################################### # 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_ChainA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ChainA _Assigned_chem_shift_list.Entry_ID 18860 _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 '2D DARR' . . . 18860 1 2 '2D NCA' . . . 18860 1 3 '2D NCO' . . . 18860 1 4 '3D NCACB' . . . 18860 1 5 '3D NCACO' . . . 18860 1 6 '3D CANCO' . . . 18860 1 7 '3D NCOCA' . . . 18860 1 8 '3D CCC' . . . 18860 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 15 15 VAL C C 13 174.989 0.15 . 1 . . . . 15 VAL C . 18860 1 2 . 1 1 16 16 VAL C C 13 172.840 0.15 . 1 . . . . 16 VAL C . 18860 1 3 . 1 1 16 16 VAL CA C 13 59.699 0.15 . 1 . . . . 16 VAL CA . 18860 1 4 . 1 1 16 16 VAL CB C 13 37.039 0.15 . 1 . . . . 16 VAL CB . 18860 1 5 . 1 1 16 16 VAL N N 15 122.198 0.15 . 1 . . . . 16 VAL N . 18860 1 6 . 1 1 17 17 ALA C C 13 174.740 0.15 . 1 . . . . 17 ALA C . 18860 1 7 . 1 1 17 17 ALA CA C 13 50.690 0.15 . 1 . . . . 17 ALA CA . 18860 1 8 . 1 1 17 17 ALA CB C 13 24.286 0.15 . 1 . . . . 17 ALA CB . 18860 1 9 . 1 1 17 17 ALA N N 15 127.891 0.15 . 1 . . . . 17 ALA N . 18860 1 10 . 1 1 18 18 ALA C C 13 175.708 0.15 . 1 . . . . 18 ALA C . 18860 1 11 . 1 1 18 18 ALA CA C 13 50.807 0.15 . 1 . . . . 18 ALA CA . 18860 1 12 . 1 1 18 18 ALA CB C 13 23.734 0.15 . 1 . . . . 18 ALA CB . 18860 1 13 . 1 1 18 18 ALA N N 15 124.992 0.15 . 1 . . . . 18 ALA N . 18860 1 14 . 1 1 19 19 ALA C C 13 175.279 0.15 . 1 . . . . 19 ALA C . 18860 1 15 . 1 1 19 19 ALA CA C 13 51.162 0.15 . 1 . . . . 19 ALA CA . 18860 1 16 . 1 1 19 19 ALA CB C 13 23.794 0.15 . 1 . . . . 19 ALA CB . 18860 1 17 . 1 1 19 19 ALA N N 15 125.140 0.15 . 1 . . . . 19 ALA N . 18860 1 18 . 1 1 20 20 GLU CA C 13 55.050 0.15 . 1 . . . . 20 GLU CA . 18860 1 19 . 1 1 20 20 GLU CB C 13 35.082 0.15 . 1 . . . . 20 GLU CB . 18860 1 20 . 1 1 20 20 GLU CG C 13 36.618 0.15 . 1 . . . . 20 GLU CG . 18860 1 21 . 1 1 20 20 GLU N N 15 120.120 0.15 . 1 . . . . 20 GLU N . 18860 1 22 . 1 1 37 37 VAL C C 13 174.758 0.15 . 1 . . . . 37 VAL C . 18860 1 23 . 1 1 37 37 VAL CA C 13 61.077 0.15 . 1 . . . . 37 VAL CA . 18860 1 24 . 1 1 38 38 LEU C C 13 173.318 0.15 . 1 . . . . 38 LEU C . 18860 1 25 . 1 1 38 38 LEU CA C 13 55.071 0.15 . 1 . . . . 38 LEU CA . 18860 1 26 . 1 1 38 38 LEU CB C 13 43.059 0.15 . 1 . . . . 38 LEU CB . 18860 1 27 . 1 1 38 38 LEU CG C 13 28.977 0.15 . 1 . . . . 38 LEU CG . 18860 1 28 . 1 1 38 38 LEU CD1 C 13 24.839 0.15 . 2 . . . . 38 LEU CD1 . 18860 1 29 . 1 1 38 38 LEU CD2 C 13 26.189 0.15 . 2 . . . . 38 LEU CD2 . 18860 1 30 . 1 1 38 38 LEU N N 15 134.231 0.15 . 1 . . . . 38 LEU N . 18860 1 31 . 1 1 39 39 TYR C C 13 173.388 0.15 . 1 . . . . 39 TYR C . 18860 1 32 . 1 1 39 39 TYR CA C 13 56.293 0.15 . 1 . . . . 39 TYR CA . 18860 1 33 . 1 1 39 39 TYR CB C 13 42.124 0.15 . 1 . . . . 39 TYR CB . 18860 1 34 . 1 1 39 39 TYR N N 15 129.272 0.15 . 1 . . . . 39 TYR N . 18860 1 35 . 1 1 40 40 VAL C C 13 173.099 0.15 . 1 . . . . 40 VAL C . 18860 1 36 . 1 1 40 40 VAL CA C 13 60.704 0.15 . 1 . . . . 40 VAL CA . 18860 1 37 . 1 1 40 40 VAL CB C 13 34.984 0.15 . 1 . . . . 40 VAL CB . 18860 1 38 . 1 1 40 40 VAL CG1 C 13 21.302 0.15 . 2 . . . . 40 VAL CG1 . 18860 1 39 . 1 1 40 40 VAL CG2 C 13 21.710 0.15 . 2 . . . . 40 VAL CG2 . 18860 1 40 . 1 1 40 40 VAL N N 15 128.197 0.15 . 1 . . . . 40 VAL N . 18860 1 41 . 1 1 41 41 GLY C C 13 173.150 0.15 . 1 . . . . 41 GLY C . 18860 1 42 . 