################################### # 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_L_SH3A_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode L_SH3A_shift_list _Assigned_chem_shift_list.Entry_ID 27818 _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' . . . 27818 1 2 '3D HNCA' . . . 27818 1 3 '3D HN(CO)CA' . . . 27818 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 26 26 VAL CA C 13 61.767 0.010 . 1 . . . . . 22 VAL CA . 27818 1 2 . 1 1 27 27 VAL H H 1 8.612 0.001 . 1 . . . . . 23 VAL H . 27818 1 3 . 1 1 27 27 VAL CA C 13 60.655 0.008 . 1 . . . . . 23 VAL CA . 27818 1 4 . 1 1 27 27 VAL N N 15 125.099 0.005 . 1 . . . . . 23 VAL N . 27818 1 5 . 1 1 28 28 TYR H H 1 8.900 0.001 . 1 . . . . . 24 TYR H . 27818 1 6 . 1 1 28 28 TYR CA C 13 57.674 0.010 . 1 . . . . . 24 TYR CA . 27818 1 7 . 1 1 28 28 TYR N N 15 123.260 0.019 . 1 . . . . . 24 TYR N . 27818 1 8 . 1 1 29 29 TYR H H 1 9.241 0.001 . 1 . . . . . 25 TYR H . 27818 1 9 . 1 1 29 29 TYR CA C 13 56.329 0.021 . 1 . . . . . 25 TYR CA . 27818 1 10 . 1 1 29 29 TYR N N 15 121.178 0.015 . 1 . . . . . 25 TYR N . 27818 1 11 . 1 1 30 30 ARG H H 1 9.459 0.000 . 1 . . . . . 26 ARG H . 27818 1 12 . 1 1 30 30 ARG CA C 13 53.421 0.006 . 1 . . . . . 26 ARG CA . 27818 1 13 . 1 1 30 30 ARG N N 15 121.243 0.020 . 1 . . . . . 26 ARG N . 27818 1 14 . 1 1 31 31 ALA H H 1 9.382 0.001 . 1 . . . . . 27 ALA H . 27818 1 15 . 1 1 31 31 ALA CA C 13 52.869 0.038 . 1 . . . . . 27 ALA CA . 27818 1 16 . 1 1 31 31 ALA N N 15 129.029 0.012 . 1 . . . . . 27 ALA N . 27818 1 17 . 1 1 32 32 LEU H H 1 9.581 0.000 . 1 . . . . . 28 LEU H . 27818 1 18 . 1 1 32 32 LEU CA C 13 55.201 0.012 . 1 . . . . . 28 LEU CA . 27818 1 19 . 1 1 32 32 LEU N N 15 123.643 0.010 . 1 . . . . . 28 LEU N . 27818 1 20 . 1 1 33 33 TYR H H 1 7.243 0.002 . 1 . . . . . 29 TYR H . 27818 1 21 . 1 1 33 33 TYR CA C 13 53.727 0.000 . 1 . . . . . 29 TYR CA . 27818 1 22 . 1 1 33 33 TYR N N 15 116.437 0.014 . 1 . . . . . 29 TYR N . 27818 1 23 . 1 1 34 34 PRO CA C 13 62.222 0.005 . 1 . . . . . 30 PRO CA . 27818 1 24 . 1 1 35 35 PHE H H 1 8.666 0.000 . 1 . . . . . 31 PHE H . 27818 1 25 . 1 1 35 35 PHE CA C 13 57.925 0.010 . 1 . . . . . 31 PHE CA . 27818 1 26 . 1 1 35 35 PHE N N 15 122.053 0.047 . 1 . . . . . 31 PHE N . 27818 1 27 . 1 1 36 36 GLU H H 1 7.649 0.001 . 1 . . . . . 32 GLU H . 27818 1 28 . 1 1 36 36 GLU CA C 13 54.331 0.011 . 1 . . . . . 32 GLU CA . 27818 1 29 . 1 1 36 36 GLU N N 15 126.944 0.020 . 1 . . . . . 32 GLU N . 27818 1 30 . 1 1 37 37 SER H H 1 8.217 0.003 . 1 . . . . . 33 SER H . 27818 1 31 . 