 16168 1 331 . 1 1 35 35 VAL CA C 13 67.546 0.087 . 1 . . . . 35 V CA . 16168 1 332 . 1 1 35 35 VAL CB C 13 31.619 0.124 . 1 . . . . 35 V CB . 16168 1 333 . 1 1 35 35 VAL N N 15 120.794 0.072 . 1 . . . . 35 V N . 16168 1 334 . 1 1 36 36 LEU H H 1 9.002 0.011 . 1 . . . . 36 L HN . 16168 1 335 . 1 1 36 36 LEU HA H 1 4.095 0.014 . 1 . . . . 36 L HA . 16168 1 336 . 1 1 36 36 LEU HB2 H 1 2.011 0.003 . 2 . . . . 36 L HB# . 16168 1 337 . 1 1 36 36 LEU HB3 H 1 2.011 0.003 . 2 . . . . 36 L HB# . 16168 1 338 . 1 1 36 36 LEU HD11 H 1 0.926 0.003 . 2 . . . . 36 L HD1 . 16168 1 339 . 1 1 36 36 LEU HD12 H 1 0.926 0.003 . 2 . . . . 36 L HD1 . 16168 1 340 . 1 1 36 36 LEU HD13 H 1 0.926 0.003 . 2 . . . . 36 L HD1 . 16168 1 341 . 1 1 36 36 LEU HD21 H 1 0.926 0.003 . 2 . . . . 36 L HD2 . 16168 1 342 . 1 1 36 36 LEU HD22 H 1 0.926 0.003 . 2 . . . . 36 L HD2 . 16168 1 343 . 1 1 36 36 LEU HD23 H 1 0.926 0.003 . 2 . . . . 36 L HD2 . 16168 1 344 . 1 1 36 36 LEU HG H 1 1.595 0.01 . 1 . . . . 36 L HG . 16168 1 345 . 1 1 36 36 LEU CA C 13 58.589 0.115 . 1 . . . . 36 L CA . 16168 1 346 . 1 1 36 36 LEU CB C 13 42.017 0.115 . 1 . . . . 36 L CB . 16168 1 347 . 1 1 36 36 LEU N N 15 119.433 0.056 . 1 . . . . 36 L N . 16168 1 348 . 1 1 37 37 SER H H 1 8.585 0.011 . 1 . . . . 37 S HN . 16168 1 349 . 1 1 37 37 SER HA H 1 4.632 0.003 . 1 . . . . 37 S HA . 16168 1 350 . 1 1 37 37 SER HB2 H 1 4.065 0.002 . 2 . . . . 37 S HB# . 16168 1 351 . 1 1 37 37 SER HB3 H 1 4.065 0.002 . 2 . . . . 37 S HB# . 16168 1 352 . 1 1 37 37 SER CA C 13 62.896 0.057 . 1 . . . . 37 S CA . 16168 1 353 . 1 1 37 37 SER CB C 13 63.973 0.071 . 1 . . . . 37 S CB . 16168 1 354 . 1 1 37 37 SER N N 15 115.4 0.036 . 1 . . . . 37 S N . 16168 1 355 . 1 1 38 38 ARG H H 1 8.18 0.01 . 1 . . . . 38 R HN . 16168 1 356 . 1 1 38 38 ARG HA H 1 4.218 0.01 . 1 . . . . 38 R HA . 16168 1 357 . 1 1 38 38 ARG HB2 H 1 2.079 0.006 . 2 . . . . 38 R HB# . 16168 1 358 . 1 1 38 38 ARG HB3 H 1 2.079 0.006 . 2 . . . . 38 R HB# . 16168 1 359 . 1 1 38 38 ARG HD2 H 1 3.242 0.017 . 2 . . . . 38 R HD# . 16168 1 360 . 1 1 38 38 ARG HD3 H 1 3.242 0.017 . 2 . . . . 38 R HD# . 16168 1 361 . 1 1 38 38 ARG HG2 H 1 1.834 0.001 . 2 . . . . 38 R HG# . 16168 1 362 . 1 1 38 38 ARG HG3 H 1 1.834 0.001 . 2 . . . . 38 R HG# . 16168 1 363 . 1 1 38 38 ARG CA C 13 59.259 0.110 . 1 . . . . 38 R CA . 16168 1 364 . 1 1 38 38 ARG CB C 13 30.751 0.067 . 1 . . . . 38 R CB . 16168 1 365 . 1 1 38 38 ARG N N 15 121.516 0.045 . 1 . . . . 38 R N . 16168 1 366 . 1 1 39 39 ARG H H 1 8.362 0.007 . 1 . . . . 39 R HN . 16168 1 367 . 1 1 39 39 ARG HA H 1 4.373 0.003 . 1 . . . . 39 R HA . 16168 1 368 . 1 1 39 39 ARG HB2 H 1 2.09 0.008 . 2 . . . . 39 R HB# . 16168 1 369 . 1 1 39 39 ARG HB3 H 1 2.09 0.008 . 2 . . . . 39 R HB# . 16168 1 370 . 1 1 39 39 ARG HD2 H 1 3.247 0.007 . 2 . . . . 39 R HD# . 16168 1 371 . 1 1 39 39 ARG HD3 H 1 3.247 0.007 . 2 . . . . 39 R HD# . 16168 1 372 . 1 1 39 39 ARG HG2 H 1 1.877 0.012 . 2 . . . . 39 R HG# . 16168 1 373 . 1 1 39 39 ARG HG3 H 1 1.877 0.012 . 