1 1 41 41 GLY CA C 13 44.761 0.15 . 1 . . . . 41 GLY CA . 18860 1 43 . 1 1 41 41 GLY N N 15 115.298 0.15 . 1 . . . . 41 GLY N . 18860 1 44 . 1 1 42 42 SER C C 13 174.094 0.15 . 1 . . . . 42 SER C . 18860 1 45 . 1 1 42 42 SER CA C 13 55.324 0.15 . 1 . . . . 42 SER CA . 18860 1 46 . 1 1 42 42 SER CB C 13 65.940 0.15 . 1 . . . . 42 SER CB . 18860 1 47 . 1 1 42 42 SER N N 15 118.440 0.15 . 1 . . . . 42 SER N . 18860 1 48 . 1 1 43 43 LYS C C 13 175.424 0.15 . 1 . . . . 43 LYS C . 18860 1 49 . 1 1 43 43 LYS CA C 13 55.500 0.15 . 1 . . . . 43 LYS CA . 18860 1 50 . 1 1 43 43 LYS CB C 13 35.814 0.15 . 1 . . . . 43 LYS CB . 18860 1 51 . 1 1 43 43 LYS N N 15 129.426 0.15 . 1 . . . . 43 LYS N . 18860 1 52 . 1 1 44 44 THR C C 13 174.182 0.15 . 1 . . . . 44 THR C . 18860 1 53 . 1 1 44 44 THR CA C 13 60.774 0.15 . 1 . . . . 44 THR CA . 18860 1 54 . 1 1 44 44 THR CB C 13 72.166 0.15 . 1 . . . . 44 THR CB . 18860 1 55 . 1 1 44 44 THR CG2 C 13 21.709 0.15 . 1 . . . . 44 THR CG2 . 18860 1 56 . 1 1 44 44 THR N N 15 123.746 0.15 . 1 . . . . 44 THR N . 18860 1 57 . 1 1 45 45 LYS C C 13 174.647 0.15 . 1 . . . . 45 LYS C . 18860 1 58 . 1 1 45 45 LYS CA C 13 60.397 0.15 . 1 . . . . 45 LYS CA . 18860 1 59 . 1 1 45 45 LYS CB C 13 32.779 0.15 . 1 . . . . 45 LYS CB . 18860 1 60 . 1 1 45 45 LYS CG C 13 27.489 0.15 . 1 . . . . 45 LYS CG . 18860 1 61 . 1 1 45 45 LYS CD C 13 31.310 0.15 . 1 . . . . 45 LYS CD . 18860 1 62 . 1 1 45 45 LYS CE C 13 42.366 0.15 . 1 . . . . 45 LYS CE . 18860 1 63 . 1 1 45 45 LYS N N 15 129.195 0.15 . 1 . . . . 45 LYS N . 18860 1 64 . 1 1 46 46 GLU C C 13 174.863 0.15 . 1 . . . . 46 GLU C . 18860 1 65 . 1 1 46 46 GLU CA C 13 54.617 0.15 . 1 . . . . 46 GLU CA . 18860 1 66 . 1 1 46 46 GLU CB C 13 33.257 0.15 . 1 . . . . 46 GLU CB . 18860 1 67 . 1 1 46 46 GLU CG C 13 36.359 0.15 . 1 . . . . 46 GLU CG . 18860 1 68 . 1 1 46 46 GLU CD C 13 183.504 0.15 . 1 . . . . 46 GLU CD . 18860 1 69 . 1 1 46 46 GLU N N 15 118.415 0.204 . 1 . . . . 46 GLU N . 18860 1 70 . 1 1 47 47 GLY C C 13 171.365 0.15 . 1 . . . . 47 GLY C . 18860 1 71 . 1 1 47 47 GLY CA C 13 45.042 0.15 . 1 . . . . 47 GLY CA . 18860 1 72 . 1 1 47 47 GLY N N 15 109.911 0.215 . 1 . . . . 47 GLY N . 18860 1 73 . 1 1 48 48 VAL C C 13 175.041 0.15 . 1 . . . . 48 VAL C . 18860 1 74 . 1 1 48 48 VAL CA C 13 61.566 0.15 . 1 . . . . 48 VAL CA . 18860 1 75 . 1 1 48 48 VAL CB C 13 34.451 0.15 . 1 . . . . 48 VAL CB . 18860 1 76 . 1 1 48 48 VAL CG2 C 13 21.101 0.15 . 1 . . . . 48 VAL CG2 . 18860 1 77 . 1 1 48 48 VAL N N 15 127.904 0.15 . 1 . . . . 48 VAL N . 18860 1 78 . 1 1 49 49 VAL C C 13 173.882 0.15 . 1 . . . . 49 VAL C . 18860 1 79 . 1 1 49 49 VAL CA C 13 60.550 0.15 . 1 . . . . 49 VAL CA . 18860 1 80 . 1 1 49 49 VAL CB C 13 36.601 0.15 . 1 . . . . 49 VAL CB . 18860 1 81 . 1 1 49 49 VAL CG1 C 13 21.179 0.15 . 2 . . . . 49 VAL CG1 . 18860 1 82 . 1 1 49 49 VAL CG2 C 13 23.495 0.15 . 2 . . . . 49 VAL CG2 . 18860 1 83 . 1 1 49 49 VAL N N 15 124.973 0.269 . 1 . . . . 49 VAL N . 18860 1 84 . 1 1 50 50 HIS C C 13 177.245 0.15 . 1 . . . . 50 HIS C . 18860 1 85 . 1 1 50 50 HIS CA C 13 53.884 0.15 . 1 . . . . 50 HIS CA . 18860 1 86 . 1 1 50 50 HIS CB C 13 32.780 0.164 . 1 . . . . 50 HIS CB . 18860 1 87 . 1 1 50 50 HIS CG C 13 133.280 0.15 . 1 . . . . 50 HIS CG . 18860 1 88 . 1 1 50 50 HIS CD2 C 13 120.513 0.15 . 1 . . . . 50 HIS CD2 . 18860 1 89 . 1 1 50 50 HIS CE1 C 13 133.799 0.15 . 1 . . . . 50 HIS CE1 . 18860 1 90 . 