################################### # 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_SH3AD20_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SH3AD20_shift_list _Assigned_chem_shift_list.Entry_ID 27817 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $all_samples_conditions _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 '2D 1H-15N HSQC' . . . 27817 1 2 '3D HNCA' . . . 27817 1 3 '3D HN(CO)CA' . . . 27817 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 LYS H H 1 8.418 0.001 . 1 . . . . . 1 LYS H . 27817 1 2 . 1 1 5 5 LYS CA C 13 56.034 0.069 . 1 . . . . . 1 LYS CA . 27817 1 3 . 1 1 5 5 LYS N N 15 124.248 0.002 . 1 . . . . . 1 LYS N . 27817 1 4 . 1 1 6 6 VAL H H 1 8.005 0.001 . 1 . . . . . 2 VAL H . 27817 1 5 . 1 1 6 6 VAL CA C 13 61.770 0.075 . 1 . . . . . 2 VAL CA . 27817 1 6 . 1 1 6 6 VAL N N 15 121.294 0.010 . 1 . . . . . 2 VAL N . 27817 1 7 . 1 1 7 7 VAL H H 1 8.829 0.003 . 1 . . . . . 3 VAL H . 27817 1 8 . 1 1 7 7 VAL CA C 13 60.326 0.083 . 1 . . . . . 3 VAL CA . 27817 1 9 . 1 1 7 7 VAL N N 15 123.243 0.009 . 1 . . . . . 3 VAL N . 27817 1 10 . 1 1 8 8 TYR H H 1 8.874 0.004 . 1 . . . . . 4 TYR H . 27817 1 11 . 1 1 8 8 TYR CA C 13 57.892 0.008 . 1 . . . . . 4 TYR CA . 27817 1 12 . 1 1 8 8 TYR N N 15 121.986 0.008 . 1 . . . . . 4 TYR N . 27817 1 13 . 1 1 9 9 TYR H H 1 9.337 0.001 . 1 . . . . . 5 TYR H . 27817 1 14 . 1 1 9 9 TYR CA C 13 56.235 0.092 . 1 . . . . . 5 TYR CA . 27817 1 15 . 1 1 9 9 TYR N N 15 122.123 0.004 . 1 . . . . . 5 TYR N . 27817 1 16 . 1 1 10 10 ARG H H 1 9.461 0.005 . 1 . . . . . 6 ARG H . 27817 1 17 . 1 1 10 10 ARG CA C 13 53.392 0.078 . 1 . . . . . 6 ARG CA . 27817 1 18 . 1 1 10 10 ARG N N 15 120.962 0.014 . 1 . . . . . 6 ARG N . 27817 1 19 . 1 1 11 11 ALA H H 1 9.363 0.004 . 1 . . . . . 7 ALA H . 27817 1 20 . 1 1 11 11 ALA CA C 13 52.882 0.102 . 1 . . . . . 7 ALA CA . 27817 1 21 . 1 1 11 11 ALA N N 15 128.970 0.011 . 1 . . . . . 7 ALA N . 27817 1 22 . 1 1 12 12 LEU H H 1 9.600 0.006 . 1 . . . . . 8 LEU H . 27817 1 23 . 1 1 12 12 LEU CA C 13 55.177 0.062 . 1 . . . . . 8 LEU CA . 27817 1 24 . 1 1 12 12 LEU N N 15 123.691 0.009 . 1 . . . . . 8 LEU N . 27817 1 25 . 1 1 13 13 TYR H H 1 7.299 0.001 . 1 . . . . . 9 TYR H . 27817 1 26 . 1 1 13 13 TYR CA C 13 53.916 0.000 . 1 . . . . . 9 TYR CA . 27817 1 27 . 1 1 13 13 TYR N N 15 116.721 0.007 . 1 . . . . . 9 TYR N . 27817 1 28 . 1 1 14 14 PRO CA C 13 62.235 0.063 . 1 . . . . . 10 PRO CA . 27817 1 29 . 1 1 15 15 PHE H H 1 8.660 0.003 . 1 . . . . . 11 PHE H . 27817 1 30 . 1 1 15 15 PHE CA C 13 57.935 0.079 . 1 . . . . . 11 PHE CA . 27817 1 31 . 1 1 15 15 PHE N N 15 122.116 0.009 . 1 . . . . . 