2 . . . . 39 R HG# . 16168 1 374 . 1 1 39 39 ARG CA C 13 58.095 0.141 . 1 . . . . 39 R CA . 16168 1 375 . 1 1 39 39 ARG CB C 13 30.581 0.210 . 1 . . . . 39 R CB . 16168 1 376 . 1 1 39 39 ARG N N 15 117.803 0.073 . 1 . . . . 39 R N . 16168 1 377 . 1 1 40 40 CYS H H 1 8.423 0.006 . 1 . . . . 40 C HN . 16168 1 378 . 1 1 40 40 CYS HA H 1 4.447 0.002 . 1 . . . . 40 C HA . 16168 1 379 . 1 1 40 40 CYS HB2 H 1 3.083 0.005 . 2 . . . . 40 C HB# . 16168 1 380 . 1 1 40 40 CYS HB3 H 1 3.083 0.005 . 2 . . . . 40 C HB# . 16168 1 381 . 1 1 40 40 CYS CA C 13 61.514 0.102 . 1 . . . . 40 C CA . 16168 1 382 . 1 1 40 40 CYS CB C 13 28.091 0.091 . 1 . . . . 40 C CB . 16168 1 383 . 1 1 40 40 CYS N N 15 116.351 0.069 . 1 . . . . 40 C N . 16168 1 384 . 1 1 41 41 ARG H H 1 8.095 0.004 . 1 . . . . 41 R HN . 16168 1 385 . 1 1 41 41 ARG HA H 1 4.204 0.011 . 1 . . . . 41 R HA . 16168 1 386 . 1 1 41 41 ARG HB2 H 1 2.078 0.002 . 2 . . . . 41 R HB# . 16168 1 387 . 1 1 41 41 ARG HB3 H 1 2.078 0.002 . 2 . . . . 41 R HB# . 16168 1 388 . 1 1 41 41 ARG HD2 H 1 3.325 0.001 . 2 . . . . 41 R HD# . 16168 1 389 . 1 1 41 41 ARG HD3 H 1 3.325 0.001 . 2 . . . . 41 R HD# . 16168 1 390 . 1 1 41 41 ARG HG2 H 1 1.856 0.002 . 2 . . . . 41 R HG# . 16168 1 391 . 1 1 41 41 ARG HG3 H 1 1.856 0.002 . 2 . . . . 41 R HG# . 16168 1 392 . 1 1 41 41 ARG CA C 13 58.876 0.102 . 1 . . . . 41 R CA . 16168 1 393 . 1 1 41 41 ARG CB C 13 30.227 0.110 . 1 . . . . 41 R CB . 16168 1 394 . 1 1 41 41 ARG N N 15 119.841 0.022 . 1 . . . . 41 R N . 16168 1 395 . 1 1 42 42 CYS H H 1 8.061 0.012 . 1 . . . . 42 C HN . 16168 1 396 . 1 1 42 42 CYS HA H 1 4.435 0.003 . 1 . . . . 42 C HA . 16168 1 397 . 1 1 42 42 CYS HB2 H 1 3.067 0.005 . 2 . . . . 42 C HB# . 16168 1 398 . 1 1 42 42 CYS HB3 H 1 3.067 0.005 . 2 . . . . 42 C HB# . 16168 1 399 . 1 1 42 42 CYS CA C 13 60.508 0.105 . 1 . . . . 42 C CA . 16168 1 400 . 1 1 42 42 CYS CB C 13 27.409 0.097 . 1 . . . . 42 C CB . 16168 1 401 . 1 1 42 42 CYS N N 15 116.22 0.073 . 1 . . . . 42 C N . 16168 1 402 . 1 1 43 43 LYS H H 1 7.936 0.011 . 1 . . . . 43 K HN . 16168 1 403 . 1 1 43 43 LYS HA H 1 4.244 0.006 . 1 . . . . 43 K HA . 16168 1 404 . 1 1 43 43 LYS HB2 H 1 1.792 0.003 . 2 . . . . 43 K HB# . 16168 1 405 . 1 1 43 43 LYS HB3 H 1 1.792 0.003 . 2 . . . . 43 K HB# . 16168 1 406 . 1 1 43 43 LYS HG2 H 1 1.387 0.013 . 2 . . . . 43 K HG# . 16168 1 407 . 1 1 43 43 LYS HG3 H 1 1.387 0.013 . 2 . . . . 43 K HG# . 16168 1 408 . 1 1 43 43 LYS CA C 13 57.48 0.111 . 1 . . . . 43 K CA . 16168 1 409 . 1 1 43 43 LYS CB C 13 32.888 0.148 . 1 . . . . 43 K CB . 16168 1 410 . 1 1 43 43 LYS N N 15 120.337 0.047 . 1 . . . . 43 K N . 16168 1 411 . 1 1 44 44 PHE H H 1 7.966 0.01 . 1 . . . . 44 F HN . 16168 1 412 . 1 1 44 44 PHE HA H 1 4.664 0.005 . 1 . . . . 44 F HA . 16168 1 413 . 1 1 44 44 PHE HB2 H 1 3.346 0.005 . 1 . . . . 44 F HB1 . 16168 1 414 . 1 1 44 44 PHE HB3 H 1 3.113 0.005 . 1 . . . . 44 F HB2 . 16168 1 415 . 1 1 44 44 PHE HD1 H 1 7.369 0.003 . 3 . . . . 44 F HD# . 16168 1 416 . 