1 1 50 50 HIS N N 15 126.400 0.15 . 1 . . . . 50 HIS N . 18860 1 91 . 1 1 51 51 GLY C C 13 171.165 0.15 . 1 . . . . 51 GLY C . 18860 1 92 . 1 1 51 51 GLY CA C 13 49.113 0.15 . 1 . . . . 51 GLY CA . 18860 1 93 . 1 1 51 51 GLY N N 15 116.707 0.15 . 1 . . . . 51 GLY N . 18860 1 94 . 1 1 52 52 VAL C C 13 175.313 0.15 . 1 . . . . 52 VAL C . 18860 1 95 . 1 1 52 52 VAL CA C 13 61.331 0.15 . 1 . . . . 52 VAL CA . 18860 1 96 . 1 1 52 52 VAL CB C 13 35.493 0.15 . 1 . . . . 52 VAL CB . 18860 1 97 . 1 1 52 52 VAL CG1 C 13 21.514 0.15 . 2 . . . . 52 VAL CG1 . 18860 1 98 . 1 1 52 52 VAL CG2 C 13 23.088 0.15 . 2 . . . . 52 VAL CG2 . 18860 1 99 . 1 1 52 52 VAL N N 15 123.220 0.15 . 1 . . . . 52 VAL N . 18860 1 100 . 1 1 53 53 ALA C C 13 176.587 0.15 . 1 . . . . 53 ALA C . 18860 1 101 . 1 1 53 53 ALA CA C 13 51.038 0.15 . 1 . . . . 53 ALA CA . 18860 1 102 . 1 1 53 53 ALA CB C 13 23.210 0.15 . 1 . . . . 53 ALA CB . 18860 1 103 . 1 1 53 53 ALA N N 15 131.812 0.15 . 1 . . . . 53 ALA N . 18860 1 104 . 1 1 54 54 THR C C 13 172.970 0.15 . 1 . . . . 54 THR C . 18860 1 105 . 1 1 54 54 THR CA C 13 62.965 0.15 . 1 . . . . 54 THR CA . 18860 1 106 . 1 1 54 54 THR CB C 13 69.905 0.15 . 1 . . . . 54 THR CB . 18860 1 107 . 1 1 54 54 THR CG2 C 13 23.158 0.15 . 1 . . . . 54 THR CG2 . 18860 1 108 . 1 1 54 54 THR N N 15 123.016 0.15 . 1 . . . . 54 THR N . 18860 1 109 . 1 1 55 55 VAL C C 13 175.757 0.15 . 1 . . . . 55 VAL C . 18860 1 110 . 1 1 55 55 VAL CA C 13 60.602 0.15 . 1 . . . . 55 VAL CA . 18860 1 111 . 1 1 55 55 VAL CB C 13 36.519 0.15 . 1 . . . . 55 VAL CB . 18860 1 112 . 1 1 55 55 VAL CG1 C 13 21.308 0.15 . 2 . . . . 55 VAL CG1 . 18860 1 113 . 1 1 55 55 VAL CG2 C 13 20.565 0.15 . 2 . . . . 55 VAL CG2 . 18860 1 114 . 1 1 55 55 VAL N N 15 126.200 0.15 . 1 . . . . 55 VAL N . 18860 1 115 . 1 1 56 56 ALA C C 13 178.457 0.15 . 1 . . . . 56 ALA C . 18860 1 116 . 1 1 56 56 ALA CA C 13 50.386 0.15 . 1 . . . . 56 ALA CA . 18860 1 117 . 1 1 56 56 ALA CB C 13 23.366 0.15 . 1 . . . . 56 ALA CB . 18860 1 118 . 1 1 56 56 ALA N N 15 127.226 0.156 . 1 . . . . 56 ALA N . 18860 1 119 . 1 1 57 57 GLU C C 13 175.842 0.15 . 1 . . . . 57 GLU C . 18860 1 120 . 1 1 57 57 GLU CA C 13 59.978 0.15 . 1 . . . . 57 GLU CA . 18860 1 121 . 1 1 57 57 GLU CB C 13 28.850 0.167 . 1 . . . . 57 GLU CB . 18860 1 122 . 1 1 57 57 GLU CG C 13 37.048 0.15 . 1 . . . . 57 GLU CG . 18860 1 123 . 1 1 57 57 GLU CD C 13 183.480 0.15 . 1 . . . . 57 GLU CD . 18860 1 124 . 1 1 57 57 GLU N N 15 121.227 0.15 . 1 . . . . 57 GLU N . 18860 1 125 . 1 1 58 58 LYS C C 13 173.731 0.15 . 1 . . . . 58 LYS C . 18860 1 126 . 1 1 58 58 LYS CA C 13 55.445 0.15 . 1 . . . . 58 LYS CA . 18860 1 127 . 1 1 58 58 LYS CB C 13 35.684 0.15 . 1 . . . . 58 LYS CB . 18860 1 128 . 1 1 58 58 LYS CG C 13 25.844 0.15 . 1 . . . . 58 LYS CG . 18860 1 129 . 1 1 58 58 LYS CD C 13 30.129 0.15 . 1 . . . . 58 LYS CD . 18860 1 130 . 1 1 58 58 LYS N N 15 119.991 0.180 . 1 . . . . 58 LYS N . 18860 1 131 . 1 1 59 59 THR C C 13 172.438 0.15 . 1 . . . . 59 THR C . 18860 1 132 . 1 1 59 59 THR CA C 13 57.123 0.15 . 1 . . . . 59 THR CA . 18860 1 133 . 1 1 59 59 THR CB C 13 68.765 0.15 . 1 . . . . 59 THR CB . 18860 1 134 . 1 1 59 59 THR CG2 C 13 18.968 0.15 . 1 . . . . 59 THR CG2 . 18860 1 135 . 1 1 59 59 THR N N 15 119.582 0.15 . 1 . . . . 59 THR N . 18860 1 136 . 1 1 60 60 LYS C C 13 174.630 0.15 . 1 . . . . 60 LYS C . 18860 1 137 . 1 1 60 60 LYS CA C 13 58.727 0.15 . 1 . . . . 