11 PHE N . 27817 1 32 . 1 1 16 16 GLU H H 1 7.652 0.000 . 1 . . . . . 12 GLU H . 27817 1 33 . 1 1 16 16 GLU CA C 13 54.328 0.070 . 1 . . . . . 12 GLU CA . 27817 1 34 . 1 1 16 16 GLU N N 15 126.919 0.013 . 1 . . . . . 12 GLU N . 27817 1 35 . 1 1 17 17 SER H H 1 8.211 0.002 . 1 . . . . . 13 SER H . 27817 1 36 . 1 1 17 17 SER CA C 13 58.774 0.093 . 1 . . . . . 13 SER CA . 27817 1 37 . 1 1 17 17 SER N N 15 117.994 0.007 . 1 . . . . . 13 SER N . 27817 1 38 . 1 1 18 18 ARG H H 1 9.064 0.006 . 1 . . . . . 14 ARG H . 27817 1 39 . 1 1 18 18 ARG CA C 13 55.771 0.061 . 1 . . . . . 14 ARG CA . 27817 1 40 . 1 1 18 18 ARG N N 15 124.305 0.006 . 1 . . . . . 14 ARG N . 27817 1 41 . 1 1 19 19 SER H H 1 7.888 0.001 . 1 . . . . . 15 SER H . 27817 1 42 . 1 1 19 19 SER CA C 13 57.022 0.000 . 1 . . . . . 15 SER CA . 27817 1 43 . 1 1 19 19 SER N N 15 112.671 0.012 . 1 . . . . . 15 SER N . 27817 1 44 . 1 1 20 20 HIS CA C 13 58.740 0.107 . 1 . . . . . 16 HIS CA . 27817 1 45 . 1 1 21 21 ASP H H 1 8.064 0.001 . 1 . . . . . 17 ASP H . 27817 1 46 . 1 1 21 21 ASP CA C 13 53.570 0.080 . 1 . . . . . 17 ASP CA . 27817 1 47 . 1 1 21 21 ASP N N 15 116.451 0.011 . 1 . . . . . 17 ASP N . 27817 1 48 . 1 1 22 22 GLU H H 1 7.645 0.000 . 1 . . . . . 18 GLU H . 27817 1 49 . 1 1 22 22 GLU CA C 13 54.879 0.068 . 1 . . . . . 18 GLU CA . 27817 1 50 . 1 1 22 22 GLU N N 15 118.777 0.010 . 1 . . . . . 18 GLU N . 27817 1 51 . 1 1 23 23 ILE H H 1 8.290 0.001 . 1 . . . . . 19 ILE H . 27817 1 52 . 1 1 23 23 ILE CA C 13 59.683 0.072 . 1 . . . . . 19 ILE CA . 27817 1 53 . 1 1 23 23 ILE N N 15 116.052 0.080 . 1 . . . . . 19 ILE N . 27817 1 54 . 1 1 24 24 THR H H 1 7.937 0.001 . 1 . . . . . 20 THR H . 27817 1 55 . 1 1 24 24 THR CA C 13 61.803 0.078 . 1 . . . . . 20 THR CA . 27817 1 56 . 1 1 24 24 THR N N 15 118.482 0.006 . 1 . . . . . 20 THR N . 27817 1 57 . 1 1 25 25 ILE H H 1 9.082 0.005 . 1 . . . . . 21 ILE H . 27817 1 58 . 1 1 25 25 ILE CA C 13 59.313 0.081 . 1 . . . . . 21 ILE CA . 27817 1 59 . 1 1 25 25 ILE N N 15 119.906 0.010 . 1 . . . . . 21 ILE N . 27817 1 60 . 1 1 26 26 GLN H H 1 9.211 0.004 . 1 . . . . . 22 GLN H . 27817 1 61 . 1 1 26 26 GLN CA C 13 52.098 0.000 . 1 . . . . . 22 GLN CA . 27817 1 62 . 1 1 26 26 GLN N N 15 122.411 0.010 . 1 . . . . . 22 GLN N . 27817 1 63 . 1 1 27 27 PRO CA C 13 63.988 0.082 . 1 . . . . . 23 PRO CA . 27817 1 64 . 1 1 28 28 GLY H H 1 8.789 0.003 . 1 . . . . . 24 GLY H . 27817 1 65 . 1 1 28 28 GLY CA C 13 44.749 0.031 . 1 . . . . . 24 GLY CA . 27817 1 66 . 1 1 28 28 GLY N N 15 113.503 0.014 . 1 . . . . . 24 GLY N . 27817 1 67 . 1 1 29 29 ASP H H 1 8.332 0.002 . 1 . . . . . 25 ASP H . 27817 1 68 . 