1 1 37 37 SER CA C 13 58.728 0.018 . 1 . . . . . 33 SER CA . 27818 1 32 . 1 1 37 37 SER N N 15 117.903 0.019 . 1 . . . . . 33 SER N . 27818 1 33 . 1 1 38 38 ARG H H 1 9.048 0.001 . 1 . . . . . 34 ARG H . 27818 1 34 . 1 1 38 38 ARG CA C 13 55.775 0.031 . 1 . . . . . 34 ARG CA . 27818 1 35 . 1 1 38 38 ARG N N 15 124.479 0.013 . 1 . . . . . 34 ARG N . 27818 1 36 . 1 1 39 39 SER H H 1 7.853 0.001 . 1 . . . . . 35 SER H . 27818 1 37 . 1 1 39 39 SER CA C 13 56.888 0.000 . 1 . . . . . 35 SER CA . 27818 1 38 . 1 1 39 39 SER N N 15 112.450 0.014 . 1 . . . . . 35 SER N . 27818 1 39 . 1 1 40 40 HIS CA C 13 58.804 0.031 . 1 . . . . . 36 HIS CA . 27818 1 40 . 1 1 41 41 ASP H H 1 8.077 0.001 . 1 . . . . . 37 ASP H . 27818 1 41 . 1 1 41 41 ASP CA C 13 53.589 0.009 . 1 . . . . . 37 ASP CA . 27818 1 42 . 1 1 41 41 ASP N N 15 116.045 0.007 . 1 . . . . . 37 ASP N . 27818 1 43 . 1 1 42 42 GLU H H 1 7.658 0.001 . 1 . . . . . 38 GLU H . 27818 1 44 . 1 1 42 42 GLU CA C 13 54.857 0.025 . 1 . . . . . 38 GLU CA . 27818 1 45 . 1 1 42 42 GLU N N 15 118.974 0.014 . 1 . . . . . 38 GLU N . 27818 1 46 . 1 1 43 43 ILE H H 1 8.369 0.001 . 1 . . . . . 39 ILE H . 27818 1 47 . 1 1 43 43 ILE CA C 13 59.655 0.006 . 1 . . . . . 39 ILE CA . 27818 1 48 . 1 1 43 43 ILE N N 15 116.271 0.025 . 1 . . . . . 39 ILE N . 27818 1 49 . 1 1 44 44 THR H H 1 7.916 0.002 . 1 . . . . . 40 THR H . 27818 1 50 . 1 1 44 44 THR CA C 13 61.752 0.010 . 1 . . . . . 40 THR CA . 27818 1 51 . 1 1 44 44 THR N N 15 118.328 0.004 . 1 . . . . . 40 THR N . 27818 1 52 . 1 1 45 45 ILE H H 1 9.092 0.003 . 1 . . . . . 41 ILE H . 27818 1 53 . 1 1 45 45 ILE CA C 13 59.264 0.007 . 1 . . . . . 41 ILE CA . 27818 1 54 . 1 1 45 45 ILE N N 15 119.854 0.015 . 1 . . . . . 41 ILE N . 27818 1 55 . 1 1 46 46 GLN H H 1 9.223 0.001 . 1 . . . . . 42 GLN H . 27818 1 56 . 1 1 46 46 GLN CA C 13 52.065 0.000 . 1 . . . . . 42 GLN CA . 27818 1 57 . 1 1 46 46 GLN N N 15 122.452 0.009 . 1 . . . . . 42 GLN N . 27818 1 58 . 1 1 47 47 PRO CA C 13 63.973 0.011 . 1 . . . . . 43 PRO CA . 27818 1 59 . 1 1 48 48 GLY H H 1 8.804 0.001 . 1 . . . . . 44 GLY H . 27818 1 60 . 1 1 48 48 GLY CA C 13 44.835 0.020 . 1 . . . . . 44 GLY CA . 27818 1 61 . 1 1 48 48 GLY N N 15 113.480 0.006 . 1 . . . . . 44 GLY N . 27818 1 62 . 1 1 49 49 ASP H H 1 8.333 0.002 . 1 . . . . . 45 ASP H . 27818 1 63 . 1 1 49 49 ASP CA C 13 56.087 0.028 . 1 . . . . . 45 ASP CA . 27818 1 64 . 1 1 49 49 ASP N N 15 122.237 0.022 . 1 . . . . . 45 ASP N . 27818 1 65 . 1 1 50 50 ILE H H 1 8.274 0.003 . 1 . . . . . 46 ILE H . 27818 1 66 . 1 1 50 50 ILE CA C 13 59.559 0.017 . 