1 1 44 44 PHE HD2 H 1 7.369 0.003 . 3 . . . . 44 F HD# . 16168 1 417 . 1 1 44 44 PHE CA C 13 58.606 0.210 . 1 . . . . 44 F CA . 16168 1 418 . 1 1 44 44 PHE CB C 13 39.452 0.1 . 1 . . . . 44 F CB . 16168 1 419 . 1 1 44 44 PHE N N 15 118.202 0.03 . 1 . . . . 44 F N . 16168 1 420 . 1 1 45 45 ASN H H 1 8.147 0.014 . 1 . . . . 45 N HN . 16168 1 421 . 1 1 45 45 ASN HA H 1 4.771 0.006 . 1 . . . . 45 N HA . 16168 1 422 . 1 1 45 45 ASN HB2 H 1 2.923 0.008 . 2 . . . . 45 N HB# . 16168 1 423 . 1 1 45 45 ASN HB3 H 1 2.923 0.008 . 2 . . . . 45 N HB# . 16168 1 424 . 1 1 45 45 ASN HD21 H 1 7.548 0.009 . 1 . . . . 45 N HD21 . 16168 1 425 . 1 1 45 45 ASN HD22 H 1 6.871 0.006 . 1 . . . . 45 N HD22 . 16168 1 426 . 1 1 45 45 ASN CA C 13 53.951 0.110 . 1 . . . . 45 N CA . 16168 1 427 . 1 1 45 45 ASN CB C 13 39.301 0.152 . 1 . . . . 45 N CB . 16168 1 428 . 1 1 45 45 ASN N N 15 118.296 0.039 . 1 . . . . 45 N N . 16168 1 429 . 1 1 45 45 ASN ND2 N 15 111.821 0.029 . 1 . . . . 45 N ND2 . 16168 1 430 . 1 1 46 46 GLN H H 1 8.209 0.009 . 1 . . . . 46 Q HN . 16168 1 431 . 1 1 46 46 GLN HA H 1 4.344 0.004 . 1 . . . . 46 Q HA . 16168 1 432 . 1 1 46 46 GLN HB2 H 1 2.254 0.005 . 1 . . . . 46 Q HB1 . 16168 1 433 . 1 1 46 46 GLN HB3 H 1 2.128 0.003 . 1 . . . . 46 Q HB2 . 16168 1 434 . 1 1 46 46 GLN HG2 H 1 2.472 0.004 . 2 . . . . 46 Q HG# . 16168 1 435 . 1 1 46 46 GLN HG3 H 1 2.472 0.004 . 2 . . . . 46 Q HG# . 16168 1 436 . 1 1 46 46 GLN CA C 13 56.832 0.124 . 1 . . . . 46 Q CA . 16168 1 437 . 1 1 46 46 GLN CB C 13 29.314 0.087 . 1 . . . . 46 Q CB . 16168 1 438 . 1 1 46 46 GLN N N 15 119.469 0.092 . 1 . . . . 46 Q N . 16168 1 439 . 1 1 47 47 GLN H H 1 8.221 0.011 . 1 . . . . 47 Q HN . 16168 1 440 . 1 1 47 47 GLN CA C 13 56.832 0.115 . 1 . . . . 47 Q CA . 16168 1 441 . 1 1 47 47 GLN CB C 13 29.314 0.184 . 1 . . . . 47 Q CB . 16168 1 442 . 1 1 47 47 GLN N N 15 119.452 0.142 . 1 . . . . 47 Q N . 16168 1 443 . 1 1 48 48 GLN H H 1 8.058 0.01 . 1 . . . . 48 Q HN . 16168 1 444 . 1 1 48 48 GLN HA H 1 4.394 0.004 . 1 . . . . 48 Q HA . 16168 1 445 . 1 1 48 48 GLN HB2 H 1 2.18 0.01 . 1 . . . . 48 Q HB1 . 16168 1 446 . 1 1 48 48 GLN HB3 H 1 2.078 0.01 . 1 . . . . 48 Q HB2 . 16168 1 447 . 1 1 48 48 GLN HG2 H 1 2.431 0.0 . 2 . . . . 48 Q HG# . 16168 1 448 . 1 1 48 48 GLN HG3 H 1 2.431 0.0 . 2 . . . . 48 Q HG# . 16168 1 449 . 1 1 48 48 GLN CA C 13 56.6 0.113 . 1 . . . . 48 Q CA . 16168 1 450 . 1 1 48 48 GLN CB C 13 29.578 0.078 . 1 . . . . 48 Q CB . 16168 1 451 . 1 1 48 48 GLN N N 15 119.642 0.066 . 1 . . . . 48 Q N . 16168 1 452 . 1 1 49 49 ARG H H 1 8.255 0.007 . 1 . . . . 49 R HN . 16168 1 453 . 1 1 49 49 ARG HA H 1 4.475 0.004 . 1 . . . . 49 R HA . 16168 1 454 . 1 1 49 49 ARG HB2 H 1 1.974 0.001 . 1 . . . . 49 R HB1 . 16168 1 455 . 1 1 49 49 ARG HB3 H 1 1.905 0.009 . 1 . . . . 49 R HB2 . 16168 1 456 . 1 1 49 49 ARG HD2 H 1 3.285 0.011 . 2 . . . . 49 R HD# . 16168 1 457 . 1 1 49 49 ARG HD3 H 1 3.285 0.011 . 2 . . . . 49 R HD# . 16168 1 458 . 1 1 49 49 ARG HG2 H 1 1.732 0.003 . 