1 1 29 29 ASP CA C 13 56.108 0.073 . 1 . . . . . 25 ASP CA . 27817 1 69 . 1 1 29 29 ASP N N 15 122.260 0.017 . 1 . . . . . 25 ASP N . 27817 1 70 . 1 1 30 30 ILE H H 1 8.282 0.002 . 1 . . . . . 26 ILE H . 27817 1 71 . 1 1 30 30 ILE CA C 13 59.558 0.078 . 1 . . . . . 26 ILE CA . 27817 1 72 . 1 1 30 30 ILE N N 15 121.629 0.007 . 1 . . . . . 26 ILE N . 27817 1 73 . 1 1 31 31 VAL H H 1 9.521 0.005 . 1 . . . . . 27 VAL H . 27817 1 74 . 1 1 31 31 VAL CA C 13 61.387 0.073 . 1 . . . . . 27 VAL CA . 27817 1 75 . 1 1 31 31 VAL N N 15 128.544 0.006 . 1 . . . . . 27 VAL N . 27817 1 76 . 1 1 32 32 MET H H 1 8.183 0.001 . 1 . . . . . 28 MET H . 27817 1 77 . 1 1 32 32 MET CA C 13 55.836 0.062 . 1 . . . . . 28 MET CA . 27817 1 78 . 1 1 32 32 MET N N 15 127.215 0.018 . 1 . . . . . 28 MET N . 27817 1 79 . 1 1 33 33 VAL H H 1 9.288 0.004 . 1 . . . . . 34 VAL H . 27817 1 80 . 1 1 33 33 VAL CA C 13 62.141 0.078 . 1 . . . . . 34 VAL CA . 27817 1 81 . 1 1 33 33 VAL N N 15 129.891 0.009 . 1 . . . . . 34 VAL N . 27817 1 82 . 1 1 34 34 ASP H H 1 7.940 0.001 . 1 . . . . . 35 ASP H . 27817 1 83 . 1 1 34 34 ASP CA C 13 51.827 0.073 . 1 . . . . . 35 ASP CA . 27817 1 84 . 1 1 34 34 ASP N N 15 124.848 0.007 . 1 . . . . . 35 ASP N . 27817 1 85 . 1 1 35 35 GLU H H 1 9.223 0.004 . 1 . . . . . 36 GLU H . 27817 1 86 . 1 1 35 35 GLU CA C 13 58.406 0.076 . 1 . . . . . 36 GLU CA . 27817 1 87 . 1 1 35 35 GLU N N 15 125.627 0.011 . 1 . . . . . 36 GLU N . 27817 1 88 . 1 1 36 36 SER H H 1 8.732 0.003 . 1 . . . . . 37 SER H . 27817 1 89 . 1 1 36 36 SER CA C 13 59.971 0.072 . 1 . . . . . 37 SER CA . 27817 1 90 . 1 1 36 36 SER N N 15 114.777 0.009 . 1 . . . . . 37 SER N . 27817 1 91 . 1 1 37 37 GLN H H 1 7.285 0.001 . 1 . . . . . 38 GLN H . 27817 1 92 . 1 1 37 37 GLN CA C 13 55.294 0.078 . 1 . . . . . 38 GLN CA . 27817 1 93 . 1 1 37 37 GLN N N 15 122.151 0.008 . 1 . . . . . 38 GLN N . 27817 1 94 . 1 1 38 38 THR H H 1 8.502 0.002 . 1 . . . . . 39 THR H . 27817 1 95 . 1 1 38 38 THR CA C 13 61.768 0.092 . 1 . . . . . 39 THR CA . 27817 1 96 . 1 1 38 38 THR N N 15 118.253 0.037 . 1 . . . . . 39 THR N . 27817 1 97 . 1 1 39 39 GLY H H 1 8.583 0.002 . 1 . . . . . 40 GLY H . 27817 1 98 . 1 1 39 39 GLY CA C 13 44.594 0.066 . 1 . . . . . 40 GLY CA . 27817 1 99 . 1 1 39 39 GLY N N 15 114.968 0.007 . 1 . . . . . 40 GLY N . 27817 1 100 . 1 1 40 40 GLU H H 1 7.877 0.001 . 1 . . . . . 41 GLU H . 27817 1 101 . 1 1 40 40 GLU CA C 13 54.313 0.000 . 1 . . . . . 41 GLU CA . 27817 1 102 . 1 1 40 40 GLU N N 15 125.593 0.013 . 1 . . . . . 41 GLU N . 27817 1 103 . 1 1 41 41 PRO CA C 13 64.498 0.000 . 1 . . . . . 42 PRO CA . 27817 1 104 . 1 1 42 42 GLY H H 1 8.825 0.002 . 