1 . . . . . 46 ILE CA . 27818 1 67 . 1 1 50 50 ILE N N 15 121.479 0.022 . 1 . . . . . 46 ILE N . 27818 1 68 . 1 1 51 51 VAL H H 1 9.538 0.000 . 1 . . . . . 47 VAL H . 27818 1 69 . 1 1 51 51 VAL CA C 13 61.372 0.027 . 1 . . . . . 47 VAL CA . 27818 1 70 . 1 1 51 51 VAL N N 15 128.572 0.002 . 1 . . . . . 47 VAL N . 27818 1 71 . 1 1 52 52 MET H H 1 8.232 0.003 . 1 . . . . . 48 MET H . 27818 1 72 . 1 1 52 52 MET CA C 13 55.762 0.010 . 1 . . . . . 48 MET CA . 27818 1 73 . 1 1 52 52 MET N N 15 126.847 0.039 . 1 . . . . . 48 MET N . 27818 1 74 . 1 1 53 53 VAL H H 1 9.216 0.000 . 1 . . . . . 49 VAL H . 27818 1 75 . 1 1 53 53 VAL CA C 13 62.919 0.044 . 1 . . . . . 49 VAL CA . 27818 1 76 . 1 1 53 53 VAL N N 15 129.487 0.021 . 1 . . . . . 49 VAL N . 27818 1 77 . 1 1 54 54 LYS H H 1 8.602 0.001 . 1 . . . . . 50 LYS H . 27818 1 78 . 1 1 54 54 LYS CA C 13 55.711 0.027 . 1 . . . . . 50 LYS CA . 27818 1 79 . 1 1 54 54 LYS N N 15 126.462 0.028 . 1 . . . . . 50 LYS N . 27818 1 80 . 1 1 55 55 GLY H H 1 8.291 0.001 . 1 . . . . . 51 GLY H . 27818 1 81 . 1 1 55 55 GLY CA C 13 45.468 0.054 . 1 . . . . . 51 GLY CA . 27818 1 82 . 1 1 55 55 GLY N N 15 109.580 0.055 . 1 . . . . . 51 GLY N . 27818 1 83 . 1 1 56 56 GLU H H 1 8.481 0.001 . 1 . . . . . 52 GLU H . 27818 1 84 . 1 1 56 56 GLU CA C 13 56.336 0.167 . 1 . . . . . 52 GLU CA . 27818 1 85 . 1 1 56 56 GLU N N 15 119.041 0.021 . 1 . . . . . 52 GLU N . 27818 1 86 . 1 1 57 57 TRP H H 1 8.223 0.003 . 1 . . . . . 53 TRP H . 27818 1 87 . 1 1 57 57 TRP CA C 13 57.469 0.000 . 1 . . . . . 53 TRP CA . 27818 1 88 . 1 1 57 57 TRP N N 15 122.699 0.047 . 1 . . . . . 53 TRP N . 27818 1 89 . 1 1 58 58 VAL H H 1 7.750 0.001 . 1 . . . . . 54 VAL H . 27818 1 90 . 1 1 58 58 VAL CA C 13 61.760 0.069 . 1 . . . . . 54 VAL CA . 27818 1 91 . 1 1 58 58 VAL N N 15 122.815 0.059 . 1 . . . . . 54 VAL N . 27818 1 92 . 1 1 59 59 ASP H H 1 8.189 0.003 . 1 . . . . . 55 ASP H . 27818 1 93 . 1 1 59 59 ASP CA C 13 53.842 0.015 . 1 . . . . . 55 ASP CA . 27818 1 94 . 1 1 59 59 ASP N N 15 123.927 0.062 . 1 . . . . . 55 ASP N . 27818 1 95 . 1 1 60 60 GLU H H 1 8.544 0.001 . 1 . . . . . 56 GLU H . 27818 1 96 . 1 1 60 60 GLU CA C 13 57.428 0.079 . 1 . . . . . 56 GLU CA . 27818 1 97 . 1 1 60 60 GLU N N 15 123.427 0.007 . 1 . . . . . 56 GLU N . 27818 1 98 . 1 1 61 61 SER H H 1 8.477 0.000 . 1 . . . . . 57 SER H . 27818 1 99 . 1 1 61 61 SER CA C 13 59.467 0.000 . 1 . . . . . 57 SER CA . 27818 1 100 . 1 1 61 61 SER N N 15 115.699 0.005 . 1 . . . . . 57 SER N . 27818 1 101 . 1 1 62 62 GLN CA C 13 55.760 0.047 . 