2 . . . . 49 R HG# . 16168 1 459 . 1 1 49 49 ARG HG3 H 1 1.732 0.003 . 2 . . . . 49 R HG# . 16168 1 460 . 1 1 49 49 ARG CA C 13 56.569 0.215 . 1 . . . . 49 R CA . 16168 1 461 . 1 1 49 49 ARG CB C 13 30.919 0.097 . 1 . . . . 49 R CB . 16168 1 462 . 1 1 49 49 ARG N N 15 121.599 0.024 . 1 . . . . 49 R N . 16168 1 463 . 1 1 50 50 THR H H 1 8.113 0.016 . 1 . . . . 50 T HN . 16168 1 464 . 1 1 50 50 THR HA H 1 4.438 0.097 . 1 . . . . 50 T HA . 16168 1 465 . 1 1 50 50 THR HB H 1 4.355 0.006 . 1 . . . . 50 T HB . 16168 1 466 . 1 1 50 50 THR HG21 H 1 1.287 0.003 . 1 . . . . 50 T HG2# . 16168 1 467 . 1 1 50 50 THR HG22 H 1 1.287 0.003 . 1 . . . . 50 T HG2# . 16168 1 468 . 1 1 50 50 THR HG23 H 1 1.287 0.003 . 1 . . . . 50 T HG2# . 16168 1 469 . 1 1 50 50 THR CA C 13 62.13 0.115 . 1 . . . . 50 T CA . 16168 1 470 . 1 1 50 50 THR CB C 13 70.38 0.097 . 1 . . . . 50 T CB . 16168 1 471 . 1 1 50 50 THR N N 15 113.66 0.033 . 1 . . . . 50 T N . 16168 1 472 . 1 1 51 51 GLY H H 1 8.296 0.021 . 1 . . . . 51 G HN . 16168 1 473 . 1 1 51 51 GLY HA2 H 1 4.06 0.002 . 2 . . . . 51 G HA# . 16168 1 474 . 1 1 51 51 GLY HA3 H 1 4.06 0.002 . 2 . . . . 51 G HA# . 16168 1 475 . 1 1 51 51 GLY CA C 13 45.374 0.148 . 1 . . . . 51 G CA . 16168 1 476 . 1 1 51 51 GLY N N 15 110.876 0.044 . 1 . . . . 51 G N . 16168 1 477 . 1 1 52 52 GLU H H 1 8.153 0.007 . 1 . . . . 52 E HN . 16168 1 478 . 1 1 52 52 GLU HA H 1 4.729 0.004 . 1 . . . . 52 E HA . 16168 1 479 . 1 1 52 52 GLU HB2 H 1 1.973 0.001 . 2 . . . . 52 E HB# . 16168 1 480 . 1 1 52 52 GLU HB3 H 1 1.973 0.001 . 2 . . . . 52 E HB# . 16168 1 481 . 1 1 52 52 GLU HG2 H 1 2.463 0.002 . 1 . . . . 52 E HG1 . 16168 1 482 . 1 1 52 52 GLU HG3 H 1 2.185 0.003 . 1 . . . . 52 E HG2 . 16168 1 483 . 1 1 52 52 GLU CA C 13 54.072 0.098 . 1 . . . . 52 E CA . 16168 1 484 . 1 1 52 52 GLU CB C 13 29.347 0.128 . 1 . . . . 52 E CB . 16168 1 485 . 1 1 52 52 GLU N N 15 120.834 0.054 . 1 . . . . 52 E N . 16168 1 486 . 1 1 53 53 PRO HA H 1 4.495 0.005 . 1 . . . . 53 P HA . 16168 1 487 . 1 1 53 53 PRO HB2 H 1 2.353 0.005 . 2 . . . . 53 P HB# . 16168 1 488 . 1 1 53 53 PRO HB3 H 1 2.353 0.005 . 2 . . . . 53 P HB# . 16168 1 489 . 1 1 53 53 PRO HD2 H 1 3.814 0.001 . 2 . . . . 53 P HD# . 16168 1 490 . 1 1 53 53 PRO HD3 H 1 3.814 0.001 . 2 . . . . 53 P HD# . 16168 1 491 . 1 1 53 53 PRO HG2 H 1 2.037 0.007 . 2 . . . . 53 P HG# . 16168 1 492 . 1 1 53 53 PRO HG3 H 1 2.037 0.007 . 2 . . . . 53 P HG# . 16168 1 493 . 1 1 53 53 PRO CA C 13 63.749 0.110 . 1 . . . . 53 P CA . 16168 1 494 . 1 1 53 53 PRO CB C 13 32.309 0.1 . 1 . . . . 53 P CB . 16168 1 495 . 1 1 54 54 ASP H H 1 8.402 0.009 . 1 . . . . 54 D HN . 16168 1 496 . 1 1 54 54 ASP HA H 1 4.677 0.002 . 1 . . . . 54 D HA . 16168 1 497 . 1 1 54 54 ASP HB2 H 1 2.826 0.005 . 2 . . . . 54 D HB# . 16168 1 498 . 1 1 54 54 ASP HB3 H 1 2.826 0.005 . 2 . . . . 54 D HB# . 16168 1 499 . 1 1 54 54 ASP CA C 13 54.21 0.105 . 1 . . . . 54 D CA . 16168 1 500 . 1 1 54 54 ASP CB C 13 40.375 0.187 . 1 . . . . 54 D CB . 16168 1 501 . 