60 LYS CA . 18860 1 138 . 1 1 60 60 LYS CB C 13 33.087 0.152 . 1 . . . . 60 LYS CB . 18860 1 139 . 1 1 60 60 LYS CG C 13 26.156 0.15 . 1 . . . . 60 LYS CG . 18860 1 140 . 1 1 60 60 LYS CD C 13 29.689 0.15 . 1 . . . . 60 LYS CD . 18860 1 141 . 1 1 60 60 LYS N N 15 123.151 0.15 . 1 . . . . 60 LYS N . 18860 1 142 . 1 1 61 61 GLU C C 13 176.325 0.15 . 1 . . . . 61 GLU C . 18860 1 143 . 1 1 61 61 GLU CA C 13 56.414 0.15 . 1 . . . . 61 GLU CA . 18860 1 144 . 1 1 61 61 GLU CB C 13 32.578 0.15 . 1 . . . . 61 GLU CB . 18860 1 145 . 1 1 61 61 GLU CG C 13 33.389 0.15 . 1 . . . . 61 GLU CG . 18860 1 146 . 1 1 61 61 GLU N N 15 116.356 0.15 . 1 . . . . 61 GLU N . 18860 1 147 . 1 1 62 62 GLN C C 13 174.521 0.15 . 1 . . . . 62 GLN C . 18860 1 148 . 1 1 62 62 GLN CA C 13 55.504 0.15 . 1 . . . . 62 GLN CA . 18860 1 149 . 1 1 62 62 GLN CB C 13 33.465 0.15 . 1 . . . . 62 GLN CB . 18860 1 150 . 1 1 62 62 GLN CG C 13 35.820 0.15 . 1 . . . . 62 GLN CG . 18860 1 151 . 1 1 62 62 GLN CD C 13 178.428 0.15 . 1 . . . . 62 GLN CD . 18860 1 152 . 1 1 62 62 GLN N N 15 121.327 0.15 . 1 . . . . 62 GLN N . 18860 1 153 . 1 1 62 62 GLN NE2 N 15 110.739 0.15 . 1 . . . . 62 GLN NE2 . 18860 1 154 . 1 1 63 63 VAL C C 13 175.674 0.15 . 1 . . . . 63 VAL C . 18860 1 155 . 1 1 63 63 VAL CA C 13 60.933 0.15 . 1 . . . . 63 VAL CA . 18860 1 156 . 1 1 63 63 VAL CB C 13 36.761 0.15 . 1 . . . . 63 VAL CB . 18860 1 157 . 1 1 63 63 VAL CG1 C 13 21.921 0.15 . 2 . . . . 63 VAL CG1 . 18860 1 158 . 1 1 63 63 VAL CG2 C 13 20.713 0.15 . 2 . . . . 63 VAL CG2 . 18860 1 159 . 1 1 63 63 VAL N N 15 123.149 0.15 . 1 . . . . 63 VAL N . 18860 1 160 . 1 1 64 64 THR C C 13 173.405 0.15 . 1 . . . . 64 THR C . 18860 1 161 . 1 1 64 64 THR CA C 13 61.981 0.15 . 1 . . . . 64 THR CA . 18860 1 162 . 1 1 64 64 THR CB C 13 70.118 0.15 . 1 . . . . 64 THR CB . 18860 1 163 . 1 1 64 64 THR CG2 C 13 19.796 0.15 . 1 . . . . 64 THR CG2 . 18860 1 164 . 1 1 64 64 THR N N 15 125.590 0.15 . 1 . . . . 64 THR N . 18860 1 165 . 1 1 65 65 ASN C C 13 173.767 0.15 . 1 . . . . 65 ASN C . 18860 1 166 . 1 1 65 65 ASN CA C 13 51.911 0.15 . 1 . . . . 65 ASN CA . 18860 1 167 . 1 1 65 65 ASN CB C 13 40.984 0.15 . 1 . . . . 65 ASN CB . 18860 1 168 . 1 1 65 65 ASN N N 15 123.156 0.15 . 1 . . . . 65 ASN N . 18860 1 169 . 1 1 65 65 ASN ND2 N 15 109.902 0.15 . 1 . . . . 65 ASN ND2 . 18860 1 170 . 1 1 66 66 VAL C C 13 175.362 0.15 . 1 . . . . 66 VAL C . 18860 1 171 . 1 1 66 66 VAL CA C 13 61.446 0.15 . 1 . . . . 66 VAL CA . 18860 1 172 . 1 1 66 66 VAL CB C 13 32.674 0.15 . 1 . . . . 66 VAL CB . 18860 1 173 . 1 1 66 66 VAL CG1 C 13 19.376 0.15 . 2 . . . . 66 VAL CG1 . 18860 1 174 . 1 1 66 66 VAL CG2 C 13 21.774 0.15 . 2 . . . . 66 VAL CG2 . 18860 1 175 . 1 1 66 66 VAL N N 15 124.073 0.15 . 1 . . . . 66 VAL N . 18860 1 176 . 1 1 67 67 GLY C C 13 174.040 0.15 . 1 . . . . 67 GLY C . 18860 1 177 . 1 1 67 67 GLY CA C 13 45.437 0.15 . 1 . . . . 67 GLY CA . 18860 1 178 . 1 1 67 67 GLY N N 15 118.939 0.15 . 1 . . . . 67 GLY N . 18860 1 179 . 1 1 68 68 GLY C C 13 171.585 0.15 . 1 . . . . 68 GLY C . 18860 1 180 . 1 1 68 68 GLY CA C 13 43.951 0.15 . 1 . . . . 68 GLY CA . 18860 1 181 . 1 1 68 68 GLY N N 15 109.001 0.15 . 1 . . . . 68 GLY N . 18860 1 182 . 1 1 69 69 ALA C C 13 175.667 0.15 . 1 . . . . 69 ALA C . 18860 1 183 . 1 1 69 69 ALA CA C 13 49.989 0.15 . 1 . . . . 69 ALA CA . 18860 1 184 . 1 1 69 69 ALA CB C 13 21.955 0.15 . 1 . . . . 69 ALA CB . 18860 1 185 . 