1 . . . . . 43 GLY H . 27817 1 105 . 1 1 42 42 GLY CA C 13 44.988 0.070 . 1 . . . . . 43 GLY CA . 27817 1 106 . 1 1 42 42 GLY N N 15 111.065 0.028 . 1 . . . . . 43 GLY N . 27817 1 107 . 1 1 43 43 TRP H H 1 8.144 0.003 . 1 . . . . . 44 TRP H . 27817 1 108 . 1 1 43 43 TRP HE1 H 1 9.989 0.000 . 1 . . . . . 44 TRP HE1 . 27817 1 109 . 1 1 43 43 TRP CA C 13 56.931 0.071 . 1 . . . . . 44 TRP CA . 27817 1 110 . 1 1 43 43 TRP N N 15 122.296 0.030 . 1 . . . . . 44 TRP N . 27817 1 111 . 1 1 43 43 TRP NE1 N 15 130.031 0.000 . 1 . . . . . 44 TRP NE1 . 27817 1 112 . 1 1 44 44 LEU H H 1 8.776 0.003 . 1 . . . . . 45 LEU H . 27817 1 113 . 1 1 44 44 LEU CA C 13 52.880 0.067 . 1 . . . . . 45 LEU CA . 27817 1 114 . 1 1 44 44 LEU N N 15 122.989 0.007 . 1 . . . . . 45 LEU N . 27817 1 115 . 1 1 45 45 GLY H H 1 8.938 0.004 . 1 . . . . . 46 GLY H . 27817 1 116 . 1 1 45 45 GLY CA C 13 44.385 0.094 . 1 . . . . . 46 GLY CA . 27817 1 117 . 1 1 45 45 GLY N N 15 109.802 0.006 . 1 . . . . . 46 GLY N . 27817 1 118 . 1 1 46 46 GLY H H 1 8.754 0.003 . 1 . . . . . 47 GLY H . 27817 1 119 . 1 1 46 46 GLY CA C 13 45.563 0.044 . 1 . . . . . 47 GLY CA . 27817 1 120 . 1 1 46 46 GLY N N 15 110.215 0.011 . 1 . . . . . 47 GLY N . 27817 1 121 . 1 1 47 47 GLU H H 1 8.547 0.002 . 1 . . . . . 48 GLU H . 27817 1 122 . 1 1 47 47 GLU CA C 13 54.702 0.075 . 1 . . . . . 48 GLU CA . 27817 1 123 . 1 1 47 47 GLU N N 15 119.375 0.008 . 1 . . . . . 48 GLU N . 27817 1 124 . 1 1 48 48 LEU H H 1 9.028 0.004 . 1 . . . . . 49 LEU H . 27817 1 125 . 1 1 48 48 LEU CA C 13 54.802 0.067 . 1 . . . . . 49 LEU CA . 27817 1 126 . 1 1 48 48 LEU N N 15 127.590 0.008 . 1 . . . . . 49 LEU N . 27817 1 127 . 1 1 49 49 LYS H H 1 9.828 0.005 . 1 . . . . . 50 LYS H . 27817 1 128 . 1 1 49 49 LYS CA C 13 57.496 0.075 . 1 . . . . . 50 LYS CA . 27817 1 129 . 1 1 49 49 LYS N N 15 128.065 0.018 . 1 . . . . . 50 LYS N . 27817 1 130 . 1 1 50 50 GLY H H 1 8.920 0.004 . 1 . . . . . 51 GLY H . 27817 1 131 . 1 1 50 50 GLY CA C 13 45.454 0.052 . 1 . . . . . 51 GLY CA . 27817 1 132 . 1 1 50 50 GLY N N 15 104.798 0.010 . 1 . . . . . 51 GLY N . 27817 1 133 . 1 1 51 51 LYS H H 1 7.884 0.001 . 1 . . . . . 52 LYS H . 27817 1 134 . 1 1 51 51 LYS CA C 13 54.750 0.069 . 1 . . . . . 52 LYS CA . 27817 1 135 . 1 1 51 51 LYS N N 15 122.048 0.009 . 1 . . . . . 52 LYS N . 27817 1 136 . 1 1 52 52 THR H H 1 8.273 0.002 . 1 . . . . . 53 THR H . 27817 1 137 . 1 1 52 52 THR CA C 13 59.693 0.074 . 1 . . . . . 53 THR CA . 27817 1 138 . 1 1 52 52 THR N N 15 115.217 0.028 . 1 . . . . . 53 THR N . 27817 1 139 . 1 1 53 53 GLY H H 1 8.597 0.003 . 1 . . . . . 54 GLY H . 27817 1 140 . 1 1 53 53 GLY CA C 13 45.346 0.060 . 