1 1 54 54 ASP N N 15 119.287 0.112 . 1 . . . . 54 D N . 16168 1 502 . 1 1 55 55 GLU H H 1 8.249 0.03 . 1 . . . . 55 E HN . 16168 1 503 . 1 1 55 55 GLU HA H 1 4.65 0.001 . 1 . . . . 55 E HA . 16168 1 504 . 1 1 55 55 GLU HB2 H 1 2.182 0.002 . 1 . . . . 55 E HB1 . 16168 1 505 . 1 1 55 55 GLU HB3 H 1 2.059 0.002 . 1 . . . . 55 E HB2 . 16168 1 506 . 1 1 55 55 GLU HG2 H 1 2.443 0.005 . 1 . . . . 55 E HG# . 16168 1 507 . 1 1 55 55 GLU HG3 H 1 2.443 0.005 . 1 . . . . 55 E HG# . 16168 1 508 . 1 1 55 55 GLU CA C 13 56.397 0.098 . 1 . . . . 55 E CA . 16168 1 509 . 1 1 55 55 GLU CB C 13 29.461 0.174 . 1 . . . . 55 E CB . 16168 1 510 . 1 1 55 55 GLU N N 15 120.671 0.175 . 1 . . . . 55 E N . 16168 1 511 . 1 1 56 56 GLU H H 1 8.257 0.01 . 1 . . . . 56 E HN . 16168 1 512 . 1 1 56 56 GLU HA H 1 4.396 0.033 . 1 . . . . 56 E HA . 16168 1 513 . 1 1 56 56 GLU HB2 H 1 2.182 0.009 . 1 . . . . 56 E HB1 . 16168 1 514 . 1 1 56 56 GLU HB3 H 1 2.064 0.008 . 1 . . . . 56 E HB2 . 16168 1 515 . 1 1 56 56 GLU HG2 H 1 2.439 0.008 . 2 . . . . 56 E HG# . 16168 1 516 . 1 1 56 56 GLU HG3 H 1 2.439 0.008 . 2 . . . . 56 E HG# . 16168 1 517 . 1 1 56 56 GLU CA C 13 56.414 0.141 . 1 . . . . 56 E CA . 16168 1 518 . 1 1 56 56 GLU CB C 13 29.461 0.128 . 1 . . . . 56 E CB . 16168 1 519 . 1 1 56 56 GLU N N 15 119.852 0.082 . 1 . . . . 56 E N . 16168 1 520 . 1 1 57 57 GLU H H 1 8.311 0.011 . 1 . . . . 57 E HN . 16168 1 521 . 1 1 57 57 GLU HA H 1 4.453 0.017 . 1 . . . . 57 E HA . 16168 1 522 . 1 1 57 57 GLU HB2 H 1 2.18 0.009 . 1 . . . . 57 E HB1 . 16168 1 523 . 1 1 57 57 GLU HB3 H 1 2.069 0.009 . 1 . . . . 57 E HB2 . 16168 1 524 . 1 1 57 57 GLU HG2 H 1 2.477 0.004 . 2 . . . . 57 E HG# . 16168 1 525 . 1 1 57 57 GLU HG3 H 1 2.477 0.004 . 2 . . . . 57 E HG# . 16168 1 526 . 1 1 57 57 GLU CA C 13 56.35 0.114 . 1 . . . . 57 E CA . 16168 1 527 . 1 1 57 57 GLU CB C 13 29.959 0.204 . 1 . . . . 57 E CB . 16168 1 528 . 1 1 57 57 GLU N N 15 121.046 0.07 . 1 . . . . 57 E N . 16168 1 529 . 1 1 58 58 GLY H H 1 8.407 0.016 . 1 . . . . 58 G HN . 16168 1 530 . 1 1 58 58 GLY HA2 H 1 4.19 0.002 . 2 . . . . 58 G HA# . 16168 1 531 . 1 1 58 58 GLY HA3 H 1 4.19 0.002 . 2 . . . . 58 G HA# . 16168 1 532 . 1 1 58 58 GLY CA C 13 45.841 0.161 . 1 . . . . 58 G CA . 16168 1 533 . 1 1 58 58 GLY N N 15 109.873 0.087 . 1 . . . . 58 G N . 16168 1 534 . 1 1 59 59 THR H H 1 8.141 0.012 . 1 . . . . 59 T HN . 16168 1 535 . 1 1 59 59 THR HA H 1 4.348 0.002 . 1 . . . . 59 T HA . 16168 1 536 . 1 1 59 59 THR HB H 1 4.355 0.003 . 1 . . . . 59 T HB . 16168 1 537 . 1 1 59 59 THR HG21 H 1 1.243 0.003 . 1 . . . . 59 T HG2# . 16168 1 538 . 1 1 59 59 THR HG22 H 1 1.243 0.003 . 1 . . . . 59 T HG2# . 16168 1 539 . 1 1 59 59 THR HG23 H 1 1.243 0.003 . 1 . . . . 59 T HG2# . 16168 1 540 . 1 1 59 59 THR CA C 13 63.622 0.121 . 1 . . . . 59 T CA . 16168 1 541 . 1 1 59 59 THR CB C 13 70.393 0.162 . 1 . . . . 59 T CB . 16168 1 542 . 1 1 59 59 THR N N 15 114.486 0.044 . 1 . . . . 59 T N . 16168 1 543 . 1 1 60 60 PHE H H 1 8.651 0.007 . 1 . . . . 