1 1 69 69 ALA N N 15 125.710 0.15 . 1 . . . . 69 ALA N . 18860 1 186 . 1 1 70 70 VAL C C 13 175.720 0.15 . 1 . . . . 70 VAL C . 18860 1 187 . 1 1 70 70 VAL CA C 13 61.191 0.15 . 1 . . . . 70 VAL CA . 18860 1 188 . 1 1 70 70 VAL CB C 13 34.055 0.15 . 1 . . . . 70 VAL CB . 18860 1 189 . 1 1 70 70 VAL CG1 C 13 21.768 0.15 . 2 . . . . 70 VAL CG1 . 18860 1 190 . 1 1 70 70 VAL CG2 C 13 22.803 0.15 . 2 . . . . 70 VAL CG2 . 18860 1 191 . 1 1 70 70 VAL N N 15 122.300 0.15 . 1 . . . . 70 VAL N . 18860 1 192 . 1 1 71 71 VAL C C 13 174.307 0.15 . 1 . . . . 71 VAL C . 18860 1 193 . 1 1 71 71 VAL CA C 13 60.984 0.15 . 1 . . . . 71 VAL CA . 18860 1 194 . 1 1 71 71 VAL CB C 13 34.034 0.15 . 1 . . . . 71 VAL CB . 18860 1 195 . 1 1 71 71 VAL CG1 C 13 19.916 0.15 . 2 . . . . 71 VAL CG1 . 18860 1 196 . 1 1 71 71 VAL CG2 C 13 20.210 0.15 . 2 . . . . 71 VAL CG2 . 18860 1 197 . 1 1 71 71 VAL N N 15 131.767 0.15 . 1 . . . . 71 VAL N . 18860 1 198 . 1 1 72 72 THR C C 13 173.248 0.15 . 1 . . . . 72 THR C . 18860 1 199 . 1 1 72 72 THR CA C 13 60.530 0.15 . 1 . . . . 72 THR CA . 18860 1 200 . 1 1 72 72 THR CB C 13 70.533 0.15 . 1 . . . . 72 THR CB . 18860 1 201 . 1 1 72 72 THR CG2 C 13 23.418 0.15 . 1 . . . . 72 THR CG2 . 18860 1 202 . 1 1 72 72 THR N N 15 125.141 0.15 . 1 . . . . 72 THR N . 18860 1 203 . 1 1 73 73 GLY C C 13 174.356 0.15 . 1 . . . . 73 GLY C . 18860 1 204 . 1 1 73 73 GLY CA C 13 47.671 0.15 . 1 . . . . 73 GLY CA . 18860 1 205 . 1 1 73 73 GLY N N 15 113.085 0.15 . 1 . . . . 73 GLY N . 18860 1 206 . 1 1 74 74 VAL C C 13 178.119 0.15 . 1 . . . . 74 VAL C . 18860 1 207 . 1 1 74 74 VAL CA C 13 69.343 0.15 . 1 . . . . 74 VAL CA . 18860 1 208 . 1 1 74 74 VAL CB C 13 29.377 0.15 . 1 . . . . 74 VAL CB . 18860 1 209 . 1 1 74 74 VAL CG1 C 13 22.621 0.15 . 2 . . . . 74 VAL CG1 . 18860 1 210 . 1 1 74 74 VAL CG2 C 13 24.345 0.15 . 2 . . . . 74 VAL CG2 . 18860 1 211 . 1 1 74 74 VAL N N 15 119.012 0.206 . 1 . . . . 74 VAL N . 18860 1 212 . 1 1 75 75 THR C C 13 172.225 0.15 . 1 . . . . 75 THR C . 18860 1 213 . 1 1 75 75 THR CA C 13 62.822 0.15 . 1 . . . . 75 THR CA . 18860 1 214 . 1 1 75 75 THR CB C 13 69.337 0.15 . 1 . . . . 75 THR CB . 18860 1 215 . 1 1 75 75 THR CG2 C 13 22.140 0.15 . 1 . . . . 75 THR CG2 . 18860 1 216 . 1 1 75 75 THR N N 15 119.636 0.15 . 1 . . . . 75 THR N . 18860 1 217 . 1 1 76 76 ALA C C 13 174.680 0.15 . 1 . . . . 76 ALA C . 18860 1 218 . 1 1 76 76 ALA CA C 13 50.374 0.15 . 1 . . . . 76 ALA CA . 18860 1 219 . 1 1 76 76 ALA CB C 13 22.099 0.15 . 1 . . . . 76 ALA CB . 18860 1 220 . 1 1 76 76 ALA N N 15 132.300 0.15 . 1 . . . . 76 ALA N . 18860 1 221 . 1 1 77 77 VAL C C 13 173.159 0.15 . 1 . . . . 77 VAL C . 18860 1 222 . 1 1 77 77 VAL CA C 13 60.478 0.15 . 1 . . . . 77 VAL CA . 18860 1 223 . 1 1 77 77 VAL CB C 13 36.181 0.15 . 1 . . . . 77 VAL CB . 18860 1 224 . 1 1 77 77 VAL CG1 C 13 21.539 0.15 . 2 . . . . 77 VAL CG1 . 18860 1 225 . 1 1 77 77 VAL CG2 C 13 21.859 0.15 . 2 . . . . 77 VAL CG2 . 18860 1 226 . 1 1 77 77 VAL N N 15 122.132 0.155 . 1 . . . . 77 VAL N . 18860 1 227 . 1 1 78 78 ALA C C 13 174.402 0.15 . 1 . . . . 78 ALA C . 18860 1 228 . 1 1 78 78 ALA CA C 13 49.650 0.15 . 1 . . . . 78 ALA CA . 18860 1 229 . 1 1 78 78 ALA CB C 13 21.784 0.15 . 1 . . . . 78 ALA CB . 18860 1 230 . 1 1 78 78 ALA N N 15 129.486 0.15 . 1 . . . . 78 ALA N . 18860 1 231 . 1 1 79 79 GLN C C 13 175.631 0.15 . 1 . . . . 79 GLN C . 18860 1 232 . 1 1 79 79 GLN CA C 13 53.597 0.15 . 