1 . . . . . 54 GLY CA . 27817 1 141 . 1 1 53 53 GLY N N 15 111.350 0.017 . 1 . . . . . 54 GLY N . 27817 1 142 . 1 1 54 54 TRP H H 1 8.968 0.005 . 1 . . . . . 55 TRP H . 27817 1 143 . 1 1 54 54 TRP HE1 H 1 10.140 0.000 . 1 . . . . . 55 TRP HE1 . 27817 1 144 . 1 1 54 54 TRP CA C 13 56.186 0.000 . 1 . . . . . 55 TRP CA . 27817 1 145 . 1 1 54 54 TRP N N 15 119.986 0.014 . 1 . . . . . 55 TRP N . 27817 1 146 . 1 1 54 54 TRP NE1 N 15 129.650 0.000 . 1 . . . . . 55 TRP NE1 . 27817 1 147 . 1 1 55 55 PHE H H 1 9.326 0.005 . 1 . . . . . 56 PHE H . 27817 1 148 . 1 1 55 55 PHE CA C 13 55.970 0.051 . 1 . . . . . 56 PHE CA . 27817 1 149 . 1 1 55 55 PHE N N 15 116.961 0.017 . 1 . . . . . 56 PHE N . 27817 1 150 . 1 1 56 56 PRO CA C 13 62.199 0.066 . 1 . . . . . 57 PRO CA . 27817 1 151 . 1 1 57 57 ALA H H 1 8.141 0.002 . 1 . . . . . 58 ALA H . 27817 1 152 . 1 1 57 57 ALA CA C 13 54.826 0.075 . 1 . . . . . 58 ALA CA . 27817 1 153 . 1 1 57 57 ALA N N 15 126.158 0.007 . 1 . . . . . 58 ALA N . 27817 1 154 . 1 1 58 58 ASN H H 1 8.328 0.001 . 1 . . . . . 59 ASN H . 27817 1 155 . 1 1 58 58 ASN CA C 13 53.693 0.090 . 1 . . . . . 59 ASN CA . 27817 1 156 . 1 1 58 58 ASN N N 15 109.316 0.011 . 1 . . . . . 59 ASN N . 27817 1 157 . 1 1 59 59 TYR H H 1 7.961 0.001 . 1 . . . . . 60 TYR H . 27817 1 158 . 1 1 59 59 TYR CA C 13 57.243 0.100 . 1 . . . . . 60 TYR CA . 27817 1 159 . 1 1 59 59 TYR N N 15 120.107 0.017 . 1 . . . . . 60 TYR N . 27817 1 160 . 1 1 60 60 ALA H H 1 8.159 0.002 . 1 . . . . . 61 ALA H . 27817 1 161 . 1 1 60 60 ALA CA C 13 51.151 0.098 . 1 . . . . . 61 ALA CA . 27817 1 162 . 1 1 60 60 ALA N N 15 122.534 0.055 . 1 . . . . . 61 ALA N . 27817 1 163 . 1 1 61 61 GLU H H 1 8.789 0.003 . 1 . . . . . 62 GLU H . 27817 1 164 . 1 1 61 61 GLU CA C 13 53.675 0.068 . 1 . . . . . 62 GLU CA . 27817 1 165 . 1 1 61 61 GLU N N 15 116.843 0.004 . 1 . . . . . 62 GLU N . 27817 1 166 . 1 1 62 62 LYS H H 1 8.684 0.002 . 1 . . . . . 63 LYS H . 27817 1 167 . 1 1 62 62 LYS CA C 13 57.365 0.070 . 1 . . . . . 63 LYS CA . 27817 1 168 . 1 1 62 62 LYS N N 15 127.869 0.009 . 1 . . . . . 63 LYS N . 27817 1 169 . 1 1 63 63 ILE H H 1 8.543 0.003 . 1 . . . . . 64 ILE H . 27817 1 170 . 1 1 63 63 ILE CA C 13 59.676 0.000 . 1 . . . . . 64 ILE CA . 27817 1 171 . 1 1 63 63 ILE N N 15 129.090 0.013 . 1 . . . . . 64 ILE N . 27817 1 172 . 1 1 64 64 PRO CA C 13 63.424 0.073 . 1 . . . . . 65 PRO CA . 27817 1 173 . 1 1 65 65 GLU H H 1 8.052 0.002 . 1 . . . . . 66 GLU H . 27817 1 174 . 1 1 65 65 GLU CA C 13 58.473 0.000 . 1 . . . . . 66 GLU CA . 27817 1 175 . 1 1 65 65 GLU N N 15 126.607 0.007 . 1 . . . . . 66 GLU N . 27817 1 stop_ save_