60 F HN . 16168 1 544 . 1 1 60 60 PHE HA H 1 4.439 0.022 . 1 . . . . 60 F HA . 16168 1 545 . 1 1 60 60 PHE HB2 H 1 3.301 0.003 . 2 . . . . 60 F HB# . 16168 1 546 . 1 1 60 60 PHE HB3 H 1 3.301 0.003 . 2 . . . . 60 F HB# . 16168 1 547 . 1 1 60 60 PHE HD1 H 1 7.307 0.011 . 3 . . . . 60 F HD# . 16168 1 548 . 1 1 60 60 PHE HD2 H 1 7.307 0.011 . 3 . . . . 60 F HD# . 16168 1 549 . 1 1 60 60 PHE CA C 13 61.359 0.094 . 1 . . . . 60 F CA . 16168 1 550 . 1 1 60 60 PHE CB C 13 38.96 0.151 . 1 . . . . 60 F CB . 16168 1 551 . 1 1 60 60 PHE N N 15 123.173 0.042 . 1 . . . . 60 F N . 16168 1 552 . 1 1 61 61 ARG H H 1 8.247 0.008 . 1 . . . . 61 R HN . 16168 1 553 . 1 1 61 61 ARG HA H 1 3.932 0.016 . 1 . . . . 61 R HA . 16168 1 554 . 1 1 61 61 ARG HB2 H 1 1.936 0.004 . 2 . . . . 61 R HB# . 16168 1 555 . 1 1 61 61 ARG HB3 H 1 1.936 0.004 . 2 . . . . 61 R HB# . 16168 1 556 . 1 1 61 61 ARG HD2 H 1 3.303 0.003 . 2 . . . . 61 R HD# . 16168 1 557 . 1 1 61 61 ARG HD3 H 1 3.303 0.003 . 2 . . . . 61 R HD# . 16168 1 558 . 1 1 61 61 ARG HG2 H 1 1.742 0.004 . 2 . . . . 61 R HG# . 16168 1 559 . 1 1 61 61 ARG HG3 H 1 1.742 0.004 . 2 . . . . 61 R HG# . 16168 1 560 . 1 1 61 61 ARG CA C 13 59.472 0.067 . 1 . . . . 61 R CA . 16168 1 561 . 1 1 61 61 ARG CB C 13 30.162 0.115 . 1 . . . . 61 R CB . 16168 1 562 . 1 1 61 61 ARG N N 15 118.197 0.052 . 1 . . . . 61 R N . 16168 1 563 . 1 1 62 62 SER H H 1 8.098 0.008 . 1 . . . . 62 S HN . 16168 1 564 . 1 1 62 62 SER HA H 1 4.313 0.003 . 1 . . . . 62 S HA . 16168 1 565 . 1 1 62 62 SER HB2 H 1 4.025 0.007 . 2 . . . . 62 S HB# . 16168 1 566 . 1 1 62 62 SER HB3 H 1 4.025 0.007 . 2 . . . . 62 S HB# . 16168 1 567 . 1 1 62 62 SER CA C 13 61.112 0.137 . 1 . . . . 62 S CA . 16168 1 568 . 1 1 62 62 SER CB C 13 63.426 0.098 . 1 . . . . 62 S CB . 16168 1 569 . 1 1 62 62 SER N N 15 113.309 0.103 . 1 . . . . 62 S N . 16168 1 570 . 1 1 63 63 SER H H 1 8.05 0.014 . 1 . . . . 63 S HN . 16168 1 571 . 1 1 63 63 SER HA H 1 4.361 0.012 . 1 . . . . 63 S HA . 16168 1 572 . 1 1 63 63 SER HB2 H 1 4.068 0.004 . 1 . . . . 63 S HB1 . 16168 1 573 . 1 1 63 63 SER HB3 H 1 3.919 0.01 . 1 . . . . 63 S HB2 . 16168 1 574 . 1 1 63 63 SER CA C 13 61.816 0.125 . 1 . . . . 63 S CA . 16168 1 575 . 1 1 63 63 SER CB C 13 64.359 0.101 . 1 . . . . 63 S CB . 16168 1 576 . 1 1 63 63 SER N N 15 118.744 0.068 . 1 . . . . 63 S N . 16168 1 577 . 1 1 64 64 ILE H H 1 7.813 0.009 . 1 . . . . 64 I HN . 16168 1 578 . 1 1 64 64 ILE HA H 1 3.936 0.004 . 1 . . . . 64 I HA . 16168 1 579 . 1 1 64 64 ILE HB H 1 1.964 0.007 . 1 . . . . 64 I HB . 16168 1 580 . 1 1 64 64 ILE HD11 H 1 0.852 0.005 . 1 . . . . 64 I HD1# . 16168 1 581 . 1 1 64 64 ILE HD12 H 1 0.852 0.005 . 1 . . . . 64 I HD1# . 16168 1 582 . 1 1 64 64 ILE HD13 H 1 0.852 0.005 . 1 . . . . 64 I HD1# . 16168 1 583 . 1 1 64 64 ILE HG12 H 1 1.501 0.018 . 1 . . . . 64 I HG11 . 16168 1 584 . 1 1 64 64 ILE HG13 H 1 1.216 0.009 . 1 . . . . 64 I HG12 . 16168 1 585 . 1 1 64 64 ILE HG21 H 1 0.935 0.013 . 1 . . . . 64 I HG2# . 16168 1 586 . 