1 . . . . 79 GLN CA . 18860 1 233 . 1 1 79 79 GLN CB C 13 33.291 0.15 . 1 . . . . 79 GLN CB . 18860 1 234 . 1 1 79 79 GLN CG C 13 35.215 0.15 . 1 . . . . 79 GLN CG . 18860 1 235 . 1 1 79 79 GLN CD C 13 178.725 0.15 . 1 . . . . 79 GLN CD . 18860 1 236 . 1 1 79 79 GLN N N 15 122.452 0.15 . 1 . . . . 79 GLN N . 18860 1 237 . 1 1 80 80 LYS C C 13 174.818 0.15 . 1 . . . . 80 LYS C . 18860 1 238 . 1 1 80 80 LYS CA C 13 57.640 0.15 . 1 . . . . 80 LYS CA . 18860 1 239 . 1 1 80 80 LYS CB C 13 28.942 0.15 . 1 . . . . 80 LYS CB . 18860 1 240 . 1 1 80 80 LYS CG C 13 26.969 0.15 . 1 . . . . 80 LYS CG . 18860 1 241 . 1 1 80 80 LYS N N 15 127.778 0.15 . 1 . . . . 80 LYS N . 18860 1 242 . 1 1 81 81 THR C C 13 174.106 0.15 . 1 . . . . 81 THR C . 18860 1 243 . 1 1 81 81 THR CA C 13 59.735 0.15 . 1 . . . . 81 THR CA . 18860 1 244 . 1 1 81 81 THR CB C 13 73.744 0.15 . 1 . . . . 81 THR CB . 18860 1 245 . 1 1 81 81 THR CG2 C 13 22.445 0.15 . 1 . . . . 81 THR CG2 . 18860 1 246 . 1 1 81 81 THR N N 15 108.228 0.15 . 1 . . . . 81 THR N . 18860 1 247 . 1 1 82 82 VAL C C 13 174.331 0.15 . 1 . . . . 82 VAL C . 18860 1 248 . 1 1 82 82 VAL CA C 13 64.646 0.15 . 1 . . . . 82 VAL CA . 18860 1 249 . 1 1 82 82 VAL CB C 13 28.431 0.15 . 1 . . . . 82 VAL CB . 18860 1 250 . 1 1 82 82 VAL CG1 C 13 23.622 0.15 . 2 . . . . 82 VAL CG1 . 18860 1 251 . 1 1 82 82 VAL CG2 C 13 22.667 0.15 . 2 . . . . 82 VAL CG2 . 18860 1 252 . 1 1 82 82 VAL N N 15 121.354 0.15 . 1 . . . . 82 VAL N . 18860 1 253 . 1 1 83 83 GLU C C 13 175.631 0.15 . 1 . . . . 83 GLU C . 18860 1 254 . 1 1 83 83 GLU CA C 13 54.838 0.15 . 1 . . . . 83 GLU CA . 18860 1 255 . 1 1 83 83 GLU N N 15 119.690 0.15 . 1 . . . . 83 GLU N . 18860 1 256 . 1 1 84 84 GLY C C 13 172.075 0.15 . 1 . . . . 84 GLY C . 18860 1 257 . 1 1 84 84 GLY CA C 13 44.968 0.15 . 1 . . . . 84 GLY CA . 18860 1 258 . 1 1 84 84 GLY N N 15 113.010 0.15 . 1 . . . . 84 GLY N . 18860 1 259 . 1 1 85 85 ALA C C 13 176.684 0.15 . 1 . . . . 85 ALA C . 18860 1 260 . 1 1 85 85 ALA CA C 13 50.089 0.15 . 1 . . . . 85 ALA CA . 18860 1 261 . 1 1 85 85 ALA CB C 13 22.614 0.15 . 1 . . . . 85 ALA CB . 18860 1 262 . 1 1 85 85 ALA N N 15 125.857 0.15 . 1 . . . . 85 ALA N . 18860 1 263 . 1 1 86 86 GLY C C 13 170.839 0.15 . 1 . . . . 86 GLY C . 18860 1 264 . 1 1 86 86 GLY CA C 13 45.287 0.15 . 1 . . . . 86 GLY CA . 18860 1 265 . 1 1 86 86 GLY N N 15 110.982 0.15 . 1 . . . . 86 GLY N . 18860 1 266 . 1 1 87 87 SER C C 13 174.808 0.15 . 1 . . . . 87 SER C . 18860 1 267 . 1 1 87 87 SER CA C 13 56.031 0.15 . 1 . . . . 87 SER CA . 18860 1 268 . 1 1 87 87 SER CB C 13 67.771 0.15 . 1 . . . . 87 SER CB . 18860 1 269 . 1 1 87 87 SER N N 15 116.891 0.177 . 1 . . . . 87 SER N . 18860 1 270 . 1 1 88 88 ILE C C 13 173.334 0.15 . 1 . . . . 88 ILE C . 18860 1 271 . 1 1 88 88 ILE CA C 13 60.856 0.15 . 1 . . . . 88 ILE CA . 18860 1 272 . 1 1 88 88 ILE CB C 13 43.124 0.15 . 1 . . . . 88 ILE CB . 18860 1 273 . 1 1 88 88 ILE CG1 C 13 28.093 0.15 . 1 . . . . 88 ILE CG1 . 18860 1 274 . 1 1 88 88 ILE CG2 C 13 16.797 0.15 . 1 . . . . 88 ILE CG2 . 18860 1 275 . 1 1 88 88 ILE CD1 C 13 13.953 0.15 . 1 . . . . 88 ILE CD1 . 18860 1 276 . 1 1 88 88 ILE N N 15 124.563 0.15 . 1 . . . . 88 ILE N . 18860 1 277 . 1 1 89 89 ALA C C 13 174.954 0.15 . 1 . . . . 89 ALA C . 18860 1 278 . 1 1 89 89 ALA CA C 13 50.113 0.15 . 1 . . . . 89 ALA CA . 18860 1 279 . 1 1 89 89 ALA CB C 13 21.791 0.15 . 1 . . . . 