1 . . . . . 58 GLN CA . 27818 1 102 . 1 1 63 63 THR H H 1 8.116 0.001 . 1 . . . . . 59 THR H . 27818 1 103 . 1 1 63 63 THR CA C 13 62.520 0.017 . 1 . . . . . 59 THR CA . 27818 1 104 . 1 1 63 63 THR N N 15 113.186 0.015 . 1 . . . . . 59 THR N . 27818 1 105 . 1 1 64 64 GLY H H 1 8.418 0.004 . 1 . . . . . 60 GLY H . 27818 1 106 . 1 1 64 64 GLY CA C 13 45.242 0.000 . 1 . . . . . 60 GLY CA . 27818 1 107 . 1 1 64 64 GLY N N 15 111.504 0.018 . 1 . . . . . 60 GLY N . 27818 1 108 . 1 1 66 66 PRO CA C 13 63.673 0.032 . 1 . . . . . 62 PRO CA . 27818 1 109 . 1 1 67 67 GLY H H 1 8.374 0.001 . 1 . . . . . 63 GLY H . 27818 1 110 . 1 1 67 67 GLY CA C 13 45.133 0.000 . 1 . . . . . 63 GLY CA . 27818 1 111 . 1 1 67 67 GLY N N 15 107.936 0.028 . 1 . . . . . 63 GLY N . 27818 1 112 . 1 1 69 69 LEU CA C 13 56.380 0.012 . 1 . . . . . 65 LEU CA . 27818 1 113 . 1 1 70 70 GLY H H 1 7.761 0.002 . 1 . . . . . 66 GLY H . 27818 1 114 . 1 1 70 70 GLY CA C 13 44.386 0.063 . 1 . . . . . 66 GLY CA . 27818 1 115 . 1 1 70 70 GLY N N 15 108.633 0.047 . 1 . . . . . 66 GLY N . 27818 1 116 . 1 1 71 71 GLY H H 1 8.844 0.001 . 1 . . . . . 67 GLY H . 27818 1 117 . 1 1 71 71 GLY CA C 13 45.718 0.006 . 1 . . . . . 67 GLY CA . 27818 1 118 . 1 1 71 71 GLY N N 15 110.651 0.015 . 1 . . . . . 67 GLY N . 27818 1 119 . 1 1 72 72 GLU H H 1 8.690 0.001 . 1 . . . . . 68 GLU H . 27818 1 120 . 1 1 72 72 GLU CA C 13 54.511 0.006 . 1 . . . . . 68 GLU CA . 27818 1 121 . 1 1 72 72 GLU N N 15 119.172 0.038 . 1 . . . . . 68 GLU N . 27818 1 122 . 1 1 73 73 LEU H H 1 9.067 0.000 . 1 . . . . . 69 LEU H . 27818 1 123 . 1 1 73 73 LEU CA C 13 54.792 0.049 . 1 . . . . . 69 LEU CA . 27818 1 124 . 1 1 73 73 LEU N N 15 127.715 0.012 . 1 . . . . . 69 LEU N . 27818 1 125 . 1 1 74 74 LYS H H 1 9.829 0.001 . 1 . . . . . 70 LYS H . 27818 1 126 . 1 1 74 74 LYS CA C 13 57.477 0.008 . 1 . . . . . 70 LYS CA . 27818 1 127 . 1 1 74 74 LYS N N 15 128.067 0.034 . 1 . . . . . 70 LYS N . 27818 1 128 . 1 1 75 75 GLY H H 1 8.889 0.001 . 1 . . . . . 71 GLY H . 27818 1 129 . 1 1 75 75 GLY CA C 13 45.530 0.010 . 1 . . . . . 71 GLY CA . 27818 1 130 . 1 1 75 75 GLY N N 15 104.613 0.008 . 1 . . . . . 71 GLY N . 27818 1 131 . 1 1 76 76 LYS H H 1 7.898 0.002 . 1 . . . . . 72 LYS H . 27818 1 132 . 1 1 76 76 LYS CA C 13 54.712 0.033 . 1 . . . . . 72 LYS CA . 27818 1 133 . 1 1 76 76 LYS N N 15 122.074 0.015 . 1 . . . . . 72 LYS N . 27818 1 134 . 1 1 77 77 THR H H 1 8.282 0.002 . 1 . . . . . 73 THR H . 27818 1 135 . 1 1 77 77 THR CA C 13 59.805 0.012 . 1 . . . . . 73 THR CA . 27818 1 136 . 1 1 77 77 THR N N 15 115.514 0.017 . 