1 1 64 64 ILE HG22 H 1 0.935 0.013 . 1 . . . . 64 I HG2# . 16168 1 587 . 1 1 64 64 ILE HG23 H 1 0.935 0.013 . 1 . . . . 64 I HG2# . 16168 1 588 . 1 1 64 64 ILE CA C 13 63.557 0.079 . 1 . . . . 64 I CA . 16168 1 589 . 1 1 64 64 ILE CB C 13 37.482 0.164 . 1 . . . . 64 I CB . 16168 1 590 . 1 1 64 64 ILE N N 15 120.616 0.034 . 1 . . . . 64 I N . 16168 1 591 . 1 1 65 65 ARG H H 1 7.863 0.012 . 1 . . . . 65 R HN . 16168 1 592 . 1 1 65 65 ARG HA H 1 4.207 0.001 . 1 . . . . 65 R HA . 16168 1 593 . 1 1 65 65 ARG HB2 H 1 2.014 0.005 . 2 . . . . 65 R HB# . 16168 1 594 . 1 1 65 65 ARG HB3 H 1 2.014 0.005 . 2 . . . . 65 R HB# . 16168 1 595 . 1 1 65 65 ARG HD2 H 1 3.304 0.009 . 2 . . . . 65 R HD# . 16168 1 596 . 1 1 65 65 ARG HD3 H 1 3.304 0.009 . 2 . . . . 65 R HD# . 16168 1 597 . 1 1 65 65 ARG HE H 1 7.28 0.001 . 1 . . . . 65 R HE . 16168 1 598 . 1 1 65 65 ARG HG2 H 1 1.743 0.009 . 2 . . . . 65 R HG# . 16168 1 599 . 1 1 65 65 ARG HG3 H 1 1.743 0.009 . 2 . . . . 65 R HG# . 16168 1 600 . 1 1 65 65 ARG CA C 13 58.617 0.10 . 1 . . . . 65 R CA . 16168 1 601 . 1 1 65 65 ARG CB C 13 30.088 0.178 . 1 . . . . 65 R CB . 16168 1 602 . 1 1 65 65 ARG N N 15 120.278 0.096 . 1 . . . . 65 R N . 16168 1 603 . 1 1 66 66 ARG H H 1 7.934 0.014 . 1 . . . . 66 R HN . 16168 1 604 . 1 1 66 66 ARG HA H 1 4.251 0.013 . 1 . . . . 66 R HA . 16168 1 605 . 1 1 66 66 ARG HB2 H 1 2.043 0.002 . 2 . . . . 66 R HB# . 16168 1 606 . 1 1 66 66 ARG HB3 H 1 2.043 0.002 . 2 . . . . 66 R HB# . 16168 1 607 . 1 1 66 66 ARG HD2 H 1 3.309 0.007 . 2 . . . . 66 R HD# . 16168 1 608 . 1 1 66 66 ARG HD3 H 1 3.309 0.007 . 2 . . . . 66 R HD# . 16168 1 609 . 1 1 66 66 ARG HG2 H 1 1.833 0.008 . 2 . . . . 66 R HG# . 16168 1 610 . 1 1 66 66 ARG HG3 H 1 1.833 0.008 . 2 . . . . 66 R HG# . 16168 1 611 . 1 1 66 66 ARG CA C 13 58.512 0.068 . 1 . . . . 66 R CA . 16168 1 612 . 1 1 66 66 ARG CB C 13 30.618 0.152 . 1 . . . . 66 R CB . 16168 1 613 . 1 1 66 66 ARG N N 15 119.07 0.049 . 1 . . . . 66 R N . 16168 1 614 . 1 1 67 67 LEU H H 1 8.014 0.006 . 1 . . . . 67 L HN . 16168 1 615 . 1 1 67 67 LEU HA H 1 4.259 0.008 . 1 . . . . 67 L HA . 16168 1 616 . 1 1 67 67 LEU HB2 H 1 1.932 0.002 . 2 . . . . 67 L HB# . 16168 1 617 . 1 1 67 67 LEU HB3 H 1 1.932 0.002 . 2 . . . . 67 L HB# . 16168 1 618 . 1 1 67 67 LEU HD11 H 1 0.995 0.009 . 2 . . . . 67 L HD1 . 16168 1 619 . 1 1 67 67 LEU HD12 H 1 0.995 0.009 . 2 . . . . 67 L HD1 . 16168 1 620 . 1 1 67 67 LEU HD13 H 1 0.995 0.009 . 2 . . . . 67 L HD1 . 16168 1 621 . 1 1 67 67 LEU HD21 H 1 0.995 0.009 . 2 . . . . 67 L HD2 . 16168 1 622 . 1 1 67 67 LEU HD22 H 1 0.995 0.009 . 2 . . . . 67 L HD2 . 16168 1 623 . 1 1 67 67 LEU HD23 H 1 0.995 0.009 . 2 . . . . 67 L HD2 . 16168 1 624 . 1 1 67 67 LEU HG H 1 1.73 0.002 . 1 . . . . 67 L HG . 16168 1 625 . 1 1 67 67 LEU CA C 13 57.012 0.147 . 1 . . . . 67 L CA . 16168 1 626 . 1 1 67 67 LEU CB C 13 42.398 0.18 . 1 . . . . 67 L CB . 16168 1 627 . 1 1 67 67 LEU N N 15 119.999 0.022 . 1 . . . . 67 L N . 16168 1 628 . 1 1 68 68 SER H H 1 8.091 0.007 . 