89 ALA CB . 18860 1 280 . 1 1 89 89 ALA N N 15 128.406 0.15 . 1 . . . . 89 ALA N . 18860 1 281 . 1 1 90 90 ALA C C 13 175.146 0.15 . 1 . . . . 90 ALA C . 18860 1 282 . 1 1 90 90 ALA CA C 13 49.857 0.15 . 1 . . . . 90 ALA CA . 18860 1 283 . 1 1 90 90 ALA CB C 13 21.104 0.15 . 1 . . . . 90 ALA CB . 18860 1 284 . 1 1 90 90 ALA N N 15 124.673 0.15 . 1 . . . . 90 ALA N . 18860 1 285 . 1 1 91 91 ALA C C 13 175.356 0.15 . 1 . . . . 91 ALA C . 18860 1 286 . 1 1 91 91 ALA CA C 13 50.285 0.15 . 1 . . . . 91 ALA CA . 18860 1 287 . 1 1 91 91 ALA CB C 13 22.939 0.15 . 1 . . . . 91 ALA CB . 18860 1 288 . 1 1 91 91 ALA N N 15 131.758 0.15 . 1 . . . . 91 ALA N . 18860 1 289 . 1 1 92 92 THR C C 13 174.573 0.15 . 1 . . . . 92 THR C . 18860 1 290 . 1 1 92 92 THR CA C 13 61.148 0.15 . 1 . . . . 92 THR CA . 18860 1 291 . 1 1 92 92 THR CB C 13 71.786 0.15 . 1 . . . . 92 THR CB . 18860 1 292 . 1 1 92 92 THR CG2 C 13 22.835 0.15 . 1 . . . . 92 THR CG2 . 18860 1 293 . 1 1 92 92 THR N N 15 122.596 0.15 . 1 . . . . 92 THR N . 18860 1 stop_ save_ ################################### # 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_ChainB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ChainB _Assigned_chem_shift_list.Entry_ID 18860 _Assigned_chem_shift_list.ID 2 _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 '2D DARR' . . . 18860 2 2 '2D NCA' . . . 18860 2 3 '2D NCO' . . . 18860 2 4 '3D NCACB' . . . 18860 2 5 '3D NCACO' . . . 18860 2 6 '3D CANCO' . . . 18860 2 7 '3D NCOCA' . . . 18860 2 8 '3D CCC' . . . 18860 2 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 . 2 1 42 42 SER C C 13 174.172 0.15 . 1 . . . . 42 SER C . 18860 2 2 . 2 1 42 42 SER CA C 13 55.326 0.15 . 1 . . . . 42 SER CA . 18860 2 3 . 2 1 42 42 SER CB C 13 66.452 0.15 . 1 . . . . 42 SER CB . 18860 2 4 . 2 1 42 42 SER N N 15 118.389 0.15 . 1 . . . . 42 SER N . 18860 2 5 . 2 1 79 79 GLN C C 13 176.525 0.15 . 1 . . . . 79 GLN C . 18860 2 6 . 2 1 79 79 GLN CA C 13 53.279 0.15 . 1 . . . . 79 GLN CA . 18860 2 7 . 2 1 79 79 GLN CB C 13 33.546 0.15 . 1 . . . . 79 GLN CB . 18860 2 8 . 2 1 79 79 GLN CG C 13 35.313 0.15 . 1 . . . . 79 GLN CG . 18860 2 9 . 2 1 79 79 GLN CD C 13 178.689 0.15 . 1 . . . . 79 GLN CD . 18860 2 10 . 2 1 79 79 GLN N N 15 122.293 0.15 . 1 . . . . 79 GLN N . 18860 2 11 . 2 1 79 79 GLN NE2 N 15 114.292 0.15 . 1 . . . . 79 GLN NE2 . 18860 2 12 . 2 1 80 80 LYS C C 13 175.254 0.15 . 1 . . . . 80 LYS C . 18860 2 13 . 2 1 80 80 LYS CA C 13 57.410 0.15 . 1 . . . . 80 LYS CA . 18860 2 14 . 2 1 80 80 LYS CB C 13 29.762 0.15 . 1 . . . . 80 LYS CB . 18860 2 15 . 2 1 80 80 LYS N N 15 132.277 0.241 . 1 . . . . 80 LYS N . 18860 2 16 . 2 1 81 81 THR C C 13 173.884 0.15 . 1 . . . . 81 THR C . 18860 2 17 . 2 1 81 81 THR CA C 13 61.099 0.15 . 1 . . . . 81 THR CA . 18860 2 18 . 2 1 81 81 THR CB C 13 74.065 0.15 . 1 . . . . 81 THR CB . 18860 2 19 . 2 1 81 81 THR CG2 C 13 21.209 0.15 . 1 . . . . 81 THR CG2 . 18860 2 20 . 2 1 81 81 THR N N 15 112.126 0.15 . 1 . . . . 81 THR N . 18860 2 21 . 2 1 82 82 VAL C C 13 173.836 0.15 . 1 . . . . 82 VAL C . 18860 2 22 . 2 1 82 82 VAL CA C 13 66.029 0.15 . 1 . . . . 82 VAL CA . 18860 2 23 . 2 1 82 82 VAL CB C 13 28.299 0.15 . 1 . . . . 82 VAL CB . 18860 2 24 . 2 1 82 82 VAL CG1 C 13 22.846 0.15 . 2 . . . . 82 VAL CG1 . 18860 2 25 . 2 1 82 82 VAL CG2 C 13 23.638 0.15 . 2 . . . . 82 VAL CG2 . 18860 2 26 . 2 1 82 82 VAL N N 15 122.431 0.15 . 1 . . . . 82 VAL N . 