1 . . . . . 73 THR N . 27818 1 137 . 1 1 78 78 GLY H H 1 8.665 0.000 . 1 . . . . . 74 GLY H . 27818 1 138 . 1 1 78 78 GLY CA C 13 45.410 0.026 . 1 . . . . . 74 GLY CA . 27818 1 139 . 1 1 78 78 GLY N N 15 111.168 0.010 . 1 . . . . . 74 GLY N . 27818 1 140 . 1 1 79 79 TRP H H 1 9.063 0.005 . 1 . . . . . 75 TRP H . 27818 1 141 . 1 1 79 79 TRP CA C 13 56.470 0.038 . 1 . . . . . 75 TRP CA . 27818 1 142 . 1 1 79 79 TRP N N 15 120.002 0.031 . 1 . . . . . 75 TRP N . 27818 1 143 . 1 1 80 80 PHE H H 1 9.433 0.002 . 1 . . . . . 76 PHE H . 27818 1 144 . 1 1 80 80 PHE CA C 13 55.432 0.000 . 1 . . . . . 76 PHE CA . 27818 1 145 . 1 1 80 80 PHE N N 15 117.004 0.025 . 1 . . . . . 76 PHE N . 27818 1 146 . 1 1 82 82 ALA H H 1 8.044 0.005 . 1 . . . . . 78 ALA H . 27818 1 147 . 1 1 82 82 ALA CA C 13 54.805 0.016 . 1 . . . . . 78 ALA CA . 27818 1 148 . 1 1 82 82 ALA N N 15 126.145 0.134 . 1 . . . . . 78 ALA N . 27818 1 149 . 1 1 83 83 ASN H H 1 8.487 0.003 . 1 . . . . . 79 ASN H . 27818 1 150 . 1 1 83 83 ASN CA C 13 53.640 0.058 . 1 . . . . . 79 ASN CA . 27818 1 151 . 1 1 83 83 ASN N N 15 109.056 0.015 . 1 . . . . . 79 ASN N . 27818 1 152 . 1 1 84 84 TYR H H 1 7.957 0.005 . 1 . . . . . 80 TYR H . 27818 1 153 . 1 1 84 84 TYR CA C 13 57.290 0.016 . 1 . . . . . 80 TYR CA . 27818 1 154 . 1 1 84 84 TYR N N 15 120.206 0.043 . 1 . . . . . 80 TYR N . 27818 1 155 . 1 1 85 85 ALA H H 1 8.041 0.003 . 1 . . . . . 81 ALA H . 27818 1 156 . 1 1 85 85 ALA CA C 13 51.032 0.006 . 1 . . . . . 81 ALA CA . 27818 1 157 . 1 1 85 85 ALA N N 15 122.144 0.069 . 1 . . . . . 81 ALA N . 27818 1 158 . 1 1 86 86 GLU H H 1 8.801 0.001 . 1 . . . . . 82 GLU H . 27818 1 159 . 1 1 86 86 GLU CA C 13 53.637 0.014 . 1 . . . . . 82 GLU CA . 27818 1 160 . 1 1 86 86 GLU N N 15 117.037 0.013 . 1 . . . . . 82 GLU N . 27818 1 161 . 1 1 87 87 LYS H H 1 8.765 0.000 . 1 . . . . . 83 LYS H . 27818 1 162 . 1 1 87 87 LYS CA C 13 57.272 0.004 . 1 . . . . . 83 LYS CA . 27818 1 163 . 1 1 87 87 LYS N N 15 127.469 0.008 . 1 . . . . . 83 LYS N . 27818 1 164 . 1 1 88 88 ILE H H 1 8.535 0.001 . 1 . . . . . 84 ILE H . 27818 1 165 . 1 1 88 88 ILE CA C 13 59.552 0.000 . 1 . . . . . 84 ILE CA . 27818 1 166 . 1 1 88 88 ILE N N 15 128.949 0.014 . 1 . . . . . 84 ILE N . 27818 1 167 . 1 1 89 89 PRO CA C 13 63.423 0.007 . 1 . . . . . 85 PRO CA . 27818 1 168 . 1 1 90 90 GLU H H 1 8.058 0.002 . 1 . . . . . 86 GLU H . 27818 1 169 . 1 1 90 90 GLU CA C 13 58.451 0.000 . 1 . . . . . 86 GLU CA . 27818 1 170 . 1 1 90 90 GLU N N 15 126.661 0.036 . 1 . . . . . 86 GLU N . 27818 1 stop_ save_