1 . . . . 68 S HN . 16168 1 629 . 1 1 68 68 SER HA H 1 4.352 0.013 . 1 . . . . 68 S HA . 16168 1 630 . 1 1 68 68 SER HB2 H 1 4.04 0.006 . 2 . . . . 68 S HB# . 16168 1 631 . 1 1 68 68 SER HB3 H 1 4.04 0.006 . 2 . . . . 68 S HB# . 16168 1 632 . 1 1 68 68 SER CA C 13 60.421 0.112 . 1 . . . . 68 S CA . 16168 1 633 . 1 1 68 68 SER CB C 13 63.997 0.135 . 1 . . . . 68 S CB . 16168 1 634 . 1 1 68 68 SER N N 15 113.037 0.074 . 1 . . . . 68 S N . 16168 1 635 . 1 1 69 69 THR H H 1 7.765 0.016 . 1 . . . . 69 T HN . 16168 1 636 . 1 1 69 69 THR HB H 1 4.45 0.008 . 1 . . . . 69 T HB . 16168 1 637 . 1 1 69 69 THR HG21 H 1 1.366 0.003 . 1 . . . . 69 T HG2# . 16168 1 638 . 1 1 69 69 THR HG22 H 1 1.366 0.003 . 1 . . . . 69 T HG2# . 16168 1 639 . 1 1 69 69 THR HG23 H 1 1.366 0.003 . 1 . . . . 69 T HG2# . 16168 1 640 . 1 1 69 69 THR CA C 13 63.075 0.215 . 1 . . . . 69 T CA . 16168 1 641 . 1 1 69 69 THR CB C 13 69.994 0.164 . 1 . . . . 69 T CB . 16168 1 642 . 1 1 69 69 THR N N 15 113.132 0.075 . 1 . . . . 69 T N . 16168 1 643 . 1 1 70 70 ARG H H 1 7.915 0.013 . 1 . . . . 70 R HN . 16168 1 644 . 1 1 70 70 ARG HA H 1 4.402 0.001 . 1 . . . . 70 R HA . 16168 1 645 . 1 1 70 70 ARG HB2 H 1 2.095 0.004 . 1 . . . . 70 R HB1 . 16168 1 646 . 1 1 70 70 ARG HB3 H 1 1.953 0.006 . 1 . . . . 70 R HB2 . 16168 1 647 . 1 1 70 70 ARG HD2 H 1 3.304 0.001 . 2 . . . . 70 R HD# . 16168 1 648 . 1 1 70 70 ARG HD3 H 1 3.304 0.001 . 2 . . . . 70 R HD# . 16168 1 649 . 1 1 70 70 ARG HG2 H 1 1.815 0.004 . 2 . . . . 70 R HG# . 16168 1 650 . 1 1 70 70 ARG HG3 H 1 1.815 0.004 . 2 . . . . 70 R HG# . 16168 1 651 . 1 1 70 70 ARG CA C 13 57.068 0.115 . 1 . . . . 70 R CA . 16168 1 652 . 1 1 70 70 ARG CB C 13 30.778 0.203 . 1 . . . . 70 R CB . 16168 1 653 . 1 1 70 70 ARG N N 15 121.113 0.065 . 1 . . . . 70 R N . 16168 1 654 . 1 1 71 71 ARG H H 1 7.891 0.019 . 1 . . . . 71 R HN . 16168 1 655 . 1 1 71 71 ARG HA H 1 4.421 0.019 . 1 . . . . 71 R HA . 16168 1 656 . 1 1 71 71 ARG HB2 H 1 2.067 0.001 . 1 . . . . 71 R HB1 . 16168 1 657 . 1 1 71 71 ARG HB3 H 1 1.874 0.002 . 1 . . . . 71 R HB2 . 16168 1 658 . 1 1 71 71 ARG HD2 H 1 3.305 0.003 . 2 . . . . 71 R HD# . 16168 1 659 . 1 1 71 71 ARG HD3 H 1 3.305 0.003 . 2 . . . . 71 R HD# . 16168 1 660 . 1 1 71 71 ARG HG2 H 1 1.8 0.002 . 2 . . . . 71 R HG# . 16168 1 661 . 1 1 71 71 ARG HG3 H 1 1.8 0.002 . 2 . . . . 71 R HG# . 16168 1 662 . 1 1 71 71 ARG CA C 13 56.407 0.1 . 1 . . . . 71 R CA . 16168 1 663 . 1 1 71 71 ARG CB C 13 31.156 0.204 . 1 . . . . 71 R CB . 16168 1 664 . 1 1 71 71 ARG N N 15 118.899 0.147 . 1 . . . . 71 R N . 16168 1 665 . 1 1 72 72 ARG H H 1 7.804 0.006 . 1 . . . . 72 R HN . 16168 1 666 . 1 1 72 72 ARG HD2 H 1 3.281 0.008 . 2 . . . . 72 R HD# . 16168 1 667 . 1 1 72 72 ARG HD3 H 1 3.281 0.008 . 2 . . . . 72 R HD# . 16168 1 668 . 1 1 72 72 ARG CA C 13 57.289 0.131 . 1 . . . . 72 R CA . 16168 1 669 . 1 1 72 72 ARG CB C 13 31.414 0.097 . 1 . . . . 72 R CB . 16168 1 670 . 1 1 72 72 ARG N N 15 124.828 0.132 . 1 . . . . 72 R N . 16168 1 stop_ save_