18860 2 27 . 2 1 83 83 GLU C C 13 175.986 0.15 . 1 . . . . 83 GLU C . 18860 2 28 . 2 1 83 83 GLU CA C 13 54.172 0.15 . 1 . . . . 83 GLU CA . 18860 2 29 . 2 1 83 83 GLU N N 15 121.434 0.167 . 1 . . . . 83 GLU N . 18860 2 30 . 2 1 84 84 GLY C C 13 172.019 0.15 . 1 . . . . 84 GLY C . 18860 2 31 . 2 1 84 84 GLY CA C 13 44.889 0.15 . 1 . . . . 84 GLY CA . 18860 2 32 . 2 1 84 84 GLY N N 15 113.371 0.15 . 1 . . . . 84 GLY N . 18860 2 33 . 2 1 85 85 ALA C C 13 177.225 0.15 . 1 . . . . 85 ALA C . 18860 2 34 . 2 1 85 85 ALA CA C 13 49.828 0.15 . 1 . . . . 85 ALA CA . 18860 2 35 . 2 1 85 85 ALA CB C 13 24.022 0.15 . 1 . . . . 85 ALA CB . 18860 2 36 . 2 1 85 85 ALA N N 15 125.044 0.15 . 1 . . . . 85 ALA N . 18860 2 37 . 2 1 86 86 GLY C C 13 172.030 0.15 . 1 . . . . 86 GLY C . 18860 2 38 . 2 1 86 86 GLY CA C 13 44.743 0.15 . 1 . . . . 86 GLY CA . 18860 2 39 . 2 1 86 86 GLY N N 15 113.098 0.15 . 1 . . . . 86 GLY N . 18860 2 40 . 2 1 87 87 SER C C 13 174.853 0.15 . 1 . . . . 87 SER C . 18860 2 41 . 2 1 87 87 SER CA C 13 55.862 0.15 . 1 . . . . 87 SER CA . 18860 2 42 . 2 1 87 87 SER CB C 13 66.204 0.15 . 1 . . . . 87 SER CB . 18860 2 43 . 2 1 87 87 SER N N 15 113.914 0.15 . 1 . . . . 87 SER N . 18860 2 44 . 2 1 88 88 ILE C C 13 173.736 0.15 . 1 . . . . 88 ILE C . 18860 2 45 . 2 1 88 88 ILE CA C 13 60.751 0.15 . 1 . . . . 88 ILE CA . 18860 2 46 . 2 1 88 88 ILE CB C 13 42.525 0.15 . 1 . . . . 88 ILE CB . 18860 2 47 . 2 1 88 88 ILE CG1 C 13 28.104 0.15 . 1 . . . . 88 ILE CG1 . 18860 2 48 . 2 1 88 88 ILE CG2 C 13 16.984 0.15 . 1 . . . . 88 ILE CG2 . 18860 2 49 . 2 1 88 88 ILE CD1 C 13 13.969 0.15 . 1 . . . . 88 ILE CD1 . 18860 2 50 . 2 1 88 88 ILE N N 15 128.732 0.15 . 1 . . . . 88 ILE N . 18860 2 51 . 2 1 89 89 ALA C C 13 175.164 0.15 . 1 . . . . 89 ALA C . 18860 2 52 . 2 1 89 89 ALA CA C 13 50.173 0.15 . 1 . . . . 89 ALA CA . 18860 2 53 . 2 1 89 89 ALA CB C 13 21.058 0.15 . 1 . . . . 89 ALA CB . 18860 2 54 . 2 1 89 89 ALA N N 15 132.065 0.158 . 1 . . . . 89 ALA N . 18860 2 55 . 2 1 90 90 ALA C C 13 175.297 0.15 . 1 . . . . 90 ALA C . 18860 2 56 . 2 1 90 90 ALA CA C 13 50.197 0.15 . 1 . . . . 90 ALA CA . 18860 2 57 . 2 1 90 90 ALA CB C 13 21.057 0.15 . 1 . . . . 90 ALA CB . 18860 2 58 . 2 1 90 90 ALA N N 15 123.596 0.15 . 1 . . . . 90 ALA N . 18860 2 59 . 2 1 91 91 ALA C C 13 176.373 0.15 . 1 . . . . 91 ALA C . 18860 2 60 . 2 1 91 91 ALA CA C 13 50.931 0.15 . 1 . . . . 91 ALA CA . 18860 2 61 . 2 1 91 91 ALA CB C 13 22.155 0.15 . 1 . . . . 91 ALA CB . 18860 2 62 . 2 1 91 91 ALA N N 15 132.481 0.15 . 1 . . . . 91 ALA N . 18860 2 63 . 2 1 92 92 THR C C 13 174.530 0.15 . 1 . . . . 92 THR C . 18860 2 64 . 2 1 92 92 THR CA C 13 61.002 0.15 . 1 . . . . 92 THR CA . 18860 2 65 . 2 1 92 92 THR CB C 13 71.494 0.15 . 1 . . . . 92 THR CB . 18860 2 66 . 2 1 92 92 THR CG2 C 13 22.558 0.15 . 1 . . . . 92 THR CG2 . 18860 2 67 . 2 1 92 92 THR N N 15 121.814 0.15 . 1 . . . . 92 THR N . 18860 2 68 . 2 1 93 93 GLY C C 13 171.668 0.15 . 1 . . . . 93 GLY C . 18860 2 69 . 2 1 93 93 GLY CA C 13 49.079 0.15 . 1 . . . . 93 GLY CA . 18860 2 70 . 2 1 93 93 GLY N N 15 117.295 0.199 . 1 . . . . 93 GLY N . 18860 2 71 . 2 1 94 94 PHE C C 13 175.118 0.15 . 1 . . . . 94 PHE C . 18860 2 72 . 2 1 94 94 PHE CA C 13 56.287 0.15 . 1 . . . . 94 PHE CA . 18860 2 73 . 2 1 94 94 PHE CB C 13 41.240 0.15 . 1 . . . . 94 PHE CB . 18860 2 74 . 2 1 94 94 PHE N N 15 126.146 0.156 . 1 . . . . 94 PHE N . 18860 2 stop_ save_